A0A3Q0KRH7_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KRH7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 831 aa.

						>A0A3Q0KRH7_SCHMA|A0A3Q0KRH7
MSTYSKLYSILKSPDKLKIPSVDSHMDKNPVVPAKRLHTEGILWQCWECGKSYETGFRLSEHLQNCKKDDEVCEQLPGCPFCPRVINQSNDAPFHIHSFNTHVHRFHPEIKSYMCSYCLNLIQSCKIEDLVSHIINIHKIPWRPSPASLAHLRENQLPHRVVTCLGCGWCTFVLRANNAAQPPTSLETHMNRCSFNGGQVHLTRLSEETCMSTLEKYKVLQESELISTTFARSFPHVRGFTGNSGLSNSPFRFHRYSGNTASRATDNDGNAPNTISNKISRLSTDHNNDKLSIKQKSKLETVLEKSDFQQKETFFDIPLTIPPPPPSSRTTTSQIKKKPTVGRLFVCPLCGDNALSSLRERDEHLQSSHNGELVFPCQICGMAYPLYIALRRHAALQHDSDFDTVRYGPSDLLECEPIECPECHLVAFQDSLVLKLHINRVHKKLQQNITPTSNDSQPVEDIEVSSKPPKISKTKSTNPSIQKKTSTKTTRRRDATPIVNRSRTQSKINKPKVKHKLSIIGGESDILTDSTTTTTNNNNNHPNPVSLQDTNSSEFERMLSSIDGKSAPASCRYCHIEVDNLKELHLHLELEHLNPDNDIEQLGCQACGRVFFGSGGRIDLIGHLRTLHQDDFLQNVLKCPRTEKLGQDSSNTDNDNHTCHESTKSCKAHFSSPRLRQLHISMTNNTTTNNNNNSSILSNSQFSCPILFNEKDYLSDQIKNLILHTEIAADQSGLMILAYCCPNCSRLFVGDNVHTRFESHRSICEAVAATTTTSDNMEESIHPMESDQSIASSPNSTEASDLPCSNVDLHLESLEPVKTSNDKYIDESQTS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.7	Very low	26.7	Very low	243 Å²	243	162.1 Å²	162.1	100%	1.197	84%	0.842	S	S	*	*				0	108.3	0	-64	171.4	174.8	0	0	105.8
2	S	26.8	Very low	26.9	Very low	101 Å²	101	165 Å²	165	71%	0.706	84%	0.843	S	S	*	*			cis	82.1	73.5	41.8	-157.8	0	0	0	0	113.7
3	T	31.6	Very low	26.9	Very low	143 Å²	143	161.7 Å²	161.7	88%	0.877	84%	0.844	S	S	*	*			trans	-124.9	78.1	161.1	49.8	0	0	0	0	108.4
4	Y	23.6	Very low	27.2	Very low	209 Å²	209	157.4 Å²	157.4	82%	0.82	83%	0.831	S	S	*	*			trans	-67	168	168.4	-93.9	-94.2	0	0	0	111.3
5	S	25.7	Very low	27.4	Very low	108 Å²	108	157.9 Å²	157.9	76%	0.755	83%	0.834	S	S	*	*			trans	80.4	97.8	160.1	-54.4	0	0	0	0	118.6
6	K	26.3	Very low	27.6	Very low	207 Å²	207	160.6 Å²	160.6	90%	0.9	84%	0.836	S	S	*	*			trans	-160	21.5	140.8	-114.6	160.8	-169.5	174.6	0	118.8
7	L	26	Very low	27.8	Very low	163 Å²	163	161.5 Å²	161.5	85%	0.853	84%	0.841	S	S	*	*			trans	-123.6	70.8	171.8	-75.3	178.1	0	0	0	113.4
8	Y	26.3	Very low	27.9	Very low	184 Å²	184	164 Å²	164	72%	0.722	85%	0.845	S	S	*	*			trans	-150.4	112.8	163.6	-99	-79.1	0	0	0	110.6
9	S	25.9	Very low	27.9	Very low	126 Å²	126	164 Å²	164	88%	0.881	85%	0.845	S	S	*	*			trans	-165	49.4	159.6	-83.6	0	0	0	0	111.7	L11	S9-L11 PolarHBondContact O-N 3.04Å
10	I	27	Very low	28	Very low	140 Å²	140	161.6 Å²	161.6	72%	0.718	84%	0.84	S	S	*	*			trans	-84.1	105	170.2	-61.2	175.4	0	0	0	108.8
11	L	26.7	Very low	27.9	Very low	159 Å²	159	159.2 Å²	159.2	83%	0.832	84%	0.837	S	S	*	*	S	Bend	trans	64.9	126.8	165.1	-57	169.3	0	0	0	117.6	S9	S9-L11 PolarHBondContact O-N 3.04Å
12	K	29.4	Very low	28.1	Very low	197 Å²	197	153.5 Å²	153.5	86%	0.857	82%	0.816	S	S	*	*			trans	78.3	111.7	-178	-59.8	-173.8	174.8	-172.5	0	116.9
13	S	27.2	Very low	28.1	Very low	122 Å²	122	155.2 Å²	155.2	85%	0.853	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-82.6	119.3	132	44.5	0	0	0	0	108.9
14	P	30	Very low	28	Very low	101 Å²	101	153.7 Å²	153.7	66%	0.656	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-84.7	160.7	162.1	34.8	-32.6	0	0	0	110.7	K16	P14-K16 PolarHBondContact O-N 3.49Å
15	D	31.1	Very low	28.4	Very low	165 Å²	165	151.4 Å²	151.4	88%	0.882	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-63.2	125.6	-175.7	-49.3	-89.6	0	0	0	113.4
16	K	30.8	Very low	28.8	Very low	201 Å²	201	153 Å²	153	87%	0.874	81%	0.805	S	S	*	*			trans	-148.7	76.1	164.5	-77.6	-162.2	177.6	178.8	0	112.7	P14	P14-K16 PolarHBondContact O-N 3.49Å
17	L	31	Very low	29	Very low	176 Å²	176	148.8 Å²	148.8	92%	0.921	79%	0.793	S	S	*	*			trans	-129.8	142.1	150	-80.7	178.9	0	0	0	109.5
18	K	29.6	Very low	29.2	Very low	207 Å²	207	148.8 Å²	148.8	90%	0.9	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-84.5	134.1	-172.3	-60.5	176.1	-178.3	177.3	0	110.1
19	I	28.3	Very low	29.4	Very low	164 Å²	164	147 Å²	147	84%	0.841	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-103.3	117.6	169	-60.3	173.8	0	0	0	107.9
20	P	28.6	Very low	29.5	Very low	115 Å²	115	147 Å²	147	75%	0.747	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-71.1	150	168.2	-15	30.8	0	0	0	111.3
21	S	26.1	Very low	29.9	Very low	113 Å²	113	147.1 Å²	147.1	79%	0.79	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-74	141.6	168.6	51.8	0	0	0	0	111.9
22	V	31.9	Very low	30.2	Very low	122 Å²	122	145.1 Å²	145.1	74%	0.739	79%	0.787	S	S	*	*				-177.9	121.8	119.2	147.9	0	0	0	0	110.4
23	D	27	Very low	30.3	Very low	138 Å²	138	141.4 Å²	141.4	74%	0.738	78%	0.783	S	S	*	*			trans	33.8	116.3	147.2	-51	-30.9	0	0	0	123.3
24	S	28.7	Very low	30.4	Very low	110 Å²	110	140 Å²	140	77%	0.769	78%	0.779	S	S	*	*				106.9	142.3	118	77.2	0	0	0	0	121.4
25	H	33.9	Very low	30.5	Very low	161 Å²	161	145 Å²	145	75%	0.745	79%	0.79	S	S	*	*			trans	72.2	112	158.3	-96.7	-113.6	0	0	0	121.7
26	M	33.4	Very low	30.5	Very low	141 Å²	141	148.9 Å²	148.9	70%	0.695	79%	0.793	S	S	*	*			trans	89.2	80.6	143.9	-53.6	-62.3	89.1	0	0	121.2
27	D	29.4	Very low	30.5	Very low	119 Å²	119	146.8 Å²	146.8	64%	0.636	79%	0.79	S	S	*	*				91	145.7	110.2	-158.7	19	0	0	0	120.3
28	K	31.9	Very low	30.3	Very low	163 Å²	163	147.5 Å²	147.5	71%	0.709	79%	0.788	S	S	*	*			trans	68.7	80.4	174	-70.1	128.7	-175.8	151.6	0	120.2
29	N	30	Very low	30.4	Very low	148 Å²	148	143.6 Å²	143.6	79%	0.791	78%	0.782	S	S	*	*			trans	63.6	86.1	134.5	-62.5	-13.6	0	0	0	121.3
30	P	28.7	Very low	30.5	Very low	124 Å²	124	145.9 Å²	145.9	81%	0.805	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-88.5	118.6	151.6	33.3	-27.8	0	0	0	111.2	V32	P30-V32 PolarHBondContact O-N 3.36Å
31	V	35.1	Very low	31.3	Very low	143 Å²	143	143.4 Å²	143.4	87%	0.867	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-78.7	119.8	176.4	178.4	0	0	0	0	110.6
32	V	33.2	Very low	32.6	Very low	118 Å²	118	144.4 Å²	144.4	72%	0.715	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-57	140.1	-177.6	177.9	0	0	0	0	112.1	P30 A34	P30-V32 PolarHBondContact O-N 3.36Å; V32-A34 PolarHBondContact O-N 2.97Å
33	P	29.7	Very low	34.6	Very low	119 Å²	119	144.4 Å²	144.4	77%	0.773	78%	0.775	S	S	*	*			trans	-64.3	103.4	174.9	26.3	-35.1	0	0	0	111.4	K35	P33-K35 PolarHBondContact O-N 3.04Å
34	A	30.5	Very low	36.9	Very low	92 Å²	92	139.3 Å²	139.3	76%	0.76	75%	0.745	S	S	*	*			trans	-63.2	128.2	179.7	0	0	0	0	0	111.7	V32 R36	V32-A34 PolarHBondContact O-N 2.97Å; A34-R36 PolarHBondContact O-N 3.3Å
35	K	31.1	Very low	39.4	Very low	206 Å²	206	138.9 Å²	138.9	90%	0.896	73%	0.731	S	S	*	*			trans	-58.4	135.4	170.8	-64.3	169.5	-177.8	171.1	0	108.7	P33 L37	P33-K35 PolarHBondContact O-N 3.04Å; K35-L37 PolarHBondContact O-N 3.22Å
36	R	31.9	Very low	41.9	Very low	247 Å²	247	131.3 Å²	131.3	93%	0.932	70%	0.696	S	S	*	*			trans	-64.5	96.6	179.4	-67.8	-175.9	-173.9	168.9	1.4	111	A34	A34-R36 PolarHBondContact O-N 3.3Å
37	L	29.8	Very low	44.2	Very low	156 Å²	156	126.2 Å²	126.2	82%	0.817	67%	0.669	S	S	*	*			trans	-66.6	146.5	162.7	-154.4	71.2	0	0	0	108.7	K35 T39	K35-L37 PolarHBondContact O-N 3.22Å; L37-T39 PolarHBondContact O-N 3.26Å
38	H	27	Very low	46.8	Very low	191 Å²	191	121 Å²	121	88%	0.884	64%	0.64	S	S	*	*			trans	-77.2	106.6	177	-94.3	53	0	0	0	110.6
39	T	31.6	Very low	49.4	Very low	125 Å²	125	115.7 Å²	115.7	77%	0.767	62%	0.623	S	S	*	*			trans	-140.5	150.4	157.6	44.8	0	0	0	0	109.4	L37 G41	L37-T39 PolarHBondContact O-N 3.26Å; T39-G41 PolarHBondContact O-N 2.98Å
40	E	31.1	Very low	51.9	Low	213 Å²	213	110.2 Å²	110.2	100%	0.995	60%	0.602	S	S	*	*	S	Bend	trans	-87	98	-163.7	-61.7	176.1	134.7	0	0	111.9
41	G	44.4	Very low	54.5	Low	62 Å²	62	110 Å²	110	64%	0.639	59%	0.589	S	S	*	*			trans	-174.2	134.7	174.4	0	0	0	0	0	114	T39 L43	T39-G41 PolarHBondContact O-N 2.98Å; G41-L43 PolarHBondContact O-N 3.18Å
42	I	54.9	Low	56.9	Low	135 Å²	135	106.4 Å²	106.4	69%	0.692	57%	0.57	S	S	*	*			trans	-82.5	98.6	173.7	-58.8	177	0	0	0	108.6	W44	I42-W44 PolarHBondContact O-NE1 3.42Å
43	L	72.5	Confident	59.4	Low	122 Å²	122	103.5 Å²	103.5	64%	0.639	55%	0.546	S	S	*	.			trans	-71	130.8	172.7	-66.2	173.5	0	0	0	111	G41	G41-L43 PolarHBondContact O-N 3.18Å
44	W	76.8	Confident	61.8	Low	30 Å²	30	106.1 Å²	106.1	11%	0.114	55%	0.548	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	101.7	-175.9	-70	82.3	0	0	0	110.8	I42 S52 Y53 T55 G56 L59 I135 K139 P141	I42-W44 PolarHBondContact O-NE1 3.42Å; W44-S52 CarbonylContact O-C 3.58Å; W44-S52 WeakPolarHBondContact O-CA 3.45Å; W44-Y53 WeakPolarHBondContact CB-O 3.4Å; W44-Y53 PolarHBondContact N-O 2.77Å; W44-Y53 PolarHBondContact O-N 2.94Å; W44-T55 VanDerWaalsContact CD1-C 3.49Å; W44-G56 VanDerWaalsContact CD2-CA 3.45Å; W44-L59 HydrophobicContact CB-CB 4.05Å; W44-L59 HydrophobicContact CB-CD2 3.95Å; W44-L59 HydrophobicContact CE3-CD2 4.15Å; W44-I135 HydrophobicContact CE3-CG2 4.05Å; W44-I135 HydrophobicContact CH2-CG2 4.36Å; W44-I135 HydrophobicContact CZ3-CB 4.38Å; W44-I135 HydrophobicContact CZ3-CG1 4.24Å; W44-I135 HydrophobicContact CZ3-CG2 3.74Å; W44-K139 WeakPolarHBondContact CH2-O 3.35Å; W44-P141 HydrophobicContact CE3-CB 4.29Å; W44-P141 HydrophobicContact CZ3-CB 4.04Å
45	Q	80.3	Confident	64.3	Low	102 Å²	102	104.9 Å²	104.9	48%	0.477	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.6	-174.4	-161.8	-179.6	22	0	0	113.3	G50 K51	Q45-G50 VanDerWaalsContact CG-O 3.29Å; Q45-G50 WeakPolarHBondContact CG-O 3.43Å; Q45-G50 PolarHBondContact NE2-O 3.26Å; Q45-K51 WeakPolarHBondContact CA-O 3.31Å
46	C	85.7	Confident	66.7	Low	1 Å²	1	95.5 Å²	95.5	1%	0.007	49%	0.493	C	S	.	.			trans	-64.8	134.5	169.3	179	0	0	0	0	111.1	G50 K51 L59 H62	C46-G50 WeakPolarHBondContact O-CA 3.44Å; C46-G50 PolarHBondContact O-N 2.86Å; C46-G50 VanDerWaalsContact O-N 3.11Å; C46-K51 PolarHBondContact N-O 3.48Å; C46-L59 HydrophobicContact CB-CD1 3.67Å; C46-H62 PolarHBondContact SG-NE2 3.01Å
47	W	83.7	Confident	69.3	Low	34 Å²	34	89.8 Å²	89.8	13%	0.129	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-22.8	-179.3	70.9	89.5	0	0	0	113.9	L63 P93 F94 I96 V131 R143 P144	W47-L63 HydrophobicContact CE3-CD2 4.17Å; W47-L63 HydrophobicContact CH2-CD1 4.02Å; W47-L63 HydrophobicContact CH2-CD2 3.76Å; W47-L63 HydrophobicContact CZ2-CD2 4.41Å; W47-L63 HydrophobicContact CZ3-CD1 3.64Å; W47-L63 HydrophobicContact CZ3-CD2 3.64Å; W47-L63 HydrophobicContact CZ3-CG 4.32Å; W47-P93 HydrophobicContact CG-CB 4.48Å; W47-P93 HydrophobicContact CG-CG 4.27Å; W47-F94 PolarHBondContact NE1-O 3.08Å; W47-I96 HydrophobicContact CH2-CD1 4.08Å; W47-I96 HydrophobicContact CH2-CG1 4.42Å; W47-I96 HydrophobicContact CZ2-CD1 3.97Å; W47-I96 HydrophobicContact CZ2-CG1 3.93Å; W47-V131 HydrophobicContact CH2-CB 4.46Å; W47-V131 HydrophobicContact CH2-CG1 3.87Å; W47-V131 HydrophobicContact CH2-CG2 3.85Å; W47-V131 HydrophobicContact CZ3-CG1 3.93Å; W47-R143 HydrophobicContact CB-CG 4.23Å; W47-R143 HydrophobicContact CD2-CB 4.31Å; W47-R143 HydrophobicContact CD2-CG 3.98Å; W47-R143 HydrophobicContact CE3-CB 4.41Å; W47-R143 HydrophobicContact CE3-CG 3.85Å; W47-R143 HydrophobicContact CG-CG 4.15Å; W47-P144 VanDerWaalsContact CZ2-CD 3.43Å; W47-P144 HydrophobicContact CZ2-CG 3.91Å
48	E	82.6	Confident	72.1	Confident	9 Å²	9	88.5 Å²	88.5	4%	0.042	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-46.6	-176.6	-58.5	-174.8	148.7	0	0	112	C66 K68 H95 I96	E48-C66 WeakPolarHBondContact OE2-CB 3.44Å; E48-C66 PolarHBondContact OE2-SG 2.93Å; E48-K68 WeakPolarHBondContact O-CD 3.25Å; E48-K68 PolarHBondContact O-NZ 2.98Å; E48-H95 WeakPolarHBondContact OE1-CA 3.39Å; E48-I96 WeakPolarHBondContact OE1-CB 3.36Å; E48-I96 VanDerWaalsContact OE1-CG1 3.31Å; E48-I96 WeakPolarHBondContact OE1-CG1 3.47Å; E48-I96 PolarHBondContact OE1-N 3.38Å
49	C	86	Confident	74.9	Confident	52 Å²	52	79.6 Å²	79.6	35%	0.351	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	0.6	-176.3	76.7	0	0	0	0	115	K51 H62	C49-K51 PolarHBondContact O-N 3.39Å; C49-K51 VanDerWaalsContact O-N 3.16Å; C49-H62 VanDerWaalsContact SG-CE1 3.59Å; C49-H62 PolarHBondContact SG-NE2 2.8Å
50	G	82.4	Confident	77.6	Confident	34 Å²	34	73.9 Å²	73.9	35%	0.351	38%	0.384	S	S	.	.			trans	74.7	-2.8	173.8	0	0	0	0	0	116.7	Q45 C46	Q45-G50 VanDerWaalsContact CG-O 3.29Å; Q45-G50 WeakPolarHBondContact CG-O 3.43Å; Q45-G50 PolarHBondContact NE2-O 3.26Å; C46-G50 WeakPolarHBondContact O-CA 3.44Å; C46-G50 PolarHBondContact O-N 2.86Å; C46-G50 VanDerWaalsContact O-N 3.11Å
51	K	85.1	Confident	80.3	Confident	119 Å²	119	67.8 Å²	67.8	52%	0.517	36%	0.355	S	S	.	.			trans	-62.3	139.1	178.6	-69	175.1	-172.8	171.6	0	111.9	Q45 C46 C49 Y53	Q45-K51 WeakPolarHBondContact CA-O 3.31Å; C46-K51 PolarHBondContact N-O 3.48Å; C49-K51 PolarHBondContact O-N 3.39Å; C49-K51 VanDerWaalsContact O-N 3.16Å; K51-Y53 HydrophobicContact CB-CE2 3.7Å
52	S	85	Confident	82.5	Confident	68 Å²	68	65.9 Å²	65.9	48%	0.476	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	143.5	-179.8	-64.6	0	0	0	0	111.9	W44	W44-S52 CarbonylContact O-C 3.58Å; W44-S52 WeakPolarHBondContact O-CA 3.45Å
53	Y	85.1	Confident	84	Confident	56 Å²	56	59.6 Å²	59.6	22%	0.22	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	149.2	-177.5	-63.3	-86.3	0	0	0	111.3	W44 K51 T55 R58 L59 H62	W44-Y53 WeakPolarHBondContact CB-O 3.4Å; W44-Y53 PolarHBondContact N-O 2.77Å; W44-Y53 PolarHBondContact O-N 2.94Å; K51-Y53 HydrophobicContact CB-CE2 3.7Å; Y53-T55 VanDerWaalsContact C-N 3.28Å; Y53-T55 PolarHBondContact O-N 2.95Å; Y53-R58 HydrophobicContact CD1-CB 3.78Å; Y53-R58 HydrophobicContact CG-CB 4.16Å; Y53-L59 HydrophobicContact CD2-CB 4.15Å; Y53-L59 HydrophobicContact CD2-CD1 3.93Å; Y53-L59 HydrophobicContact CE2-CD1 4.23Å; Y53-L59 HydrophobicContact CG-CB 4.44Å; Y53-H62 HydrophobicContact CE1-CB 4.17Å; Y53-H62 HydrophobicContact CE2-CB 3.94Å; Y53-H62 AromaticContact CE2-CD2 3.36Å; Y53-H62 WeakPolarHBondContact CE2-CD2 3.43Å; Y53-H62 AromaticContact CE2-CG 3.79Å; Y53-H62 AromaticContact CZ-CD2 3.66Å; Y53-H62 AromaticContact CZ-CG 3.6Å; Y53-H62 PolarHBondContact OH-CD2 3.18Å
54	E	80.6	Confident	84.6	Confident	174 Å²	174	58.6 Å²	58.6	81%	0.813	29%	0.29	S	S	*	.	S	Bend	trans	-68.6	-27.1	179.5	-64.4	161.9	-174.7	0	0	112.7
55	T	82.8	Confident	84.9	Confident	66 Å²	66	62.8 Å²	62.8	41%	0.405	31%	0.314	S	S	.	.	S	Bend	trans	-139.5	150.5	-176.6	63.2	0	0	0	0	111.8	W44 Y53 F57 R58 L59	W44-T55 VanDerWaalsContact CD1-C 3.49Å; Y53-T55 VanDerWaalsContact C-N 3.28Å; Y53-T55 PolarHBondContact O-N 2.95Å; T55-F57 PolarHBondContact O-N 3.34Å; T55-R58 PolarHBondContact O-N 3.3Å; T55-R58 WeakPolarHBondContact OG1-CG 3.37Å; T55-R58 PolarHBondContact OG1-N 3.48Å; T55-L59 PolarHBondContact O-N 2.84Å
56	G	82.1	Confident	85	Confident	9 Å²	9	58.9 Å²	58.9	9%	0.093	30%	0.298	C	S	.	.	H	α-helix	trans	-58.5	-32.6	174.7	0	0	0	0	0	113.3	W44 L59 S60 I135	W44-G56 VanDerWaalsContact CD2-CA 3.45Å; G56-L59 WeakPolarHBondContact O-CB 3.49Å; G56-L59 PolarHBondContact O-N 3.02Å; G56-S60 PolarHBondContact O-N 3.28Å; G56-S60 PolarHBondContact O-OG 3.02Å; G56-I135 VanDerWaalsContact C-CG2 3.47Å; G56-I135 WeakPolarHBondContact O-CG2 3.23Å
57	F	86.9	Confident	84.2	Confident	127 Å²	127	68.3 Å²	68.3	56%	0.557	34%	0.339	S	S	*	.	H	α-helix	trans	-61.1	-47	177	-177.1	-95.7	0	0	0	112.1	T55 L59 S60 E61 N136	T55-F57 PolarHBondContact O-N 3.34Å; F57-L59 VanDerWaalsContact C-N 3.29Å; F57-L59 PolarHBondContact O-N 2.93Å; F57-S60 WeakPolarHBondContact CA-OG 3.42Å; F57-S60 PolarHBondContact O-N 3.18Å; F57-S60 VanDerWaalsContact O-N 3.15Å; F57-S60 PolarHBondContact O-OG 3.39Å; F57-E61 PolarHBondContact O-N 2.86Å; F57-N136 VanDerWaalsContact CA-OD1 3.32Å; F57-N136 WeakPolarHBondContact CA-OD1 3.41Å
58	R	87.8	Confident	83.3	Confident	130 Å²	130	71.2 Å²	71.2	49%	0.491	35%	0.352	S	S	.	.	H	α-helix	trans	-63.1	-34.6	174.7	-71.2	-61	-158.9	178.7	3.5	112.5	Y53 T55 E61 H62	Y53-R58 HydrophobicContact CD1-CB 3.78Å; Y53-R58 HydrophobicContact CG-CB 4.16Å; T55-R58 PolarHBondContact O-N 3.3Å; T55-R58 WeakPolarHBondContact OG1-CG 3.37Å; T55-R58 PolarHBondContact OG1-N 3.48Å; R58-E61 WeakPolarHBondContact CD-OE2 3.23Å; R58-E61 IonicContact CZ-OE2 3.66Å; R58-E61 IonicContact NE-OE2 3.78Å; R58-E61 IonicContact NH1-OE1 3.4Å; R58-E61 PolarHBondContact NH1-OE1 3.25Å; R58-E61 IonicContact NH1-OE2 2.74Å; R58-E61 PolarHBondContact NH1-OE2 3.15Å; R58-H62 WeakPolarHBondContact O-CB 3.32Å; R58-H62 PolarHBondContact O-N 3.23Å
59	L	86.4	Confident	82	Confident	4 Å²	4	79 Å²	79	2%	0.021	39%	0.394	C	S	.	.	H	α-helix	trans	-65.9	-43	171.8	177	59.1	0	0	0	111.7	W44 C46 Y53 T55 G56 F57 H62 L63 I135	W44-L59 HydrophobicContact CB-CB 4.05Å; W44-L59 HydrophobicContact CB-CD2 3.95Å; W44-L59 HydrophobicContact CE3-CD2 4.15Å; C46-L59 HydrophobicContact CB-CD1 3.67Å; Y53-L59 HydrophobicContact CD2-CB 4.15Å; Y53-L59 HydrophobicContact CD2-CD1 3.93Å; Y53-L59 HydrophobicContact CE2-CD1 4.23Å; Y53-L59 HydrophobicContact CG-CB 4.44Å; T55-L59 PolarHBondContact O-N 2.84Å; G56-L59 WeakPolarHBondContact O-CB 3.49Å; G56-L59 PolarHBondContact O-N 3.02Å; F57-L59 VanDerWaalsContact C-N 3.29Å; F57-L59 PolarHBondContact O-N 2.93Å; L59-H62 PolarHBondContact O-N 2.93Å; L59-L63 HydrophobicContact CD1-CD1 3.97Å; L59-L63 HydrophobicContact CD1-CD2 4.38Å; L59-L63 HydrophobicContact CD1-CG 3.92Å; L59-L63 HydrophobicContact CD2-CD1 4.5Å; L59-L63 HydrophobicContact CG-CD1 3.82Å; L59-L63 HydrophobicContact CG-CG 4.27Å; L59-L63 VanDerWaalsContact O-CG 3.24Å; L59-L63 WeakPolarHBondContact O-CG 3.4Å; L59-L63 PolarHBondContact O-N 3.46Å; L59-I135 HydrophobicContact CD2-CD1 3.92Å; L59-I135 HydrophobicContact CG-CD1 4.15Å
60	S	87	Confident	80.7	Confident	5 Å²	5	78.3 Å²	78.3	4%	0.035	39%	0.387	C	S	.	.	H	α-helix	trans	-64.8	-41.8	176.3	47.8	0	0	0	0	113.5	G56 F57 H62 L63 Q64 S132 N136	G56-S60 PolarHBondContact O-N 3.28Å; G56-S60 PolarHBondContact O-OG 3.02Å; F57-S60 WeakPolarHBondContact CA-OG 3.42Å; F57-S60 PolarHBondContact O-N 3.18Å; F57-S60 VanDerWaalsContact O-N 3.15Å; F57-S60 PolarHBondContact O-OG 3.39Å; S60-H62 VanDerWaalsContact C-N 3.27Å; S60-H62 PolarHBondContact O-N 2.95Å; S60-L63 PolarHBondContact O-N 3.39Å; S60-Q64 PolarHBondContact O-N 3.11Å; S60-S132 WeakPolarHBondContact CB-OG 3.43Å; S60-N136 WeakPolarHBondContact CB-ND2 3.48Å; S60-N136 PolarHBondContact OG-ND2 2.87Å
61	E	89.1	Confident	79.6	Confident	84 Å²	84	85.5 Å²	85.5	39%	0.393	41%	0.411	S	S	.	.	H	α-helix	trans	-57.6	-40.4	173.4	176.6	-177.6	-130.3	0	0	111.5	F57 R58 N65	F57-E61 PolarHBondContact O-N 2.86Å; R58-E61 WeakPolarHBondContact CD-OE2 3.23Å; R58-E61 IonicContact CZ-OE2 3.66Å; R58-E61 IonicContact NE-OE2 3.78Å; R58-E61 IonicContact NH1-OE1 3.4Å; R58-E61 PolarHBondContact NH1-OE1 3.25Å; R58-E61 IonicContact NH1-OE2 2.74Å; R58-E61 PolarHBondContact NH1-OE2 3.15Å; E61-N65 PolarHBondContact O-ND2 3.12Å
62	H	89.6	Confident	78.3	Confident	23 Å²	23	82.8 Å²	82.8	11%	0.106	41%	0.405	C	S	.	.	H	α-helix	trans	-68.3	-46	173.4	165.8	41.8	0	0	0	112.9	C46 C49 Y53 R58 L59 S60 Q64 N65 C66	C46-H62 PolarHBondContact SG-NE2 3.01Å; C49-H62 VanDerWaalsContact SG-CE1 3.59Å; C49-H62 PolarHBondContact SG-NE2 2.8Å; Y53-H62 HydrophobicContact CE1-CB 4.17Å; Y53-H62 HydrophobicContact CE2-CB 3.94Å; Y53-H62 AromaticContact CE2-CD2 3.36Å; Y53-H62 WeakPolarHBondContact CE2-CD2 3.43Å; Y53-H62 AromaticContact CE2-CG 3.79Å; Y53-H62 AromaticContact CZ-CD2 3.66Å; Y53-H62 AromaticContact CZ-CG 3.6Å; Y53-H62 PolarHBondContact OH-CD2 3.18Å; R58-H62 WeakPolarHBondContact O-CB 3.32Å; R58-H62 PolarHBondContact O-N 3.23Å; L59-H62 PolarHBondContact O-N 2.93Å; S60-H62 VanDerWaalsContact C-N 3.27Å; S60-H62 PolarHBondContact O-N 2.95Å; H62-Q64 VanDerWaalsContact C-N 3.31Å; H62-Q64 PolarHBondContact O-N 3.15Å; H62-N65 CarbonylContact O-C 3.24Å; H62-N65 VanDerWaalsContact O-C 3.24Å; H62-N65 WeakPolarHBondContact O-CA 3.48Å; H62-N65 PolarHBondContact O-N 2.82Å; H62-C66 VanDerWaalsContact CE1-SG 3.51Å; H62-C66 PolarHBondContact O-N 3.42Å
63	L	86.8	Confident	77	Confident	2 Å²	2	82.7 Å²	82.7	1%	0.01	40%	0.403	C	S	.	.	H	α-helix	trans	-62.1	-35.8	-174.3	-73.9	166.2	0	0	0	112.8	W47 L59 S60 N65 C66 I96 V131 I135	W47-L63 HydrophobicContact CE3-CD2 4.17Å; W47-L63 HydrophobicContact CH2-CD1 4.02Å; W47-L63 HydrophobicContact CH2-CD2 3.76Å; W47-L63 HydrophobicContact CZ2-CD2 4.41Å; W47-L63 HydrophobicContact CZ3-CD1 3.64Å; W47-L63 HydrophobicContact CZ3-CD2 3.64Å; W47-L63 HydrophobicContact CZ3-CG 4.32Å; L59-L63 HydrophobicContact CD1-CD1 3.97Å; L59-L63 HydrophobicContact CD1-CD2 4.38Å; L59-L63 HydrophobicContact CD1-CG 3.92Å; L59-L63 HydrophobicContact CD2-CD1 4.5Å; L59-L63 HydrophobicContact CG-CD1 3.82Å; L59-L63 HydrophobicContact CG-CG 4.27Å; L59-L63 VanDerWaalsContact O-CG 3.24Å; L59-L63 WeakPolarHBondContact O-CG 3.4Å; L59-L63 PolarHBondContact O-N 3.46Å; S60-L63 PolarHBondContact O-N 3.39Å; L63-N65 PolarHBondContact O-N 3.23Å; L63-N65 VanDerWaalsContact O-N 3.17Å; L63-C66 PolarHBondContact O-N 3.07Å; L63-I96 HydrophobicContact CB-CD1 4.16Å; L63-I96 HydrophobicContact CD2-CD1 3.99Å; L63-V131 HydrophobicContact CD1-CG1 3.74Å; L63-I135 HydrophobicContact CD1-CD1 3.88Å
64	Q	84.1	Confident	75.9	Confident	102 Å²	102	85.7 Å²	85.7	48%	0.477	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.2	172.1	-70.7	-176.9	-27.9	0	0	113.7	S60 H62 E128 D129	S60-Q64 PolarHBondContact O-N 3.11Å; H62-Q64 VanDerWaalsContact C-N 3.31Å; H62-Q64 PolarHBondContact O-N 3.15Å; Q64-E128 HydrophobicContact CG-CG 4.06Å; Q64-D129 PolarHBondContact NE2-OD1 3.48Å
65	N	83.5	Confident	75.2	Confident	118 Å²	118	85.2 Å²	85.2	63%	0.631	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	11.7	-178.6	-64	-77.3	0	0	0	112.4	E61 H62 L63 K67	E61-N65 PolarHBondContact O-ND2 3.12Å; H62-N65 CarbonylContact O-C 3.24Å; H62-N65 VanDerWaalsContact O-C 3.24Å; H62-N65 WeakPolarHBondContact O-CA 3.48Å; H62-N65 PolarHBondContact O-N 2.82Å; L63-N65 PolarHBondContact O-N 3.23Å; L63-N65 VanDerWaalsContact O-N 3.17Å; N65-K67 PolarHBondContact O-N 2.99Å
66	C	83	Confident	75	Confident	19 Å²	19	82.8 Å²	82.8	13%	0.128	40%	0.402	C	S	.	.			trans	-78.8	90.1	-177	-171.5	0	0	0	0	109.5	E48 H62 L63	E48-C66 WeakPolarHBondContact OE2-CB 3.44Å; E48-C66 PolarHBondContact OE2-SG 2.93Å; H62-C66 VanDerWaalsContact CE1-SG 3.51Å; H62-C66 PolarHBondContact O-N 3.42Å; L63-C66 PolarHBondContact O-N 3.07Å
67	K	68.6	Low	74.6	Confident	199 Å²	199	85.9 Å²	85.9	87%	0.865	42%	0.42	S	S	*	.			trans	-87.3	122.4	167.4	-65.8	-172.2	178.6	-175.2	0	109.2	N65	N65-K67 PolarHBondContact O-N 2.99Å
68	K	64.2	Low	73.9	Confident	95 Å²	95	81.2 Å²	81.2	41%	0.413	41%	0.408	S	S	.	.			trans	-122.1	142	162.4	-173	177	-177.3	175	0	106.2	E48 D70	E48-K68 WeakPolarHBondContact O-CD 3.25Å; E48-K68 PolarHBondContact O-NZ 2.98Å; K68-D70 VanDerWaalsContact C-N 3.27Å; K68-D70 WeakPolarHBondContact CD-OD1 3.34Å; K68-D70 WeakPolarHBondContact CG-OD1 3.5Å; K68-D70 PolarHBondContact O-N 3.41Å
69	D	56	Low	73.6	Confident	172 Å²	172	75 Å²	75	92%	0.92	39%	0.385	S	S	*	.			trans	-77.9	83.6	179.6	-56.9	-61.2	0	0	0	108.6
70	D	58.8	Low	73.2	Confident	38 Å²	38	75.1 Å²	75.1	20%	0.203	39%	0.386	C	S	.	.			trans	-104.1	136.3	-177.9	-61.7	-49.9	0	0	0	110.8	K68 V72 H95	K68-D70 VanDerWaalsContact C-N 3.27Å; K68-D70 WeakPolarHBondContact CD-OD1 3.34Å; K68-D70 WeakPolarHBondContact CG-OD1 3.5Å; K68-D70 PolarHBondContact O-N 3.41Å; D70-V72 PolarHBondContact O-N 3.33Å; D70-H95 IonicContact OD1-CE1 2.68Å; D70-H95 PolarHBondContact OD1-CE1 3.18Å; D70-H95 IonicContact OD1-ND1 3.01Å; D70-H95 PolarHBondContact OD1-ND1 3.39Å; D70-H95 IonicContact OD2-CE1 3.23Å; D70-H95 IonicContact OD2-CG 3.64Å; D70-H95 IonicContact OD2-ND1 2.75Å; D70-H95 PolarHBondContact OD2-ND1 3.49Å
71	E	58.9	Low	73	Confident	185 Å²	185	76.9 Å²	76.9	86%	0.864	39%	0.392	S	S	*	.			trans	-65.7	132.9	173.1	-63.7	-177.2	141.9	0	0	110.8	C73	E71-C73 PolarHBondContact O-N 2.77Å
72	V	58	Low	72.7	Confident	62 Å²	62	74.3 Å²	74.3	38%	0.376	38%	0.383	S	S	.	.			trans	-74.6	88.6	-178.5	-178.7	0	0	0	0	109.7	D70 E74 T101	D70-V72 PolarHBondContact O-N 3.33Å; V72-E74 PolarHBondContact O-N 3.27Å; V72-T101 HydrophobicContact CG1-CG2 3.72Å
73	C	58.9	Low	71.7	Confident	66 Å²	66	78.5 Å²	78.5	45%	0.446	41%	0.413	S	S	.	.			trans	-69.3	114.8	176.3	-170.3	0	0	0	0	111	E71 Q75	E71-C73 PolarHBondContact O-N 2.77Å; C73-Q75 VanDerWaalsContact C-N 3.25Å; C73-Q75 PolarHBondContact O-N 2.89Å; C73-Q75 PolarHBondContact SG-O 2.88Å; C73-Q75 VanDerWaalsContact SG-O 3.37Å
74	E	60.2	Low	70.5	Confident	119 Å²	119	85.6 Å²	85.6	56%	0.556	44%	0.439	S	S	*	.	S	Bend	trans	-76.5	-8.5	-177.5	-54	-159.1	133.4	0	0	114.1	V72 R105 F106	V72-E74 PolarHBondContact O-N 3.27Å; E74-R105 IonicContact OE1-CZ 3.86Å; E74-R105 IonicContact OE1-NH1 2.67Å; E74-R105 PolarHBondContact OE1-NH1 2.93Å; E74-F106 WeakPolarHBondContact O-CE2 3.44Å; E74-F106 WeakPolarHBondContact O-CZ 3.34Å
75	Q	67.2	Low	69.1	Low	165 Å²	165	87.1 Å²	87.1	77%	0.771	46%	0.455	S	S	*	.	S	Bend	trans	-125.3	94.2	175.3	-64.3	-174.8	9.8	0	0	109.7	C73 P77	C73-Q75 VanDerWaalsContact C-N 3.25Å; C73-Q75 PolarHBondContact O-N 2.89Å; C73-Q75 PolarHBondContact SG-O 2.88Å; C73-Q75 VanDerWaalsContact SG-O 3.37Å; Q75-P77 WeakPolarHBondContact O-CD 3.38Å
76	L	78.2	Confident	66.7	Low	15 Å²	15	88.8 Å²	88.8	8%	0.079	46%	0.463	C	S	.	.			trans	-81.7	102.7	-176	-162.1	81.2	0	0	0	112	G78 C79 F94 F99 H102	L76-G78 PolarHBondContact O-N 3.02Å; L76-C79 HydrophobicContact CB-CB 4.26Å; L76-C79 HydrophobicContact CD2-CB 4.16Å; L76-C79 VanDerWaalsContact O-CB 3.26Å; L76-C79 WeakPolarHBondContact O-CB 3.17Å; L76-C79 PolarHBondContact O-N 3.41Å; L76-F94 HydrophobicContact CD1-CD1 3.99Å; L76-F94 HydrophobicContact CD1-CE1 4.39Å; L76-F94 HydrophobicContact CD2-CD1 3.71Å; L76-F94 HydrophobicContact CD2-CE1 3.71Å; L76-F94 HydrophobicContact CD2-CG 4.36Å; L76-F94 HydrophobicContact CD2-CZ 4.35Å; L76-F94 HydrophobicContact CG-CD1 3.77Å; L76-F94 HydrophobicContact CG-CE1 3.7Å; L76-F99 HydrophobicContact CD2-CB 4.24Å; L76-F99 HydrophobicContact CD2-CD2 3.54Å; L76-F99 HydrophobicContact CD2-CE2 4.19Å; L76-F99 HydrophobicContact CD2-CG 4.18Å; L76-H102 HydrophobicContact CB-CB 3.96Å; L76-H102 WeakPolarHBondContact CB-ND1 3.23Å; L76-H102 HydrophobicContact CD2-CB 4.03Å; L76-H102 HydrophobicContact CG-CB 4.46Å
77	P	73.5	Confident	64.2	Low	73 Å²	73	94.7 Å²	94.7	47%	0.474	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	131.5	-167.1	-18.4	34.7	0	0	0	111.5	Q75 C79 F94	Q75-P77 WeakPolarHBondContact O-CD 3.38Å; P77-C79 VanDerWaalsContact C-N 3.3Å; P77-C79 PolarHBondContact O-N 3.07Å; P77-F94 WeakPolarHBondContact O-CE1 3.43Å
78	G	71.9	Confident	62.9	Low	30 Å²	30	93.5 Å²	93.5	31%	0.309	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	0.3	-179.6	0	0	0	0	0	115.9	L76 R153	L76-G78 PolarHBondContact O-N 3.02Å; G78-R153 PolarHBondContact O-NH2 2.73Å
79	C	82.3	Confident	62	Low	0 Å²	0	93.6 Å²	93.6	0%	0	50%	0.503	C	S	.	.			trans	-42.8	129.3	172	175.1	0	0	0	0	111.9	L76 P77 F81 C82 H102 R153	L76-C79 HydrophobicContact CB-CB 4.26Å; L76-C79 HydrophobicContact CD2-CB 4.16Å; L76-C79 VanDerWaalsContact O-CB 3.26Å; L76-C79 WeakPolarHBondContact O-CB 3.17Å; L76-C79 PolarHBondContact O-N 3.41Å; P77-C79 VanDerWaalsContact C-N 3.3Å; P77-C79 PolarHBondContact O-N 3.07Å; C79-F81 VanDerWaalsContact C-N 3.29Å; C79-F81 PolarHBondContact O-N 2.86Å; C79-C82 HydrophobicContact CB-CB 4.02Å; C79-C82 PolarHBondContact O-N 3.01Å; C79-H102 VanDerWaalsContact SG-CD2 3.58Å; C79-R153 PolarHBondContact O-NH2 3.48Å
80	P	76.7	Confident	62	Low	6 Å²	6	89.6 Å²	89.6	4%	0.039	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-35.3	-171.4	23.4	-34.2	0	0	0	113.4	F99 L149 L152 R153	P80-F99 HydrophobicContact CG-CZ 4.41Å; P80-L149 HydrophobicContact CG-CB 4.16Å; P80-L149 HydrophobicContact CG-CD1 4.31Å; P80-L152 HydrophobicContact CB-CB 4.05Å; P80-L152 HydrophobicContact CG-CB 4.39Å; P80-R153 HydrophobicContact CB-CG 4.09Å; P80-R153 WeakPolarHBondContact O-CG 3.27Å; P80-R153 VanDerWaalsContact O-CZ 3.3Å; P80-R153 PolarHBondContact O-NH1 3.03Å
81	F	84.4	Confident	62	Low	41 Å²	41	93.8 Å²	93.8	18%	0.18	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-19.4	-176.7	-45.2	-60.9	0	0	0	112.9	C79 F99 V103 H107 I110 Y113 L152	C79-F81 VanDerWaalsContact C-N 3.29Å; C79-F81 PolarHBondContact O-N 2.86Å; F81-F99 HydrophobicContact CE2-CZ 4.26Å; F81-V103 HydrophobicContact CD2-CG2 4.08Å; F81-V103 HydrophobicContact CE2-CG2 4.09Å; F81-H107 VanDerWaalsContact C-CE1 3.43Å; F81-H107 HydrophobicContact CB-CB 4.38Å; F81-H107 VanDerWaalsContact CB-CE1 3.44Å; F81-H107 WeakPolarHBondContact CB-CE1 3.47Å; F81-H107 WeakPolarHBondContact CB-ND1 3.41Å; F81-H107 HydrophobicContact CD2-CB 4.47Å; F81-H107 PolarHBondContact O-CE1 3.11Å; F81-I110 HydrophobicContact CD1-CD1 3.72Å; F81-I110 HydrophobicContact CD1-CG1 4.13Å; F81-I110 HydrophobicContact CD2-CG1 4.06Å; F81-I110 HydrophobicContact CE1-CD1 3.59Å; F81-I110 HydrophobicContact CE1-CG1 4.09Å; F81-I110 HydrophobicContact CE2-CD1 4.42Å; F81-I110 HydrophobicContact CE2-CG1 4.01Å; F81-I110 HydrophobicContact CE2-CG2 4.18Å; F81-I110 HydrophobicContact CG-CD1 4.21Å; F81-I110 HydrophobicContact CG-CG1 4.12Å; F81-I110 HydrophobicContact CZ-CD1 3.96Å; F81-I110 HydrophobicContact CZ-CG1 4.03Å; F81-I110 HydrophobicContact CZ-CG2 4Å; F81-Y113 HydrophobicContact CE2-CE1 4.07Å; F81-Y113 HydrophobicContact CZ-CD1 4.37Å; F81-Y113 AromaticContact CZ-CE1 3.94Å; F81-Y113 HydrophobicContact CZ-CE1 3.94Å; F81-L152 HydrophobicContact CE1-CB 4.06Å; F81-L152 HydrophobicContact CZ-CB 4.31Å; F81-L152 HydrophobicContact CZ-CD1 4.08Å
82	C	81.2	Confident	62.4	Low	30 Å²	30	87.1 Å²	87.1	20%	0.203	48%	0.481	C	S	.	.	S	Bend	trans	-74.7	143.6	175.5	-75.2	0	0	0	0	112.8	C79 H102 H107 R153	C79-C82 HydrophobicContact CB-CB 4.02Å; C79-C82 PolarHBondContact O-N 3.01Å; C82-H102 VanDerWaalsContact SG-CE1 3.5Å; C82-H102 PolarHBondContact SG-NE2 2.8Å; C82-H107 PolarHBondContact SG-NE2 3.23Å; C82-R153 PolarHBondContact O-NH1 3.35Å
83	P	68.9	Low	63.4	Low	112 Å²	112	86 Å²	86	73%	0.727	48%	0.475	S	S	*	.			trans	-54.5	141.5	164.2	-23.9	34.2	0	0	0	111.9	V85	P83-V85 VanDerWaalsContact C-N 3.34Å; P83-V85 PolarHBondContact O-N 2.76Å
84	R	62.7	Low	64.5	Low	150 Å²	150	83.7 Å²	83.7	57%	0.566	46%	0.457	S	S	*	.			trans	-78.4	83.2	172.2	-76.5	-173.5	174.4	175.5	-0.1	110.3
85	V	53.5	Low	65.8	Low	134 Å²	134	80.9 Å²	80.9	81%	0.812	44%	0.444	S	S	*	.			trans	-64.4	140.6	160.1	-171.2	0	0	0	0	108	P83 N87	P83-V85 VanDerWaalsContact C-N 3.34Å; P83-V85 PolarHBondContact O-N 2.76Å; V85-N87 PolarHBondContact O-N 3.43Å
86	I	33.3	Very low	66.8	Low	153 Å²	153	73.6 Å²	73.6	79%	0.785	41%	0.41	S	S	*	.	S	Bend	trans	-81.2	94.3	-164.3	-56.7	168.5	0	0	0	110.4
87	N	30.8	Very low	67.2	Low	143 Å²	143	77.8 Å²	77.8	77%	0.765	43%	0.429	S	S	*	.	S	Bend	trans	-177.9	149.3	133.1	-97.6	-46.2	0	0	0	113.2	V85	V85-N87 PolarHBondContact O-N 3.43Å
88	Q	41.9	Very low	67.8	Low	174 Å²	174	74.9 Å²	74.9	81%	0.813	41%	0.411	S	S	*	.			trans	53.4	109.5	169.4	-59.3	-173.9	18	0	0	118.4	N90	Q88-N90 PolarHBondContact O-N 3.16Å
89	S	45.6	Very low	68.6	Low	97 Å²	97	73.5 Å²	73.5	68%	0.678	40%	0.396	S	S	*	.			trans	-74.2	103.3	159	49.5	0	0	0	0	110.1	D91	S89-D91 PolarHBondContact O-N 3.5Å
90	N	55	Low	69	Low	89 Å²	89	75 Å²	75	48%	0.476	40%	0.404	S	S	.	.			trans	-74.7	114.6	168.3	-173.3	-1.1	0	0	0	109.4	Q88 A92 P146	Q88-N90 PolarHBondContact O-N 3.16Å; N90-A92 PolarHBondContact O-N 3.03Å; N90-A92 WeakPolarHBondContact OD1-CB 3.46Å; N90-A92 PolarHBondContact OD1-N 3.33Å; N90-P146 WeakPolarHBondContact O-CD 3.46Å; N90-P146 VanDerWaalsContact O-CG 3.28Å; N90-P146 WeakPolarHBondContact O-CG 3.26Å
91	D	59.5	Low	69.6	Low	126 Å²	126	75.9 Å²	75.9	67%	0.674	41%	0.409	S	S	*	.			trans	-77	-7	179.2	-70.1	-40.9	0	0	0	113.5	S89	S89-D91 PolarHBondContact O-N 3.5Å
92	A	67.3	Low	69.8	Low	44 Å²	44	74.3 Å²	74.3	36%	0.364	40%	0.402	S	S	.	.	S	Bend	trans	-59.8	146.9	177.9	0	0	0	0	0	112.1	N90 S145	N90-A92 PolarHBondContact O-N 3.03Å; N90-A92 WeakPolarHBondContact OD1-CB 3.46Å; N90-A92 PolarHBondContact OD1-N 3.33Å; A92-S145 WeakPolarHBondContact O-CB 3.36Å
93	P	78	Confident	70.2	Confident	40 Å²	40	73 Å²	73	26%	0.26	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-69.4	143.1	170	31.9	-34.9	0	0	0	110.6	W47 R143 P144	W47-P93 HydrophobicContact CG-CB 4.48Å; W47-P93 HydrophobicContact CG-CG 4.27Å; P93-R143 HydrophobicContact CB-CB 3.91Å; P93-P144 CarbonylContact C-O 3.43Å; P93-P144 WeakPolarHBondContact CA-O 3.33Å; P93-P144 WeakPolarHBondContact CB-O 3.49Å
94	F	83	Confident	71.1	Confident	16 Å²	16	75 Å²	75	7%	0.07	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-64.6	147.2	169.4	-57.2	-67.3	0	0	0	110.8	W47 L76 P77 F99 P144 S145 P146 L149	W47-F94 PolarHBondContact NE1-O 3.08Å; L76-F94 HydrophobicContact CD1-CD1 3.99Å; L76-F94 HydrophobicContact CD1-CE1 4.39Å; L76-F94 HydrophobicContact CD2-CD1 3.71Å; L76-F94 HydrophobicContact CD2-CE1 3.71Å; L76-F94 HydrophobicContact CD2-CG 4.36Å; L76-F94 HydrophobicContact CD2-CZ 4.35Å; L76-F94 HydrophobicContact CG-CD1 3.77Å; L76-F94 HydrophobicContact CG-CE1 3.7Å; P77-F94 WeakPolarHBondContact O-CE1 3.43Å; F94-F99 HydrophobicContact CB-CB 4.11Å; F94-F99 HydrophobicContact CB-CD2 4.06Å; F94-F99 HydrophobicContact CD1-CD2 4.3Å; F94-F99 AromaticContact CD2-CD2 3.57Å; F94-F99 HydrophobicContact CD2-CD2 3.57Å; F94-F99 AromaticContact CD2-CE2 3.93Å; F94-F99 HydrophobicContact CD2-CE2 3.93Å; F94-F99 AromaticContact CE2-CD2 3.98Å; F94-F99 HydrophobicContact CE2-CD2 3.98Å; F94-F99 AromaticContact CE2-CE2 3.93Å; F94-F99 HydrophobicContact CE2-CE2 3.93Å; F94-F99 AromaticContact CG-CD2 3.73Å; F94-F99 HydrophobicContact CG-CD2 3.73Å; F94-F99 HydrophobicContact CG-CE2 4.5Å; F94-F99 HydrophobicContact CZ-CD2 4.48Å; F94-F99 HydrophobicContact CZ-CE2 4.47Å; F94-P144 HydrophobicContact CD2-CB 4.36Å; F94-P144 PolarHBondContact N-O 3.41Å; F94-S145 VanDerWaalsContact CE2-C 3.42Å; F94-P146 HydrophobicContact CE1-CG 4.07Å; F94-P146 HydrophobicContact CE2-CG 4.14Å; F94-P146 HydrophobicContact CZ-CB 4.41Å; F94-P146 HydrophobicContact CZ-CG 3.55Å; F94-L149 HydrophobicContact CD2-CD1 4.01Å; F94-L149 HydrophobicContact CE2-CD1 3.81Å
95	H	86.6	Confident	72.3	Confident	61 Å²	61	74 Å²	74	28%	0.282	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-80	137	165.5	-66.8	-136.1	0	0	0	108.6	E48 D70 H97 S98 F99	E48-H95 WeakPolarHBondContact OE1-CA 3.39Å; D70-H95 IonicContact OD1-CE1 2.68Å; D70-H95 PolarHBondContact OD1-CE1 3.18Å; D70-H95 IonicContact OD1-ND1 3.01Å; D70-H95 PolarHBondContact OD1-ND1 3.39Å; D70-H95 IonicContact OD2-CE1 3.23Å; D70-H95 IonicContact OD2-CG 3.64Å; D70-H95 IonicContact OD2-ND1 2.75Å; D70-H95 PolarHBondContact OD2-ND1 3.49Å; H95-H97 VanDerWaalsContact C-N 3.33Å; H95-H97 PolarHBondContact O-N 3.33Å; H95-S98 PolarHBondContact O-N 2.94Å; H95-F99 PolarHBondContact O-N 3.15Å
96	I	87.7	Confident	73.9	Confident	11 Å²	11	72.6 Å²	72.6	6%	0.056	37%	0.372	C	S	.	.	H	α-helix	trans	-57	-46.7	-174	-70.2	166.1	0	0	0	110.6	W47 E48 L63 F99 N100 I127 E128	W47-I96 HydrophobicContact CH2-CD1 4.08Å; W47-I96 HydrophobicContact CH2-CG1 4.42Å; W47-I96 HydrophobicContact CZ2-CD1 3.97Å; W47-I96 HydrophobicContact CZ2-CG1 3.93Å; E48-I96 WeakPolarHBondContact OE1-CB 3.36Å; E48-I96 VanDerWaalsContact OE1-CG1 3.31Å; E48-I96 WeakPolarHBondContact OE1-CG1 3.47Å; E48-I96 PolarHBondContact OE1-N 3.38Å; L63-I96 HydrophobicContact CB-CD1 4.16Å; L63-I96 HydrophobicContact CD2-CD1 3.99Å; I96-F99 PolarHBondContact O-N 3.35Å; I96-N100 WeakPolarHBondContact O-CB 3.46Å; I96-N100 VanDerWaalsContact O-CG 3.28Å; I96-N100 PolarHBondContact O-N 3.14Å; I96-N100 PolarHBondContact O-ND2 3.34Å; I96-I127 HydrophobicContact CB-CG2 4.45Å; I96-I127 HydrophobicContact CG1-CG2 4.31Å; I96-I127 HydrophobicContact CG2-CG2 4.24Å; I96-E128 HydrophobicContact CD1-CB 4.19Å; I96-E128 HydrophobicContact CG2-CB 4.07Å; I96-E128 HydrophobicContact CG2-CG 4.46Å; I96-E128 WeakPolarHBondContact CG2-OE2 3.35Å
97	H	86.7	Confident	76.5	Confident	104 Å²	104	66.1 Å²	66.1	48%	0.481	34%	0.339	S	S	.	.	H	α-helix	trans	-65.1	-45.1	-179.3	-173	55.2	0	0	0	112.4	H95 T101	H95-H97 VanDerWaalsContact C-N 3.33Å; H95-H97 PolarHBondContact O-N 3.33Å; H97-T101 PolarHBondContact CE1-OG1 2.77Å; H97-T101 VanDerWaalsContact CE1-OG1 3.3Å; H97-T101 VanDerWaalsContact O-CB 3.27Å; H97-T101 WeakPolarHBondContact O-CB 3.24Å; H97-T101 PolarHBondContact O-N 3.33Å; H97-T101 PolarHBondContact O-OG1 3.06Å
98	S	87.2	Confident	79.2	Confident	12 Å²	12	63.7 Å²	63.7	8%	0.084	33%	0.331	C	S	.	.	H	α-helix	trans	-65.8	-40.3	178.6	-51.3	0	0	0	0	112.1	H95 H102	H95-S98 PolarHBondContact O-N 2.94Å; S98-H102 VanDerWaalsContact O-CB 3.26Å; S98-H102 WeakPolarHBondContact O-CB 3.28Å; S98-H102 PolarHBondContact O-N 3.46Å
99	F	88.4	Confident	81.2	Confident	1 Å²	1	60.8 Å²	60.8	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-64.6	-49.2	176.6	-170.1	-82.5	0	0	0	111.9	L76 P80 F81 F94 H95 I96 T101 H102 V103 Y113 I127 L149	L76-F99 HydrophobicContact CD2-CB 4.24Å; L76-F99 HydrophobicContact CD2-CD2 3.54Å; L76-F99 HydrophobicContact CD2-CE2 4.19Å; L76-F99 HydrophobicContact CD2-CG 4.18Å; P80-F99 HydrophobicContact CG-CZ 4.41Å; F81-F99 HydrophobicContact CE2-CZ 4.26Å; F94-F99 HydrophobicContact CB-CB 4.11Å; F94-F99 HydrophobicContact CB-CD2 4.06Å; F94-F99 HydrophobicContact CD1-CD2 4.3Å; F94-F99 AromaticContact CD2-CD2 3.57Å; F94-F99 HydrophobicContact CD2-CD2 3.57Å; F94-F99 AromaticContact CD2-CE2 3.93Å; F94-F99 HydrophobicContact CD2-CE2 3.93Å; F94-F99 AromaticContact CE2-CD2 3.98Å; F94-F99 HydrophobicContact CE2-CD2 3.98Å; F94-F99 AromaticContact CE2-CE2 3.93Å; F94-F99 HydrophobicContact CE2-CE2 3.93Å; F94-F99 AromaticContact CG-CD2 3.73Å; F94-F99 HydrophobicContact CG-CD2 3.73Å; F94-F99 HydrophobicContact CG-CE2 4.5Å; F94-F99 HydrophobicContact CZ-CD2 4.48Å; F94-F99 HydrophobicContact CZ-CE2 4.47Å; H95-F99 PolarHBondContact O-N 3.15Å; I96-F99 PolarHBondContact O-N 3.35Å; F99-T101 PolarHBondContact O-N 2.91Å; F99-H102 PolarHBondContact O-N 2.96Å; F99-V103 HydrophobicContact CD1-CG2 3.96Å; F99-V103 HydrophobicContact CE1-CG2 3.48Å; F99-V103 VanDerWaalsContact CE1-CG2 3.48Å; F99-V103 HydrophobicContact CZ-CG2 3.88Å; F99-V103 WeakPolarHBondContact O-CG2 3.3Å; F99-V103 PolarHBondContact O-N 3.1Å; F99-Y113 HydrophobicContact CE1-CE1 4.4Å; F99-I127 HydrophobicContact CB-CG2 4.25Å; F99-I127 HydrophobicContact CD1-CB 3.8Å; F99-I127 HydrophobicContact CD1-CD1 3.55Å; F99-I127 HydrophobicContact CD1-CG1 4.29Å; F99-I127 HydrophobicContact CD1-CG2 3.97Å; F99-I127 HydrophobicContact CD2-CD1 4.05Å; F99-I127 HydrophobicContact CE1-CB 4.2Å; F99-I127 HydrophobicContact CE1-CD1 3.56Å; F99-I127 HydrophobicContact CE1-CG1 4.41Å; F99-I127 HydrophobicContact CE2-CD1 4.08Å; F99-I127 HydrophobicContact CG-CD1 3.82Å; F99-I127 HydrophobicContact CG-CG2 4.33Å; F99-I127 HydrophobicContact CZ-CD1 3.85Å; F99-L149 HydrophobicContact CD2-CD1 4.19Å; F99-L149 HydrophobicContact CE2-CD1 3.34Å; F99-L149 HydrophobicContact CZ-CD1 3.57Å
100	N	90.6	Very high	83.1	Confident	30 Å²	30	57.3 Å²	57.3	16%	0.16	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-42.5	179.7	-73.1	-16.8	0	0	0	111.8	I96 V103 H104 I127 E128	I96-N100 WeakPolarHBondContact O-CB 3.46Å; I96-N100 VanDerWaalsContact O-CG 3.28Å; I96-N100 PolarHBondContact O-N 3.14Å; I96-N100 PolarHBondContact O-ND2 3.34Å; N100-V103 PolarHBondContact O-N 2.68Å; N100-H104 VanDerWaalsContact O-CB 3.27Å; N100-H104 WeakPolarHBondContact O-CB 3.17Å; N100-H104 PolarHBondContact O-N 3.1Å; N100-I127 WeakPolarHBondContact OD1-CG2 3.39Å; N100-I127 PolarHBondContact OD1-N 3.18Å; N100-E128 PolarHBondContact ND2-OE2 3.01Å
101	T	89	Confident	84.6	Confident	25 Å²	25	60.8 Å²	60.8	15%	0.153	30%	0.301	C	S	.	.	H	α-helix	trans	-65.1	-41	177	-61	0	0	0	0	111.7	V72 H97 F99 R105	V72-T101 HydrophobicContact CG1-CG2 3.72Å; H97-T101 PolarHBondContact CE1-OG1 2.77Å; H97-T101 VanDerWaalsContact CE1-OG1 3.3Å; H97-T101 VanDerWaalsContact O-CB 3.27Å; H97-T101 WeakPolarHBondContact O-CB 3.24Å; H97-T101 PolarHBondContact O-N 3.33Å; H97-T101 PolarHBondContact O-OG1 3.06Å; F99-T101 PolarHBondContact O-N 2.91Å; T101-R105 HydrophobicContact CG2-CG 4.49Å; T101-R105 WeakPolarHBondContact O-CB 3.21Å; T101-R105 VanDerWaalsContact O-CG 3.31Å; T101-R105 WeakPolarHBondContact O-CG 3.29Å; T101-R105 PolarHBondContact O-N 3.25Å
102	H	89	Confident	86	Confident	8 Å²	8	56.9 Å²	56.9	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-60.5	-51.4	173.9	179.1	91.8	0	0	0	111.4	L76 C79 C82 S98 F99 H104 R105 F106 H107	L76-H102 HydrophobicContact CB-CB 3.96Å; L76-H102 WeakPolarHBondContact CB-ND1 3.23Å; L76-H102 HydrophobicContact CD2-CB 4.03Å; L76-H102 HydrophobicContact CG-CB 4.46Å; C79-H102 VanDerWaalsContact SG-CD2 3.58Å; C82-H102 VanDerWaalsContact SG-CE1 3.5Å; C82-H102 PolarHBondContact SG-NE2 2.8Å; S98-H102 VanDerWaalsContact O-CB 3.26Å; S98-H102 WeakPolarHBondContact O-CB 3.28Å; S98-H102 PolarHBondContact O-N 3.46Å; F99-H102 PolarHBondContact O-N 2.96Å; H102-H104 PolarHBondContact O-N 3.14Å; H102-R105 PolarHBondContact O-N 3.33Å; H102-F106 AromaticContact CE1-CD2 3.5Å; H102-F106 VanDerWaalsContact CE1-CD2 3.5Å; H102-F106 WeakPolarHBondContact CE1-CD2 3.4Å; H102-F106 AromaticContact ND1-CD2 3.55Å; H102-F106 PolarHBondContact O-N 3.27Å; H102-H107 AromaticContact CD2-CD2 3.73Å; H102-H107 AromaticContact NE2-CD2 3.43Å; H102-H107 PolarHBondContact NE2-CD2 3.14Å; H102-H107 AromaticContact NE2-NE2 3.42Å; H102-H107 PolarHBondContact NE2-NE2 2.99Å
103	V	88.8	Confident	86.8	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.024	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-42.7	-179.5	170.5	0	0	0	0	111.2	F81 F99 N100 R105 H107 I110	F81-V103 HydrophobicContact CD2-CG2 4.08Å; F81-V103 HydrophobicContact CE2-CG2 4.09Å; F99-V103 HydrophobicContact CD1-CG2 3.96Å; F99-V103 HydrophobicContact CE1-CG2 3.48Å; F99-V103 VanDerWaalsContact CE1-CG2 3.48Å; F99-V103 HydrophobicContact CZ-CG2 3.88Å; F99-V103 WeakPolarHBondContact O-CG2 3.3Å; F99-V103 PolarHBondContact O-N 3.1Å; N100-V103 PolarHBondContact O-N 2.68Å; V103-R105 VanDerWaalsContact C-N 3.29Å; V103-R105 PolarHBondContact O-N 3.02Å; V103-H107 HydrophobicContact CG1-CB 4.14Å; V103-H107 CarbonylContact O-C 3.47Å; V103-H107 WeakPolarHBondContact O-CA 3.47Å; V103-H107 PolarHBondContact O-N 3.4Å; V103-I110 HydrophobicContact CG1-CB 3.93Å; V103-I110 HydrophobicContact CG1-CG1 4.45Å; V103-I110 HydrophobicContact CG1-CG2 4.24Å
104	H	88.9	Confident	86.8	Confident	152 Å²	152	56.6 Å²	56.6	70%	0.704	27%	0.273	S	S	*	.	H	α-helix	trans	-62.4	-33.8	176.7	-173.1	-56	0	0	0	113.1	N100 H102	N100-H104 VanDerWaalsContact O-CB 3.27Å; N100-H104 WeakPolarHBondContact O-CB 3.17Å; N100-H104 PolarHBondContact O-N 3.1Å; H102-H104 PolarHBondContact O-N 3.14Å
105	R	87.7	Confident	86.1	Confident	130 Å²	130	55.9 Å²	55.9	49%	0.491	27%	0.269	S	S	.	.	H	α-helix	trans	-83.4	-45	-179	-73.6	177.8	176.6	-161	1	113.3	E74 T101 H102 V103	E74-R105 IonicContact OE1-CZ 3.86Å; E74-R105 IonicContact OE1-NH1 2.67Å; E74-R105 PolarHBondContact OE1-NH1 2.93Å; T101-R105 HydrophobicContact CG2-CG 4.49Å; T101-R105 WeakPolarHBondContact O-CB 3.21Å; T101-R105 VanDerWaalsContact O-CG 3.31Å; T101-R105 WeakPolarHBondContact O-CG 3.29Å; T101-R105 PolarHBondContact O-N 3.25Å; H102-R105 PolarHBondContact O-N 3.33Å; V103-R105 VanDerWaalsContact C-N 3.29Å; V103-R105 PolarHBondContact O-N 3.02Å
106	F	86.7	Confident	85.1	Confident	104 Å²	104	54.9 Å²	54.9	46%	0.456	27%	0.27	S	S	.	.	H	α-helix	trans	-107.4	-14.9	-169.6	-62.9	-75	0	0	0	114.4	E74 H102	E74-F106 WeakPolarHBondContact O-CE2 3.44Å; E74-F106 WeakPolarHBondContact O-CZ 3.34Å; H102-F106 AromaticContact CE1-CD2 3.5Å; H102-F106 VanDerWaalsContact CE1-CD2 3.5Å; H102-F106 WeakPolarHBondContact CE1-CD2 3.4Å; H102-F106 AromaticContact ND1-CD2 3.55Å; H102-F106 PolarHBondContact O-N 3.27Å
107	H	87.5	Confident	83.5	Confident	18 Å²	18	56.1 Å²	56.1	8%	0.083	27%	0.274	C	S	.	.			trans	-136.3	50.6	-175.8	-60.4	-64.4	0	0	0	113.8	F81 C82 H102 V103 E109 I110	F81-H107 VanDerWaalsContact C-CE1 3.43Å; F81-H107 HydrophobicContact CB-CB 4.38Å; F81-H107 VanDerWaalsContact CB-CE1 3.44Å; F81-H107 WeakPolarHBondContact CB-CE1 3.47Å; F81-H107 WeakPolarHBondContact CB-ND1 3.41Å; F81-H107 HydrophobicContact CD2-CB 4.47Å; F81-H107 PolarHBondContact O-CE1 3.11Å; C82-H107 PolarHBondContact SG-NE2 3.23Å; H102-H107 AromaticContact CD2-CD2 3.73Å; H102-H107 AromaticContact NE2-CD2 3.43Å; H102-H107 PolarHBondContact NE2-CD2 3.14Å; H102-H107 AromaticContact NE2-NE2 3.42Å; H102-H107 PolarHBondContact NE2-NE2 2.99Å; V103-H107 HydrophobicContact CG1-CB 4.14Å; V103-H107 CarbonylContact O-C 3.47Å; V103-H107 WeakPolarHBondContact O-CA 3.47Å; V103-H107 PolarHBondContact O-N 3.4Å; H107-E109 VanDerWaalsContact CA-CD 3.49Å; H107-E109 VanDerWaalsContact CA-OE1 3.27Å; H107-E109 WeakPolarHBondContact CA-OE1 3.43Å; H107-E109 VanDerWaalsContact CA-OE2 3.26Å; H107-E109 WeakPolarHBondContact CA-OE2 3.35Å; H107-E109 WeakPolarHBondContact CB-OE1 3.48Å; H107-E109 IonicContact CG-OE1 3.58Å; H107-E109 IonicContact ND1-OE1 3.03Å; H107-E109 PolarHBondContact ND1-OE1 2.93Å; H107-E109 PolarHBondContact O-N 2.9Å; H107-I110 HydrophobicContact CB-CG1 3.97Å; H107-I110 PolarHBondContact O-N 3.09Å
108	P	87.3	Confident	82.3	Confident	91 Å²	91	51.8 Å²	51.8	59%	0.591	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-10.2	-178.3	30.3	-37.9	0	0	0	114.4	I110	P108-I110 VanDerWaalsContact C-N 3.27Å
109	E	84.7	Confident	81.1	Confident	113 Å²	113	54 Å²	54	53%	0.528	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.9	168.4	64.7	-78.1	179.5	0	0	113.5	H107 K111	H107-E109 VanDerWaalsContact CA-CD 3.49Å; H107-E109 VanDerWaalsContact CA-OE1 3.27Å; H107-E109 WeakPolarHBondContact CA-OE1 3.43Å; H107-E109 VanDerWaalsContact CA-OE2 3.26Å; H107-E109 WeakPolarHBondContact CA-OE2 3.35Å; H107-E109 WeakPolarHBondContact CB-OE1 3.48Å; H107-E109 IonicContact CG-OE1 3.58Å; H107-E109 IonicContact ND1-OE1 3.03Å; H107-E109 PolarHBondContact ND1-OE1 2.93Å; H107-E109 PolarHBondContact O-N 2.9Å; E109-K111 PolarHBondContact O-N 3.48Å
110	I	86	Confident	80.3	Confident	24 Å²	24	57.5 Å²	57.5	12%	0.123	28%	0.284	C	S	.	.			trans	-80.8	100.3	-173.2	-55.1	-60.3	0	0	0	111.2	F81 V103 H107 P108 Y113 C125	F81-I110 HydrophobicContact CD1-CD1 3.72Å; F81-I110 HydrophobicContact CD1-CG1 4.13Å; F81-I110 HydrophobicContact CD2-CG1 4.06Å; F81-I110 HydrophobicContact CE1-CD1 3.59Å; F81-I110 HydrophobicContact CE1-CG1 4.09Å; F81-I110 HydrophobicContact CE2-CD1 4.42Å; F81-I110 HydrophobicContact CE2-CG1 4.01Å; F81-I110 HydrophobicContact CE2-CG2 4.18Å; F81-I110 HydrophobicContact CG-CD1 4.21Å; F81-I110 HydrophobicContact CG-CG1 4.12Å; F81-I110 HydrophobicContact CZ-CD1 3.96Å; F81-I110 HydrophobicContact CZ-CG1 4.03Å; F81-I110 HydrophobicContact CZ-CG2 4Å; V103-I110 HydrophobicContact CG1-CB 3.93Å; V103-I110 HydrophobicContact CG1-CG1 4.45Å; V103-I110 HydrophobicContact CG1-CG2 4.24Å; H107-I110 HydrophobicContact CB-CG1 3.97Å; H107-I110 PolarHBondContact O-N 3.09Å; P108-I110 VanDerWaalsContact C-N 3.27Å; I110-Y113 HydrophobicContact CG2-CD1 4.23Å; I110-Y113 HydrophobicContact CG2-CE1 3.6Å; I110-C125 VanDerWaalsContact O-CB 3.32Å; I110-C125 WeakPolarHBondContact O-CB 3.33Å
111	K	85.6	Confident	79.9	Confident	162 Å²	162	61.2 Å²	61.2	70%	0.704	30%	0.304	S	S	*	.			trans	-103.4	-7.8	-179.1	-65.7	174.5	-176.1	174.8	0	114.3	E109 S124	E109-K111 PolarHBondContact O-N 3.48Å; K111-S124 CarbonylContact O-C 3.43Å
112	S	88.5	Confident	79.8	Confident	44 Å²	44	61.1 Å²	61.1	31%	0.308	30%	0.302	S	S	.	.			trans	-161	153.3	-173.9	47.4	0	0	0	0	111.4	I122 S124	S112-I122 WeakPolarHBondContact CA-O 3.29Å; S112-I122 WeakPolarHBondContact CB-O 3.34Å; S112-S124 WeakPolarHBondContact CA-O 3.46Å
113	Y	85.6	Confident	79.7	Confident	3 Å²	3	69.4 Å²	69.4	1%	0.012	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	140.5	174.8	-61.3	-65.6	0	0	0	111.7	F81 F99 I110 I122 S124 C125 L130 L152	F81-Y113 HydrophobicContact CE2-CE1 4.07Å; F81-Y113 HydrophobicContact CZ-CD1 4.37Å; F81-Y113 AromaticContact CZ-CE1 3.94Å; F81-Y113 HydrophobicContact CZ-CE1 3.94Å; F99-Y113 HydrophobicContact CE1-CE1 4.4Å; I110-Y113 HydrophobicContact CG2-CD1 4.23Å; I110-Y113 HydrophobicContact CG2-CE1 3.6Å; Y113-I122 PolarHBondContact N-O 3.14Å; Y113-I122 VanDerWaalsContact N-O 3.12Å; Y113-I122 PolarHBondContact O-N 2.8Å; Y113-S124 WeakPolarHBondContact CD2-O 3.37Å; Y113-C125 VanDerWaalsContact CE2-C 3.41Å; Y113-C125 VanDerWaalsContact CE2-O 3.26Å; Y113-C125 WeakPolarHBondContact CE2-O 3.37Å; Y113-C125 PolarHBondContact OH-O 2.75Å; Y113-L130 HydrophobicContact CD2-CB 4.33Å; Y113-L130 HydrophobicContact CG-CD2 4.32Å; Y113-L152 HydrophobicContact CD1-CD1 3.97Å
114	M	76.5	Confident	79.6	Confident	76 Å²	76	70.2 Å²	70.2	37%	0.374	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	123.2	168.9	-177.7	171.7	60.3	0	0	110.1	S116 L119 H151 L152	M114-S116 PolarHBondContact O-N 3.25Å; M114-L119 HydrophobicContact CE-CD2 4.11Å; M114-L119 HydrophobicContact CG-CB 4.39Å; M114-L119 HydrophobicContact CG-CD2 4.04Å; M114-L119 HydrophobicContact SD-CB 4.26Å; M114-L119 HydrophobicContact SD-CD2 3.67Å; M114-H151 PolarHBondContact O-NE2 3.35Å; M114-L152 HydrophobicContact CB-CD2 4.34Å
115	C	69.9	Low	79.5	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.334	C	S	.	.			trans	-66.7	125.2	173.5	-179	0	0	0	0	110.7	Y117 L119 N120 I122 L130 H133 H138	C115-Y117 PolarHBondContact O-N 3.09Å; C115-L119 WeakPolarHBondContact O-CA 3.46Å; C115-L119 PolarHBondContact O-N 3.05Å; C115-N120 PolarHBondContact N-O 3.47Å; C115-I122 HydrophobicContact CB-CD1 4.48Å; C115-L130 HydrophobicContact CB-CD1 4.27Å; C115-H133 PolarHBondContact SG-CD2 2.87Å; C115-H133 PolarHBondContact SG-NE2 2.63Å; C115-H138 PolarHBondContact SG-NE2 3.38Å
116	S	64.9	Low	79.6	Confident	41 Å²	41	64.4 Å²	64.4	29%	0.287	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-12.7	179.1	47.3	0	0	0	0	115.1	M114	M114-S116 PolarHBondContact O-N 3.25Å
117	Y	54.5	Low	79.8	Confident	37 Å²	37	59.5 Å²	59.5	15%	0.145	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-70.8	-175.8	-61.5	-79.4	0	0	0	111.3	C115 I134 H138 I140 W142 G239	C115-Y117 PolarHBondContact O-N 3.09Å; Y117-I134 HydrophobicContact CD2-CD1 4.24Å; Y117-I134 HydrophobicContact CD2-CG1 4.02Å; Y117-I134 HydrophobicContact CD2-CG2 4Å; Y117-I134 HydrophobicContact CE2-CD1 4.08Å; Y117-I134 HydrophobicContact CE2-CG1 4.2Å; Y117-I134 HydrophobicContact CE2-CG2 3.68Å; Y117-H138 VanDerWaalsContact CB-CD2 3.45Å; Y117-H138 WeakPolarHBondContact CB-CD2 3.48Å; Y117-H138 AromaticContact CD2-CD2 3.84Å; Y117-H138 AromaticContact CG-CD2 3.86Å; Y117-I140 HydrophobicContact CD1-CD1 3.8Å; Y117-I140 HydrophobicContact CE1-CD1 3.33Å; Y117-I140 HydrophobicContact CE2-CD1 4.26Å; Y117-I140 HydrophobicContact CG-CD1 4.43Å; Y117-W142 AromaticContact CE2-CD1 3.9Å; Y117-G239 VanDerWaalsContact C-CA 3.46Å; Y117-G239 VanDerWaalsContact O-CA 3.32Å; Y117-G239 WeakPolarHBondContact O-CA 3.16Å
118	C	60.6	Low	80	Confident	12 Å²	12	59 Å²	59	8%	0.081	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-7.9	179.7	56.7	0	0	0	0	115	N120 H133 H138 G239 F240	C118-N120 PolarHBondContact O-N 3.11Å; C118-N120 VanDerWaalsContact O-N 3.13Å; C118-N120 VanDerWaalsContact SG-CB 3.53Å; C118-N120 PolarHBondContact SG-ND2 2.75Å; C118-N120 VanDerWaalsContact SG-ND2 3.44Å; C118-H133 PolarHBondContact SG-CE1 2.91Å; C118-H133 PolarHBondContact SG-NE2 3.45Å; C118-H138 VanDerWaalsContact SG-CE1 3.58Å; C118-H138 PolarHBondContact SG-NE2 3.09Å; C118-G239 WeakPolarHBondContact CB-O 3.38Å; C118-F240 HydrophobicContact CB-CD2 4.36Å
119	L	63.6	Low	80.2	Confident	59 Å²	59	56.5 Å²	56.5	31%	0.309	29%	0.288	S	S	.	.			trans	59.9	16.1	-173.3	-54.5	166.6	0	0	0	114	M114 C115 A231	M114-L119 HydrophobicContact CE-CD2 4.11Å; M114-L119 HydrophobicContact CG-CB 4.39Å; M114-L119 HydrophobicContact CG-CD2 4.04Å; M114-L119 HydrophobicContact SD-CB 4.26Å; M114-L119 HydrophobicContact SD-CD2 3.67Å; C115-L119 WeakPolarHBondContact O-CA 3.46Å; C115-L119 PolarHBondContact O-N 3.05Å; L119-A231 HydrophobicContact CD1-CB 3.64Å
120	N	70	Confident	80.4	Confident	75 Å²	75	51.2 Å²	51.2	40%	0.401	26%	0.263	S	S	.	.			trans	-64	140.1	168	-69.5	-10.3	0	0	0	110.1	C115 C118 H133	C115-N120 PolarHBondContact N-O 3.47Å; C118-N120 PolarHBondContact O-N 3.11Å; C118-N120 VanDerWaalsContact O-N 3.13Å; C118-N120 VanDerWaalsContact SG-CB 3.53Å; C118-N120 PolarHBondContact SG-ND2 2.75Å; C118-N120 VanDerWaalsContact SG-ND2 3.44Å; N120-H133 PolarHBondContact ND2-CE1 2.91Å
121	L	82.1	Confident	80.5	Confident	108 Å²	108	50 Å²	50	57%	0.565	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	120.7	172.3	-168.5	70.5	0	0	0	109.9
122	I	87.1	Confident	80.8	Confident	23 Å²	23	43 Å²	43	12%	0.118	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	115.7	178.1	-58.5	176.4	0	0	0	107.4	S112 Y113 C115 S124 D129 L130 H133	S112-I122 WeakPolarHBondContact CA-O 3.29Å; S112-I122 WeakPolarHBondContact CB-O 3.34Å; Y113-I122 PolarHBondContact N-O 3.14Å; Y113-I122 VanDerWaalsContact N-O 3.12Å; Y113-I122 PolarHBondContact O-N 2.8Å; C115-I122 HydrophobicContact CB-CD1 4.48Å; I122-S124 PolarHBondContact O-N 3.41Å; I122-D129 HydrophobicContact CG2-CB 4.19Å; I122-L130 HydrophobicContact CD1-CB 4.14Å; I122-L130 HydrophobicContact CD1-CD1 3.62Å; I122-L130 HydrophobicContact CD1-CG 4.5Å; I122-H133 HydrophobicContact CD1-CB 3.46Å; I122-H133 VanDerWaalsContact CD1-CB 3.46Å; I122-H133 HydrophobicContact CG1-CB 4.41Å
123	Q	87.3	Confident	80.7	Confident	182 Å²	182	42.6 Å²	42.6	85%	0.85	22%	0.222	S	C	*	.	S	Bend	trans	-79.4	56.3	-174.1	-64.6	-178.7	-16.3	0	0	112.1
124	S	87.7	Confident	80.3	Confident	21 Å²	21	42.5 Å²	42.5	15%	0.147	22%	0.221	C	C	.	.			trans	-152.1	143.1	177.9	-173.2	0	0	0	0	110.5	K111 S112 Y113 I122 K126 D129	K111-S124 CarbonylContact O-C 3.43Å; S112-S124 WeakPolarHBondContact CA-O 3.46Å; Y113-S124 WeakPolarHBondContact CD2-O 3.37Å; I122-S124 PolarHBondContact O-N 3.41Å; S124-K126 VanDerWaalsContact C-N 3.29Å; S124-K126 WeakPolarHBondContact OG-CB 3.3Å; S124-K126 PolarHBondContact OG-N 2.96Å; S124-D129 VanDerWaalsContact CB-OD2 3.24Å; S124-D129 WeakPolarHBondContact CB-OD2 3.46Å; S124-D129 PolarHBondContact OG-OD2 3.21Å
125	C	86	Confident	80.5	Confident	66 Å²	66	38.9 Å²	38.9	45%	0.446	20%	0.204	S	C	.	.	S	Bend	trans	-83.8	-2.6	171.8	55.9	0	0	0	0	113.3	I110 Y113	I110-C125 VanDerWaalsContact O-CB 3.32Å; I110-C125 WeakPolarHBondContact O-CB 3.33Å; Y113-C125 VanDerWaalsContact CE2-C 3.41Å; Y113-C125 VanDerWaalsContact CE2-O 3.26Å; Y113-C125 WeakPolarHBondContact CE2-O 3.37Å; Y113-C125 PolarHBondContact OH-O 2.75Å
126	K	90.3	Very high	81.2	Confident	94 Å²	94	40.7 Å²	40.7	41%	0.409	21%	0.213	S	C	.	.			trans	-87.2	128.2	179.7	-77.5	158.1	147.9	-82.3	0	112.5	S124 E128 D129	S124-K126 VanDerWaalsContact C-N 3.29Å; S124-K126 WeakPolarHBondContact OG-CB 3.3Å; S124-K126 PolarHBondContact OG-N 2.96Å; K126-E128 VanDerWaalsContact C-N 3.34Å; K126-E128 HydrophobicContact CB-CG 4.36Å; K126-E128 WeakPolarHBondContact CB-OE2 3.36Å; K126-E128 WeakPolarHBondContact CG-OE1 3.37Å; K126-E128 IonicContact NZ-OE1 2.64Å; K126-E128 PolarHBondContact NZ-OE1 3.3Å; K126-E128 PolarHBondContact O-N 3.43Å; K126-D129 WeakPolarHBondContact CB-OD2 3.49Å; K126-D129 PolarHBondContact O-N 3.18Å
127	I	90.7	Very high	82	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-72.4	-26.8	-179.1	-164	155.4	0	0	0	113.2	I96 F99 N100 D129 L130 V131 P144 L149	I96-I127 HydrophobicContact CB-CG2 4.45Å; I96-I127 HydrophobicContact CG1-CG2 4.31Å; I96-I127 HydrophobicContact CG2-CG2 4.24Å; F99-I127 HydrophobicContact CB-CG2 4.25Å; F99-I127 HydrophobicContact CD1-CB 3.8Å; F99-I127 HydrophobicContact CD1-CD1 3.55Å; F99-I127 HydrophobicContact CD1-CG1 4.29Å; F99-I127 HydrophobicContact CD1-CG2 3.97Å; F99-I127 HydrophobicContact CD2-CD1 4.05Å; F99-I127 HydrophobicContact CE1-CB 4.2Å; F99-I127 HydrophobicContact CE1-CD1 3.56Å; F99-I127 HydrophobicContact CE1-CG1 4.41Å; F99-I127 HydrophobicContact CE2-CD1 4.08Å; F99-I127 HydrophobicContact CG-CD1 3.82Å; F99-I127 HydrophobicContact CG-CG2 4.33Å; F99-I127 HydrophobicContact CZ-CD1 3.85Å; N100-I127 WeakPolarHBondContact OD1-CG2 3.39Å; N100-I127 PolarHBondContact OD1-N 3.18Å; I127-D129 PolarHBondContact O-N 3.32Å; I127-L130 HydrophobicContact CG1-CD2 4.47Å; I127-L130 WeakPolarHBondContact O-CB 3.43Å; I127-L130 PolarHBondContact O-N 2.85Å; I127-L130 VanDerWaalsContact O-N 3.11Å; I127-V131 WeakPolarHBondContact O-CG2 3.38Å; I127-V131 PolarHBondContact O-N 3.36Å; I127-P144 HydrophobicContact CD1-CB 3.37Å; I127-P144 HydrophobicContact CD1-CG 4.09Å; I127-P144 HydrophobicContact CG1-CB 4.04Å; I127-P144 HydrophobicContact CG1-CG 4.42Å; I127-L149 HydrophobicContact CD1-CD1 3.69Å; I127-L149 HydrophobicContact CD1-CD2 4.23Å; I127-L149 HydrophobicContact CD1-CG 4.5Å
128	E	91.1	Very high	82.9	Confident	8 Å²	8	41.6 Å²	41.6	4%	0.037	22%	0.216	C	C	.	.	H	α-helix	trans	-62.6	-25.3	174.8	65.5	-86.4	-153.3	0	0	112.8	Q64 I96 N100 K126 S132	Q64-E128 HydrophobicContact CG-CG 4.06Å; I96-E128 HydrophobicContact CD1-CB 4.19Å; I96-E128 HydrophobicContact CG2-CB 4.07Å; I96-E128 HydrophobicContact CG2-CG 4.46Å; I96-E128 WeakPolarHBondContact CG2-OE2 3.35Å; N100-E128 PolarHBondContact ND2-OE2 3.01Å; K126-E128 VanDerWaalsContact C-N 3.34Å; K126-E128 HydrophobicContact CB-CG 4.36Å; K126-E128 WeakPolarHBondContact CB-OE2 3.36Å; K126-E128 WeakPolarHBondContact CG-OE1 3.37Å; K126-E128 IonicContact NZ-OE1 2.64Å; K126-E128 PolarHBondContact NZ-OE1 3.3Å; K126-E128 PolarHBondContact O-N 3.43Å; E128-S132 WeakPolarHBondContact O-CB 3.39Å; E128-S132 PolarHBondContact O-N 3.29Å; E128-S132 PolarHBondContact O-OG 3.17Å
129	D	92.2	Very high	83.5	Confident	39 Å²	39	47.6 Å²	47.6	21%	0.209	24%	0.241	C	C	.	.	H	α-helix	trans	-76.6	-34.9	174.3	-63.8	-33.1	0	0	0	111.3	Q64 I122 S124 K126 I127 S132 H133	Q64-D129 PolarHBondContact NE2-OD1 3.48Å; I122-D129 HydrophobicContact CG2-CB 4.19Å; S124-D129 VanDerWaalsContact CB-OD2 3.24Å; S124-D129 WeakPolarHBondContact CB-OD2 3.46Å; S124-D129 PolarHBondContact OG-OD2 3.21Å; K126-D129 WeakPolarHBondContact CB-OD2 3.49Å; K126-D129 PolarHBondContact O-N 3.18Å; I127-D129 PolarHBondContact O-N 3.32Å; D129-S132 PolarHBondContact O-N 2.78Å; D129-H133 WeakPolarHBondContact O-CB 3.34Å; D129-H133 PolarHBondContact O-N 3.11Å
130	L	88.8	Confident	83.5	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-44.6	168.7	173.6	64.9	0	0	0	111.4	Y113 C115 I122 I127 H133 I134 W142 L149	Y113-L130 HydrophobicContact CD2-CB 4.33Å; Y113-L130 HydrophobicContact CG-CD2 4.32Å; C115-L130 HydrophobicContact CB-CD1 4.27Å; I122-L130 HydrophobicContact CD1-CB 4.14Å; I122-L130 HydrophobicContact CD1-CD1 3.62Å; I122-L130 HydrophobicContact CD1-CG 4.5Å; I127-L130 HydrophobicContact CG1-CD2 4.47Å; I127-L130 WeakPolarHBondContact O-CB 3.43Å; I127-L130 PolarHBondContact O-N 2.85Å; I127-L130 VanDerWaalsContact O-N 3.11Å; L130-H133 PolarHBondContact O-N 3Å; L130-I134 HydrophobicContact CD1-CD1 3.81Å; L130-I134 HydrophobicContact CD1-CG1 4.31Å; L130-I134 HydrophobicContact CG-CD1 3.99Å; L130-I134 VanDerWaalsContact O-CG1 3.28Å; L130-I134 WeakPolarHBondContact O-CG1 3.41Å; L130-I134 PolarHBondContact O-N 2.96Å; L130-W142 HydrophobicContact CD2-CH2 3.91Å; L130-W142 HydrophobicContact CD2-CZ3 4.41Å; L130-W142 HydrophobicContact CG-CH2 4.29Å; L130-W142 HydrophobicContact CG-CZ3 4.38Å; L130-L149 HydrophobicContact CD2-CD2 3.93Å
131	V	88.4	Confident	83.5	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-46.9	174.5	-179.8	0	0	0	0	110.4	W47 L63 I127 H133 I134 I135 W142 P144	W47-V131 HydrophobicContact CH2-CB 4.46Å; W47-V131 HydrophobicContact CH2-CG1 3.87Å; W47-V131 HydrophobicContact CH2-CG2 3.85Å; W47-V131 HydrophobicContact CZ3-CG1 3.93Å; L63-V131 HydrophobicContact CD1-CG1 3.74Å; I127-V131 WeakPolarHBondContact O-CG2 3.38Å; I127-V131 PolarHBondContact O-N 3.36Å; V131-H133 VanDerWaalsContact C-N 3.34Å; V131-H133 PolarHBondContact O-N 3.01Å; V131-I134 PolarHBondContact O-N 3.49Å; V131-I134 VanDerWaalsContact O-N 3.13Å; V131-I135 HydrophobicContact CG1-CD1 3.55Å; V131-I135 HydrophobicContact CG1-CG1 4.15Å; V131-I135 WeakPolarHBondContact O-CB 3.46Å; V131-I135 WeakPolarHBondContact O-CG1 3.22Å; V131-I135 PolarHBondContact O-N 2.8Å; V131-W142 HydrophobicContact CB-CE3 4.35Å; V131-W142 HydrophobicContact CB-CZ3 4.47Å; V131-W142 HydrophobicContact CG2-CE3 3.78Å; V131-W142 HydrophobicContact CG2-CZ3 3.57Å; V131-P144 HydrophobicContact CG2-CG 4.46Å
132	S	90.6	Very high	83.2	Confident	15 Å²	15	43.6 Å²	43.6	11%	0.105	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-39.8	-179.3	-63.7	0	0	0	0	112.1	S60 E128 D129 N136	S60-S132 WeakPolarHBondContact CB-OG 3.43Å; E128-S132 WeakPolarHBondContact O-CB 3.39Å; E128-S132 PolarHBondContact O-N 3.29Å; E128-S132 PolarHBondContact O-OG 3.17Å; D129-S132 PolarHBondContact O-N 2.78Å; S132-N136 VanDerWaalsContact O-CB 3.23Å; S132-N136 WeakPolarHBondContact O-CB 3.43Å; S132-N136 PolarHBondContact O-N 3.45Å; S132-N136 PolarHBondContact O-ND2 3.18Å
133	H	86.5	Confident	82.9	Confident	35 Å²	35	48 Å²	48	16%	0.162	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-49.2	170.8	174.2	90.1	0	0	0	111.4	C115 C118 N120 I122 D129 L130 V131 I135 N136 I137 H138	C115-H133 PolarHBondContact SG-CD2 2.87Å; C115-H133 PolarHBondContact SG-NE2 2.63Å; C118-H133 PolarHBondContact SG-CE1 2.91Å; C118-H133 PolarHBondContact SG-NE2 3.45Å; N120-H133 PolarHBondContact ND2-CE1 2.91Å; I122-H133 HydrophobicContact CD1-CB 3.46Å; I122-H133 VanDerWaalsContact CD1-CB 3.46Å; I122-H133 HydrophobicContact CG1-CB 4.41Å; D129-H133 WeakPolarHBondContact O-CB 3.34Å; D129-H133 PolarHBondContact O-N 3.11Å; L130-H133 PolarHBondContact O-N 3Å; V131-H133 VanDerWaalsContact C-N 3.34Å; V131-H133 PolarHBondContact O-N 3.01Å; H133-I135 PolarHBondContact O-N 2.84Å; H133-N136 PolarHBondContact O-N 3.14Å; H133-I137 VanDerWaalsContact O-CB 3.27Å; H133-I137 WeakPolarHBondContact O-CB 3.42Å; H133-I137 WeakPolarHBondContact O-CG1 3.25Å; H133-I137 PolarHBondContact O-N 3.18Å; H133-H138 AromaticContact CD2-NE2 3.57Å; H133-H138 AromaticContact NE2-CD2 3.22Å; H133-H138 PolarHBondContact NE2-CD2 3.29Å; H133-H138 AromaticContact NE2-CE1 2.84Å; H133-H138 PolarHBondContact NE2-CE1 3.24Å; H133-H138 AromaticContact NE2-ND1 3.98Å; H133-H138 AromaticContact NE2-NE2 2.12Å; H133-H138 PolarHBondContact NE2-NE2 3.34Å
134	I	77.6	Confident	82.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	I	π-helix	trans	-66.2	-42.4	-176	-64.3	164.5	0	0	0	111.7	Y117 L130 V131 H138 K139 I140 W142	Y117-I134 HydrophobicContact CD2-CD1 4.24Å; Y117-I134 HydrophobicContact CD2-CG1 4.02Å; Y117-I134 HydrophobicContact CD2-CG2 4Å; Y117-I134 HydrophobicContact CE2-CD1 4.08Å; Y117-I134 HydrophobicContact CE2-CG1 4.2Å; Y117-I134 HydrophobicContact CE2-CG2 3.68Å; L130-I134 HydrophobicContact CD1-CD1 3.81Å; L130-I134 HydrophobicContact CD1-CG1 4.31Å; L130-I134 HydrophobicContact CG-CD1 3.99Å; L130-I134 VanDerWaalsContact O-CG1 3.28Å; L130-I134 WeakPolarHBondContact O-CG1 3.41Å; L130-I134 PolarHBondContact O-N 2.96Å; V131-I134 PolarHBondContact O-N 3.49Å; V131-I134 VanDerWaalsContact O-N 3.13Å; I134-H138 WeakPolarHBondContact O-CA 3.08Å; I134-H138 WeakPolarHBondContact O-CB 3.43Å; I134-H138 PolarHBondContact O-N 2.98Å; I134-H138 VanDerWaalsContact O-N 3.08Å; I134-K139 PolarHBondContact O-N 2.81Å; I134-I140 HydrophobicContact CG2-CB 4.08Å; I134-W142 HydrophobicContact CB-CB 4.22Å; I134-W142 HydrophobicContact CB-CG 4.42Å; I134-W142 HydrophobicContact CD1-CD2 3.53Å; I134-W142 HydrophobicContact CD1-CE3 3.76Å; I134-W142 HydrophobicContact CD1-CG 3.93Å; I134-W142 HydrophobicContact CD1-CH2 4.23Å; I134-W142 HydrophobicContact CD1-CZ2 4.05Å; I134-W142 HydrophobicContact CD1-CZ3 4.1Å; I134-W142 HydrophobicContact CG2-CB 3.48Å; I134-W142 VanDerWaalsContact CG2-CB 3.48Å; I134-W142 HydrophobicContact CG2-CD2 4.48Å; I134-W142 HydrophobicContact CG2-CG 3.79Å
135	I	81	Confident	81.8	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.197	C	C	.	.	I	π-helix	trans	-64.4	-46.9	176.3	-70	176.8	0	0	0	110.9	W44 G56 L59 L63 V131 H133 K139	W44-I135 HydrophobicContact CE3-CG2 4.05Å; W44-I135 HydrophobicContact CH2-CG2 4.36Å; W44-I135 HydrophobicContact CZ3-CB 4.38Å; W44-I135 HydrophobicContact CZ3-CG1 4.24Å; W44-I135 HydrophobicContact CZ3-CG2 3.74Å; G56-I135 VanDerWaalsContact C-CG2 3.47Å; G56-I135 WeakPolarHBondContact O-CG2 3.23Å; L59-I135 HydrophobicContact CD2-CD1 3.92Å; L59-I135 HydrophobicContact CG-CD1 4.15Å; L63-I135 HydrophobicContact CD1-CD1 3.88Å; V131-I135 HydrophobicContact CG1-CD1 3.55Å; V131-I135 HydrophobicContact CG1-CG1 4.15Å; V131-I135 WeakPolarHBondContact O-CB 3.46Å; V131-I135 WeakPolarHBondContact O-CG1 3.22Å; V131-I135 PolarHBondContact O-N 2.8Å; H133-I135 PolarHBondContact O-N 2.84Å; I135-K139 WeakPolarHBondContact O-CA 3.47Å; I135-K139 PolarHBondContact O-N 3.01Å
136	N	84.8	Confident	81.2	Confident	37 Å²	37	37 Å²	37	20%	0.198	18%	0.182	C	C	.	.	I	π-helix	trans	-82.8	-33.5	-172.8	-71.1	-56.9	0	0	0	114.4	F57 S60 S132 H133 K139	F57-N136 VanDerWaalsContact CA-OD1 3.32Å; F57-N136 WeakPolarHBondContact CA-OD1 3.41Å; S60-N136 WeakPolarHBondContact CB-ND2 3.48Å; S60-N136 PolarHBondContact OG-ND2 2.87Å; S132-N136 VanDerWaalsContact O-CB 3.23Å; S132-N136 WeakPolarHBondContact O-CB 3.43Å; S132-N136 PolarHBondContact O-N 3.45Å; S132-N136 PolarHBondContact O-ND2 3.18Å; H133-N136 PolarHBondContact O-N 3.14Å; N136-K139 WeakPolarHBondContact O-CE 3.32Å; N136-K139 PolarHBondContact O-NZ 3.4Å
137	I	80.9	Confident	79.8	Confident	75 Å²	75	35.1 Å²	35.1	39%	0.385	18%	0.184	S	C	.	.	I	π-helix	trans	-92.1	-47.8	-178.6	-54.2	-55.5	0	0	0	111.4	H133	H133-I137 VanDerWaalsContact O-CB 3.27Å; H133-I137 WeakPolarHBondContact O-CB 3.42Å; H133-I137 WeakPolarHBondContact O-CG1 3.25Å; H133-I137 PolarHBondContact O-N 3.18Å
138	H	72.5	Confident	78.6	Confident	23 Å²	23	36.5 Å²	36.5	11%	0.106	19%	0.193	C	C	.	.	I	π-helix	trans	-91.9	-10.7	-174.9	-52.5	-45.9	0	0	0	113.8	C115 Y117 C118 H133 I134 I140 G239	C115-H138 PolarHBondContact SG-NE2 3.38Å; Y117-H138 VanDerWaalsContact CB-CD2 3.45Å; Y117-H138 WeakPolarHBondContact CB-CD2 3.48Å; Y117-H138 AromaticContact CD2-CD2 3.84Å; Y117-H138 AromaticContact CG-CD2 3.86Å; C118-H138 VanDerWaalsContact SG-CE1 3.58Å; C118-H138 PolarHBondContact SG-NE2 3.09Å; H133-H138 AromaticContact CD2-NE2 3.57Å; H133-H138 AromaticContact NE2-CD2 3.22Å; H133-H138 PolarHBondContact NE2-CD2 3.29Å; H133-H138 AromaticContact NE2-CE1 2.84Å; H133-H138 PolarHBondContact NE2-CE1 3.24Å; H133-H138 AromaticContact NE2-ND1 3.98Å; H133-H138 AromaticContact NE2-NE2 2.12Å; H133-H138 PolarHBondContact NE2-NE2 3.34Å; I134-H138 WeakPolarHBondContact O-CA 3.08Å; I134-H138 WeakPolarHBondContact O-CB 3.43Å; I134-H138 PolarHBondContact O-N 2.98Å; I134-H138 VanDerWaalsContact O-N 3.08Å; H138-I140 HydrophobicContact CB-CD1 3.99Å; H138-I140 HydrophobicContact CB-CG1 4.1Å; H138-I140 PolarHBondContact O-N 3.48Å; H138-G239 PolarHBondContact CE1-O 2.88Å; H138-G239 PolarHBondContact ND1-O 3.35Å
139	K	74.9	Confident	77.8	Confident	137 Å²	137	36.1 Å²	36.1	60%	0.596	19%	0.192	S	C	*	.			trans	55.6	33.3	-176.3	-48.8	-52.7	-170.5	-169.9	0	112.8	W44 I134 I135 N136	W44-K139 WeakPolarHBondContact CH2-O 3.35Å; I134-K139 PolarHBondContact O-N 2.81Å; I135-K139 WeakPolarHBondContact O-CA 3.47Å; I135-K139 PolarHBondContact O-N 3.01Å; N136-K139 WeakPolarHBondContact O-CE 3.32Å; N136-K139 PolarHBondContact O-NZ 3.4Å
140	I	62.9	Low	76.5	Confident	51 Å²	51	35.1 Å²	35.1	26%	0.262	19%	0.189	S	C	.	.			trans	-101.3	127.9	176.8	-64	173.1	0	0	0	109.2	Y117 I134 H138 W142	Y117-I140 HydrophobicContact CD1-CD1 3.8Å; Y117-I140 HydrophobicContact CE1-CD1 3.33Å; Y117-I140 HydrophobicContact CE2-CD1 4.26Å; Y117-I140 HydrophobicContact CG-CD1 4.43Å; I134-I140 HydrophobicContact CG2-CB 4.08Å; H138-I140 HydrophobicContact CB-CD1 3.99Å; H138-I140 HydrophobicContact CB-CG1 4.1Å; H138-I140 PolarHBondContact O-N 3.48Å; I140-W142 VanDerWaalsContact C-N 3.31Å; I140-W142 HydrophobicContact CG2-CB 4.19Å; I140-W142 PolarHBondContact O-N 3.09Å
141	P	69.1	Low	75.3	Confident	91 Å²	91	37.3 Å²	37.3	59%	0.591	20%	0.199	S	C	*	.			trans	-71	88.9	167.4	29.8	-33.1	0	0	0	109.3	W44	W44-P141 HydrophobicContact CE3-CB 4.29Å; W44-P141 HydrophobicContact CZ3-CB 4.04Å
142	W	76.6	Confident	74.6	Confident	16 Å²	16	38.3 Å²	38.3	6%	0.061	20%	0.204	C	C	.	.			trans	-101.7	152.9	-172.6	-171.7	87.7	0	0	0	112.3	Y117 L130 V131 I134 I140 P144 S148 L149	Y117-W142 AromaticContact CE2-CD1 3.9Å; L130-W142 HydrophobicContact CD2-CH2 3.91Å; L130-W142 HydrophobicContact CD2-CZ3 4.41Å; L130-W142 HydrophobicContact CG-CH2 4.29Å; L130-W142 HydrophobicContact CG-CZ3 4.38Å; V131-W142 HydrophobicContact CB-CE3 4.35Å; V131-W142 HydrophobicContact CB-CZ3 4.47Å; V131-W142 HydrophobicContact CG2-CE3 3.78Å; V131-W142 HydrophobicContact CG2-CZ3 3.57Å; I134-W142 HydrophobicContact CB-CB 4.22Å; I134-W142 HydrophobicContact CB-CG 4.42Å; I134-W142 HydrophobicContact CD1-CD2 3.53Å; I134-W142 HydrophobicContact CD1-CE3 3.76Å; I134-W142 HydrophobicContact CD1-CG 3.93Å; I134-W142 HydrophobicContact CD1-CH2 4.23Å; I134-W142 HydrophobicContact CD1-CZ2 4.05Å; I134-W142 HydrophobicContact CD1-CZ3 4.1Å; I134-W142 HydrophobicContact CG2-CB 3.48Å; I134-W142 VanDerWaalsContact CG2-CB 3.48Å; I134-W142 HydrophobicContact CG2-CD2 4.48Å; I134-W142 HydrophobicContact CG2-CG 3.79Å; I140-W142 VanDerWaalsContact C-N 3.31Å; I140-W142 HydrophobicContact CG2-CB 4.19Å; I140-W142 PolarHBondContact O-N 3.09Å; W142-P144 HydrophobicContact CH2-CB 3.72Å; W142-P144 HydrophobicContact CZ3-CB 3.73Å; W142-P144 HydrophobicContact CZ3-CG 4.32Å; W142-S148 WeakPolarHBondContact CZ2-OG 3.46Å; W142-L149 HydrophobicContact CH2-CD2 3.64Å; W142-L149 HydrophobicContact CH2-CG 4.41Å; W142-L149 HydrophobicContact CZ2-CD2 3.97Å
143	R	80.3	Confident	73.5	Confident	117 Å²	117	38.9 Å²	38.9	44%	0.442	20%	0.204	S	C	.	.			trans	-139	136.7	177.8	-54.1	179.6	-179.5	-171.5	-7.8	108.9	W47 P93 S148	W47-R143 HydrophobicContact CB-CG 4.23Å; W47-R143 HydrophobicContact CD2-CB 4.31Å; W47-R143 HydrophobicContact CD2-CG 3.98Å; W47-R143 HydrophobicContact CE3-CB 4.41Å; W47-R143 HydrophobicContact CE3-CG 3.85Å; W47-R143 HydrophobicContact CG-CG 4.15Å; P93-R143 HydrophobicContact CB-CB 3.91Å; R143-S148 PolarHBondContact O-OG 2.86Å
144	P	78.4	Confident	72.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.23	C	C	.	.			trans	-76.9	122.8	178	31.1	-32.7	0	0	0	110.2	W47 P93 F94 I127 V131 W142 S148 L149	W47-P144 VanDerWaalsContact CZ2-CD 3.43Å; W47-P144 HydrophobicContact CZ2-CG 3.91Å; P93-P144 CarbonylContact C-O 3.43Å; P93-P144 WeakPolarHBondContact CA-O 3.33Å; P93-P144 WeakPolarHBondContact CB-O 3.49Å; F94-P144 HydrophobicContact CD2-CB 4.36Å; F94-P144 PolarHBondContact N-O 3.41Å; I127-P144 HydrophobicContact CD1-CB 3.37Å; I127-P144 HydrophobicContact CD1-CG 4.09Å; I127-P144 HydrophobicContact CG1-CB 4.04Å; I127-P144 HydrophobicContact CG1-CG 4.42Å; V131-P144 HydrophobicContact CG2-CG 4.46Å; W142-P144 HydrophobicContact CH2-CB 3.72Å; W142-P144 HydrophobicContact CZ3-CB 3.73Å; W142-P144 HydrophobicContact CZ3-CG 4.32Å; P144-S148 WeakPolarHBondContact CA-OG 3.33Å; P144-L149 HydrophobicContact CB-CD1 4.33Å; P144-L149 HydrophobicContact CB-CG 4.48Å
145	S	74.8	Confident	71.4	Confident	17 Å²	17	50.9 Å²	50.9	12%	0.119	27%	0.265	C	S	.	.			trans	-143.8	167.7	175.5	77.8	0	0	0	0	110.3	A92 F94 A147 S148 L149	A92-S145 WeakPolarHBondContact O-CB 3.36Å; F94-S145 VanDerWaalsContact CE2-C 3.42Å; S145-A147 PolarHBondContact O-N 3.38Å; S145-A147 VanDerWaalsContact O-N 3.07Å; S145-A147 PolarHBondContact OG-N 2.93Å; S145-S148 PolarHBondContact N-OG 3.07Å; S145-S148 PolarHBondContact O-N 3.49Å; S145-S148 VanDerWaalsContact O-N 3.1Å; S145-S148 PolarHBondContact OG-N 3.34Å; S145-L149 WeakPolarHBondContact O-CB 2.89Å; S145-L149 PolarHBondContact O-N 3.5Å
146	P	72.1	Confident	69.9	Low	19 Å²	19	51.8 Å²	51.8	12%	0.123	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-28.3	176	-29.8	37.9	0	0	0	114.3	N90 F94	N90-P146 WeakPolarHBondContact O-CD 3.46Å; N90-P146 VanDerWaalsContact O-CG 3.28Å; N90-P146 WeakPolarHBondContact O-CG 3.26Å; F94-P146 HydrophobicContact CE1-CG 4.07Å; F94-P146 HydrophobicContact CE2-CG 4.14Å; F94-P146 HydrophobicContact CZ-CB 4.41Å; F94-P146 HydrophobicContact CZ-CG 3.55Å
147	A	61.1	Low	68.1	Low	55 Å²	55	51.4 Å²	51.4	46%	0.455	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-41.5	175.6	0	0	0	0	0	113	S145 A150	S145-A147 PolarHBondContact O-N 3.38Å; S145-A147 VanDerWaalsContact O-N 3.07Å; S145-A147 PolarHBondContact OG-N 2.93Å; A147-A150 WeakPolarHBondContact O-CB 3.28Å; A147-A150 PolarHBondContact O-N 3.23Å
148	S	66.6	Low	66.5	Low	29 Å²	29	50 Å²	50	20%	0.203	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.5	-177.1	74.3	0	0	0	0	114.3	W142 R143 P144 S145 H151	W142-S148 WeakPolarHBondContact CZ2-OG 3.46Å; R143-S148 PolarHBondContact O-OG 2.86Å; P144-S148 WeakPolarHBondContact CA-OG 3.33Å; S145-S148 PolarHBondContact N-OG 3.07Å; S145-S148 PolarHBondContact O-N 3.49Å; S145-S148 VanDerWaalsContact O-N 3.1Å; S145-S148 PolarHBondContact OG-N 3.34Å; S148-H151 PolarHBondContact O-ND1 3.28Å
149	L	74.6	Confident	65	Low	1 Å²	1	52.9 Å²	52.9	1%	0.005	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	2.8	171.3	-66.7	-177	0	0	0	114	P80 F94 F99 I127 L130 W142 P144 S145 H151 L152	P80-L149 HydrophobicContact CG-CB 4.16Å; P80-L149 HydrophobicContact CG-CD1 4.31Å; F94-L149 HydrophobicContact CD2-CD1 4.01Å; F94-L149 HydrophobicContact CE2-CD1 3.81Å; F99-L149 HydrophobicContact CD2-CD1 4.19Å; F99-L149 HydrophobicContact CE2-CD1 3.34Å; F99-L149 HydrophobicContact CZ-CD1 3.57Å; I127-L149 HydrophobicContact CD1-CD1 3.69Å; I127-L149 HydrophobicContact CD1-CD2 4.23Å; I127-L149 HydrophobicContact CD1-CG 4.5Å; L130-L149 HydrophobicContact CD2-CD2 3.93Å; W142-L149 HydrophobicContact CH2-CD2 3.64Å; W142-L149 HydrophobicContact CH2-CG 4.41Å; W142-L149 HydrophobicContact CZ2-CD2 3.97Å; P144-L149 HydrophobicContact CB-CD1 4.33Å; P144-L149 HydrophobicContact CB-CG 4.48Å; S145-L149 WeakPolarHBondContact O-CB 2.89Å; S145-L149 PolarHBondContact O-N 3.5Å; L149-H151 PolarHBondContact O-N 3.46Å; L149-H151 VanDerWaalsContact O-N 3.1Å; L149-L152 HydrophobicContact CD2-CD1 3.98Å; L149-L152 WeakPolarHBondContact O-CB 3.4Å; L149-L152 PolarHBondContact O-N 2.94Å
150	A	64.4	Low	63.7	Low	18 Å²	18	48 Å²	48	15%	0.149	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-55.4	-35.5	-172.5	0	0	0	0	0	112.7	A147 L152 R153 L202	A147-A150 WeakPolarHBondContact O-CB 3.28Å; A147-A150 PolarHBondContact O-N 3.23Å; A150-L152 PolarHBondContact O-N 2.97Å; A150-R153 WeakPolarHBondContact O-CB 3.32Å; A150-R153 WeakPolarHBondContact O-CG 3.44Å; A150-R153 PolarHBondContact O-N 3.48Å; A150-L202 HydrophobicContact CB-CD1 3.96Å; A150-L202 WeakPolarHBondContact O-CD1 3.44Å
151	H	63.3	Low	63	Low	47 Å²	47	46.9 Å²	46.9	22%	0.218	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-62.8	-8.4	-179.6	71.2	-71.5	0	0	0	115	M114 S148 L149	M114-H151 PolarHBondContact O-NE2 3.35Å; S148-H151 PolarHBondContact O-ND1 3.28Å; L149-H151 PolarHBondContact O-N 3.46Å; L149-H151 VanDerWaalsContact O-N 3.1Å
152	L	72.9	Confident	61.9	Low	20 Å²	20	43.4 Å²	43.4	11%	0.105	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-89.4	4.9	173.7	-57.9	178.4	0	0	0	113.3	P80 F81 Y113 M114 L149 A150 E154	P80-L152 HydrophobicContact CB-CB 4.05Å; P80-L152 HydrophobicContact CG-CB 4.39Å; F81-L152 HydrophobicContact CE1-CB 4.06Å; F81-L152 HydrophobicContact CZ-CB 4.31Å; F81-L152 HydrophobicContact CZ-CD1 4.08Å; Y113-L152 HydrophobicContact CD1-CD1 3.97Å; M114-L152 HydrophobicContact CB-CD2 4.34Å; L149-L152 HydrophobicContact CD2-CD1 3.98Å; L149-L152 WeakPolarHBondContact O-CB 3.4Å; L149-L152 PolarHBondContact O-N 2.94Å; A150-L152 PolarHBondContact O-N 2.97Å; L152-E154 PolarHBondContact O-N 2.73Å
153	R	68.3	Low	60.4	Low	27 Å²	27	43.7 Å²	43.7	10%	0.102	23%	0.23	C	C	.	.			trans	-84.3	99.9	178.9	-68.4	-161.5	172.3	-93	3.1	112.2	G78 C79 P80 C82 A150 N155 Q156	G78-R153 PolarHBondContact O-NH2 2.73Å; C79-R153 PolarHBondContact O-NH2 3.48Å; P80-R153 HydrophobicContact CB-CG 4.09Å; P80-R153 WeakPolarHBondContact O-CG 3.27Å; P80-R153 VanDerWaalsContact O-CZ 3.3Å; P80-R153 PolarHBondContact O-NH1 3.03Å; C82-R153 PolarHBondContact O-NH1 3.35Å; A150-R153 WeakPolarHBondContact O-CB 3.32Å; A150-R153 WeakPolarHBondContact O-CG 3.44Å; A150-R153 PolarHBondContact O-N 3.48Å; R153-N155 PolarHBondContact O-N 3.4Å; R153-Q156 PolarHBondContact O-N 2.7Å
154	E	62.5	Low	58.7	Low	151 Å²	151	38.2 Å²	38.2	71%	0.706	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-32.4	176.1	-59.3	-179.8	172.8	0	0	113.4	L152 Q156 L220	L152-E154 PolarHBondContact O-N 2.73Å; E154-Q156 PolarHBondContact O-N 3.26Å; E154-L220 VanDerWaalsContact O-CD2 3.32Å; E154-L220 WeakPolarHBondContact O-CD2 3.45Å
155	N	57.2	Low	57	Low	136 Å²	136	43.1 Å²	43.1	73%	0.727	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	13.3	-178.3	-66.4	-26.3	0	0	0	114.6	R153	R153-N155 PolarHBondContact O-N 3.4Å
156	Q	50.6	Low	55.4	Low	20 Å²	20	43 Å²	43	9%	0.093	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	139.7	178.8	-63.9	-168.9	-25.6	0	0	110.7	R153 E154 L202	R153-Q156 PolarHBondContact O-N 2.7Å; E154-Q156 PolarHBondContact O-N 3.26Å; Q156-L202 HydrophobicContact CB-CB 4.3Å
157	L	45.7	Very low	54.1	Low	30 Å²	30	44.4 Å²	44.4	16%	0.157	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	134.5	175.8	-89.8	175.3	0	0	0	110	H159 T203 L205 V219 L220	L157-H159 PolarHBondContact O-N 3.33Å; L157-T203 PolarHBondContact N-O 3.23Å; L157-T203 PolarHBondContact O-N 3.4Å; L157-L205 HydrophobicContact CD1-CD2 3.65Å; L157-L205 HydrophobicContact CD1-CG 4.29Å; L157-L205 HydrophobicContact CG-CD1 4.37Å; L157-L205 HydrophobicContact CG-CD2 3.91Å; L157-L205 HydrophobicContact CG-CG 4.05Å; L157-V219 HydrophobicContact CD1-CG1 3.76Å; L157-V219 HydrophobicContact CD2-CG1 3.9Å; L157-V219 HydrophobicContact CG-CG1 4.17Å; L157-L220 HydrophobicContact CD2-CD2 4.48Å
158	P	46.9	Very low	53	Low	46 Å²	46	44.1 Å²	44.1	30%	0.299	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	74.4	169.1	31.5	-34.4	0	0	0	110.3	R160 L202	P158-R160 WeakPolarHBondContact O-CG 3.48Å; P158-R160 PolarHBondContact O-N 3.48Å; P158-L202 HydrophobicContact CB-CD2 4.32Å
159	H	41.7	Very low	51.8	Low	82 Å²	82	51.2 Å²	51.2	38%	0.38	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	110.4	161	-86.3	-140.8	0	0	0	107.3	L157 V161 H201 T203	L157-H159 PolarHBondContact O-N 3.33Å; H159-V161 PolarHBondContact O-N 2.95Å; H159-H201 WeakPolarHBondContact CB-O 3.22Å; H159-T203 PolarHBondContact ND1-OG1 3.43Å
160	R	48.6	Very low	50.4	Low	36 Å²	36	53.4 Å²	53.4	14%	0.136	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	58.7	-174.1	-77.9	150.7	153.7	-119.4	-16.1	109.5	P158 V162 F172 L174 A179 S227	P158-R160 WeakPolarHBondContact O-CG 3.48Å; P158-R160 PolarHBondContact O-N 3.48Å; R160-V162 PolarHBondContact O-N 3.21Å; R160-F172 VanDerWaalsContact O-O 3.12Å; R160-L174 HydrophobicContact CB-CB 3.58Å; R160-L174 HydrophobicContact CB-CD1 3.62Å; R160-L174 HydrophobicContact CB-CG 4.2Å; R160-L174 WeakPolarHBondContact O-CB 3.25Å; R160-L174 PolarHBondContact O-N 3.47Å; R160-L174 VanDerWaalsContact O-N 3.11Å; R160-A179 PolarHBondContact NH1-O 2.9Å; R160-S227 PolarHBondContact NE-OG 3.07Å; R160-S227 VanDerWaalsContact NH2-CA 3.35Å; R160-S227 PolarHBondContact NH2-O 3.09Å
161	V	46.8	Very low	49.4	Very low	27 Å²	27	56.7 Å²	56.7	16%	0.164	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	107.8	162.5	-173.3	0	0	0	0	106.5	H159 F172 V173 Q199 V200 H201	H159-V161 PolarHBondContact O-N 2.95Å; V161-F172 WeakPolarHBondContact CA-O 3.28Å; V161-V173 HydrophobicContact CG2-CG2 4.35Å; V161-Q199 VanDerWaalsContact O-O 3.12Å; V161-V200 WeakPolarHBondContact O-CA 3.4Å; V161-H201 HydrophobicContact CB-CB 4.03Å; V161-H201 HydrophobicContact CG2-CB 4.31Å
162	V	47.4	Very low	48.8	Very low	18 Å²	18	55.4 Å²	55.4	11%	0.109	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	112.8	174.8	177.1	0	0	0	0	107.7	R160 F172 L174	R160-V162 PolarHBondContact O-N 3.21Å; V162-F172 PolarHBondContact N-O 3.29Å; V162-F172 WeakPolarHBondContact O-CD2 3.43Å; V162-F172 PolarHBondContact O-N 3.03Å; V162-L174 HydrophobicContact CG2-CD1 4.14Å
163	T	43.3	Very low	47.5	Very low	22 Å²	22	58.8 Å²	58.8	14%	0.135	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	155.2	165.3	76.9	0	0	0	0	109.7	C170 T171 G198 Q199	T163-C170 CarbonylContact C-O 3.38Å; T163-C170 VanDerWaalsContact CA-O 3.25Å; T163-C170 WeakPolarHBondContact CA-O 3.29Å; T163-T171 HydrophobicContact CG2-CG2 3.95Å; T163-G198 WeakPolarHBondContact O-CA 3.49Å; T163-Q199 HydrophobicContact CG2-CB 4.25Å; T163-Q199 PolarHBondContact N-O 3.22Å; T163-Q199 WeakPolarHBondContact OG1-CB 3.32Å; T163-Q199 PolarHBondContact OG1-N 3.23Å
164	C	45.3	Very low	46.6	Very low	2 Å²	2	58.2 Å²	58.2	1%	0.014	32%	0.318	C	S	.	.			trans	-87.4	110.4	152.9	-165.1	0	0	0	0	107.3	G166 G168 C170 H189 C193 G197	C164-G166 PolarHBondContact O-N 3.11Å; C164-G166 VanDerWaalsContact O-N 3.16Å; C164-G166 PolarHBondContact SG-N 3.19Å; C164-G168 WeakPolarHBondContact O-CA 3.42Å; C164-G168 PolarHBondContact O-N 3.25Å; C164-C170 PolarHBondContact N-O 2.8Å; C164-H189 WeakPolarHBondContact CB-NE2 3.11Å; C164-C193 HydrophobicContact CB-CB 4.44Å; C164-C193 WeakPolarHBondContact CB-SG 3.36Å; C164-C193 WeakPolarHBondContact SG-CB 3.38Å; C164-C193 CovalentContact SG-SG 2.08Å; C164-C193 PolarHBondContact SG-SG 3.2Å; C164-G197 CarbonylContact C-O 3.54Å; C164-G197 VanDerWaalsContact CA-O 3.28Å; C164-G197 WeakPolarHBondContact CA-O 3.4Å
165	L	43.6	Very low	45.5	Very low	103 Å²	103	58.2 Å²	58.2	54%	0.539	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-17	168.1	-75.2	169.6	0	0	0	111.1	G197 Q199	L165-G197 PolarHBondContact N-O 3.28Å; L165-Q199 HydrophobicContact CD2-CB 4.44Å
166	G	40.6	Very low	44.4	Very low	13 Å²	13	54.9 Å²	54.9	13%	0.134	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-43.9	-178.9	0	0	0	0	0	113.8	C164 F195	C164-G166 PolarHBondContact O-N 3.11Å; C164-G166 VanDerWaalsContact O-N 3.16Å; C164-G166 PolarHBondContact SG-N 3.19Å; G166-F195 WeakPolarHBondContact CA-O 3.48Å; G166-F195 WeakPolarHBondContact O-CB 3.23Å; G166-F195 WeakPolarHBondContact O-CD2 3.49Å
167	C	44.6	Very low	43.7	Very low	49 Å²	49	61 Å²	61	33%	0.331	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-31.9	167.9	64.3	0	0	0	0	111.9	W169 C170 C193	C167-W169 VanDerWaalsContact C-N 3.3Å; C167-W169 PolarHBondContact O-NE1 3.4Å; C167-W169 PolarHBondContact SG-N 3.28Å; C167-W169 VanDerWaalsContact SG-N 3.43Å; C167-C170 PolarHBondContact SG-N 3.14Å; C167-C193 PolarHBondContact N-SG 2.75Å; C167-C193 VanDerWaalsContact N-SG 3.37Å
168	G	39	Very low	43.3	Very low	49 Å²	49	65.4 Å²	65.4	51%	0.505	36%	0.359	S	S	.	.	S	Bend	trans	86.4	-14.1	-173.3	0	0	0	0	0	114.7	C164	C164-G168 WeakPolarHBondContact O-CA 3.42Å; C164-G168 PolarHBondContact O-N 3.25Å
169	W	41.2	Very low	43	Very low	179 Å²	179	63.4 Å²	63.4	68%	0.678	35%	0.347	S	S	*	.			trans	-111.5	-26.8	-169	-58.5	92.3	0	0	0	115.1	C167 T171	C167-W169 VanDerWaalsContact C-N 3.3Å; C167-W169 PolarHBondContact O-NE1 3.4Å; C167-W169 PolarHBondContact SG-N 3.28Å; C167-W169 VanDerWaalsContact SG-N 3.43Å; W169-T171 PolarHBondContact O-N 3.22Å
170	C	43.9	Very low	42.9	Very low	46 Å²	46	61 Å²	61	31%	0.311	34%	0.341	S	S	.	.			trans	-85.2	115.7	-174.7	-61.9	0	0	0	0	111.2	T163 C164 C167 F172 H189	T163-C170 CarbonylContact C-O 3.38Å; T163-C170 VanDerWaalsContact CA-O 3.25Å; T163-C170 WeakPolarHBondContact CA-O 3.29Å; C164-C170 PolarHBondContact N-O 2.8Å; C167-C170 PolarHBondContact SG-N 3.14Å; C170-F172 HydrophobicContact CB-CE2 3.73Å; C170-F172 HydrophobicContact CB-CZ 3.93Å; C170-H189 PolarHBondContact SG-CE1 3Å
171	T	44.2	Very low	42.4	Very low	87 Å²	87	65.4 Å²	65.4	53%	0.534	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.9	-179.9	65.7	0	0	0	0	111.8	T163 W169	T163-T171 HydrophobicContact CG2-CG2 3.95Å; W169-T171 PolarHBondContact O-N 3.22Å
172	F	51.3	Low	42.4	Very low	21 Å²	21	64.9 Å²	64.9	9%	0.092	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	109.5	-177.6	-59.2	-84.5	0	0	0	110.5	R160 V161 V162 C170 L174 P183 S185 L186 H189	R160-F172 VanDerWaalsContact O-O 3.12Å; V161-F172 WeakPolarHBondContact CA-O 3.28Å; V162-F172 PolarHBondContact N-O 3.29Å; V162-F172 WeakPolarHBondContact O-CD2 3.43Å; V162-F172 PolarHBondContact O-N 3.03Å; C170-F172 HydrophobicContact CB-CE2 3.73Å; C170-F172 HydrophobicContact CB-CZ 3.93Å; F172-L174 PolarHBondContact O-N 2.84Å; F172-P183 HydrophobicContact CB-CG 4.28Å; F172-P183 HydrophobicContact CD1-CG 4.24Å; F172-S185 WeakPolarHBondContact CE1-O 3.42Å; F172-L186 HydrophobicContact CD1-CB 3.93Å; F172-L186 HydrophobicContact CD1-CD1 4.45Å; F172-L186 HydrophobicContact CD2-CD1 3.58Å; F172-L186 HydrophobicContact CE1-CB 4.26Å; F172-L186 HydrophobicContact CE2-CD1 3.82Å; F172-L186 HydrophobicContact CG-CB 4.11Å; F172-L186 HydrophobicContact CG-CD1 3.94Å; F172-L186 HydrophobicContact CG-CG 4.5Å; F172-L186 HydrophobicContact CZ-CD1 4.37Å; F172-H189 HydrophobicContact CE1-CB 4.28Å; F172-H189 HydrophobicContact CE2-CB 4.35Å; F172-H189 AromaticContact CE2-CD2 3.43Å; F172-H189 VanDerWaalsContact CE2-CD2 3.43Å; F172-H189 WeakPolarHBondContact CE2-CD2 3.42Å; F172-H189 AromaticContact CE2-CG 3.98Å; F172-H189 HydrophobicContact CZ-CB 3.57Å; F172-H189 AromaticContact CZ-CD2 3.49Å; F172-H189 VanDerWaalsContact CZ-CD2 3.49Å; F172-H189 WeakPolarHBondContact CZ-CD2 3.46Å; F172-H189 AromaticContact CZ-CG 3.52Å
173	V	45.8	Very low	42.6	Very low	91 Å²	91	66 Å²	66	55%	0.552	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	101.9	177.8	-175.8	0	0	0	0	110	V161 R175	V161-V173 HydrophobicContact CG2-CG2 4.35Å; V173-R175 PolarHBondContact O-N 3.45Å
174	L	48.3	Very low	43	Very low	15 Å²	15	70.1 Å²	70.1	8%	0.079	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	103.8	168.4	-80.7	147.1	0	0	0	109.9	R160 V162 F172 Q181 F230	R160-L174 HydrophobicContact CB-CB 3.58Å; R160-L174 HydrophobicContact CB-CD1 3.62Å; R160-L174 HydrophobicContact CB-CG 4.2Å; R160-L174 WeakPolarHBondContact O-CB 3.25Å; R160-L174 PolarHBondContact O-N 3.47Å; R160-L174 VanDerWaalsContact O-N 3.11Å; V162-L174 HydrophobicContact CG2-CD1 4.14Å; F172-L174 PolarHBondContact O-N 2.84Å; L174-Q181 WeakPolarHBondContact CD2-O 3.41Å; L174-F230 HydrophobicContact CD1-CE2 4.3Å; L174-F230 HydrophobicContact CD1-CZ 4.39Å; L174-F230 HydrophobicContact CD2-CE2 3.99Å
175	R	38.7	Very low	43.3	Very low	151 Å²	151	72.9 Å²	72.9	57%	0.57	41%	0.413	S	S	*	.			trans	-67	134.1	176.5	-65.4	178.4	177.4	159.7	-0.5	110.7	V173 N177 N178 A179	V173-R175 PolarHBondContact O-N 3.45Å; R175-N177 VanDerWaalsContact C-N 3.35Å; R175-N177 PolarHBondContact O-N 3.31Å; R175-N178 CarbonylContact O-C 3.58Å; R175-N178 PolarHBondContact O-N 2.9Å; R175-A179 WeakPolarHBondContact O-CB 3.29Å; R175-A179 PolarHBondContact O-N 3.39Å
176	A	34.6	Very low	44	Very low	66 Å²	66	68.1 Å²	68.1	55%	0.545	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-44.7	-53.2	-177.1	0	0	0	0	0	113.6	N178 A179	A176-N178 PolarHBondContact O-N 2.78Å; A176-A179 WeakPolarHBondContact O-CB 3.29Å; A176-A179 PolarHBondContact O-N 2.77Å
177	N	35.9	Very low	44.6	Very low	147 Å²	147	73.2 Å²	73.2	79%	0.786	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-60.2	-18.1	-177	-50.7	64.6	0	0	0	114.9	R175	R175-N177 VanDerWaalsContact C-N 3.35Å; R175-N177 PolarHBondContact O-N 3.31Å
178	N	37.7	Very low	45.3	Very low	123 Å²	123	74.6 Å²	74.6	66%	0.658	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-120	7.6	178	-79.9	27.9	0	0	0	112.7	R175 A176 A180 Q181	R175-N178 CarbonylContact O-C 3.58Å; R175-N178 PolarHBondContact O-N 2.9Å; A176-N178 PolarHBondContact O-N 2.78Å; N178-A180 PolarHBondContact O-N 2.98Å; N178-Q181 PolarHBondContact O-N 2.83Å
179	A	39.9	Very low	46.3	Very low	5 Å²	5	73.7 Å²	73.7	4%	0.041	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	5.5	-164.1	0	0	0	0	0	115.7	R160 R175 A176 I226 F230	R160-A179 PolarHBondContact NH1-O 2.9Å; R175-A179 WeakPolarHBondContact O-CB 3.29Å; R175-A179 PolarHBondContact O-N 3.39Å; A176-A179 WeakPolarHBondContact O-CB 3.29Å; A176-A179 PolarHBondContact O-N 2.77Å; A179-I226 HydrophobicContact CB-CG2 3.45Å; A179-I226 VanDerWaalsContact CB-CG2 3.45Å; A179-F230 WeakPolarHBondContact O-CB 3.33Å; A179-F230 WeakPolarHBondContact O-CD2 3.48Å
180	A	39.8	Very low	46.9	Very low	31 Å²	31	67.7 Å²	67.7	26%	0.256	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-13.6	163.5	0	0	0	0	0	114.2	N178 T229 F234	N178-A180 PolarHBondContact O-N 2.98Å; A180-T229 HydrophobicContact CB-CG2 3.95Å; A180-F234 VanDerWaalsContact O-CD2 3.3Å; A180-F234 WeakPolarHBondContact O-CD2 3.2Å; A180-F234 WeakPolarHBondContact O-CE2 3.48Å
181	Q	38.3	Very low	47.4	Very low	129 Å²	129	71.6 Å²	71.6	60%	0.603	40%	0.396	S	S	*	.	S	Bend	trans	-126.4	140.7	175	-54.9	-151.5	-31.8	0	0	112.7	L174 N178 F234	L174-Q181 WeakPolarHBondContact CD2-O 3.41Å; N178-Q181 PolarHBondContact O-N 2.83Å; Q181-F234 HydrophobicContact CB-CE2 3.89Å; Q181-F234 HydrophobicContact CB-CZ 4.22Å; Q181-F234 HydrophobicContact CG-CE2 3.78Å; Q181-F234 HydrophobicContact CG-CZ 4.18Å
182	P	46.6	Very low	48	Very low	16 Å²	16	75.1 Å²	75.1	10%	0.104	40%	0.399	C	S	.	.			trans	-63.1	146.6	165.8	31.1	-35.9	0	0	0	110.1	T184 L186 F230 F234 V237	P182-T184 PolarHBondContact O-N 3.47Å; P182-L186 HydrophobicContact CB-CB 4.44Å; P182-L186 HydrophobicContact CB-CD2 3.95Å; P182-F230 HydrophobicContact CB-CE2 4.5Å; P182-F234 VanDerWaalsContact CD-CE2 3.46Å; P182-F234 HydrophobicContact CG-CD1 3.47Å; P182-F234 VanDerWaalsContact CG-CD1 3.47Å; P182-F234 HydrophobicContact CG-CD2 4.3Å; P182-F234 HydrophobicContact CG-CE1 3.69Å; P182-F234 HydrophobicContact CG-CG 3.81Å; P182-F234 HydrophobicContact CG-CZ 4.23Å; P182-V237 HydrophobicContact CB-CG2 4.2Å; P182-V237 HydrophobicContact CG-CG2 4.12Å
183	P	51.8	Low	47.8	Very low	41 Å²	41	74.6 Å²	74.6	27%	0.266	40%	0.398	S	S	.	.			trans	-62.7	139.9	165.8	29.8	-33.7	0	0	0	108.4	F172 S185 L186	F172-P183 HydrophobicContact CB-CG 4.28Å; F172-P183 HydrophobicContact CD1-CG 4.24Å; P183-S185 PolarHBondContact O-N 3.13Å; P183-L186 HydrophobicContact CG-CB 4.13Å; P183-L186 WeakPolarHBondContact O-CB 3.48Å; P183-L186 PolarHBondContact O-N 3.46Å
184	T	51.3	Low	48.1	Very low	108 Å²	108	75.4 Å²	75.4	66%	0.663	41%	0.408	S	S	*	.	H	α-helix	trans	-54.5	-28.1	-178.6	-41	0	0	0	0	112.6	P182 L186 E187 T188	P182-T184 PolarHBondContact O-N 3.47Å; T184-L186 VanDerWaalsContact C-N 3.26Å; T184-L186 PolarHBondContact O-N 2.88Å; T184-E187 PolarHBondContact O-N 3.27Å; T184-T188 PolarHBondContact O-N 3.15Å; T184-T188 PolarHBondContact O-OG1 3.11Å
185	S	53	Low	47.6	Very low	60 Å²	60	82.4 Å²	82.4	42%	0.42	44%	0.438	S	S	.	.	H	α-helix	trans	-62.2	-25.6	174	57	0	0	0	0	114.6	F172 P183 T188 H189	F172-S185 WeakPolarHBondContact CE1-O 3.42Å; P183-S185 PolarHBondContact O-N 3.13Å; S185-T188 WeakPolarHBondContact CA-OG1 3.42Å; S185-T188 PolarHBondContact O-OG1 2.97Å; S185-T188 VanDerWaalsContact O-OG1 3.14Å; S185-H189 WeakPolarHBondContact O-CB 3.39Å; S185-H189 PolarHBondContact O-N 3.35Å
186	L	56.9	Low	47.7	Very low	4 Å²	4	82 Å²	82	2%	0.021	45%	0.447	C	S	.	.	H	α-helix	trans	-73.9	-38	175.9	177.2	59.5	0	0	0	111.3	F172 P182 P183 T184 H189 M190 V237	F172-L186 HydrophobicContact CD1-CB 3.93Å; F172-L186 HydrophobicContact CD1-CD1 4.45Å; F172-L186 HydrophobicContact CD2-CD1 3.58Å; F172-L186 HydrophobicContact CE1-CB 4.26Å; F172-L186 HydrophobicContact CE2-CD1 3.82Å; F172-L186 HydrophobicContact CG-CB 4.11Å; F172-L186 HydrophobicContact CG-CD1 3.94Å; F172-L186 HydrophobicContact CG-CG 4.5Å; F172-L186 HydrophobicContact CZ-CD1 4.37Å; P182-L186 HydrophobicContact CB-CB 4.44Å; P182-L186 HydrophobicContact CB-CD2 3.95Å; P183-L186 HydrophobicContact CG-CB 4.13Å; P183-L186 WeakPolarHBondContact O-CB 3.48Å; P183-L186 PolarHBondContact O-N 3.46Å; T184-L186 VanDerWaalsContact C-N 3.26Å; T184-L186 PolarHBondContact O-N 2.88Å; L186-H189 PolarHBondContact O-N 3.25Å; L186-M190 HydrophobicContact CD1-CG 3.85Å; L186-M190 HydrophobicContact CD1-SD 4.45Å; L186-M190 HydrophobicContact CG-CG 4.28Å; L186-M190 WeakPolarHBondContact O-CB 3.3Å; L186-M190 WeakPolarHBondContact O-CG 3.02Å; L186-M190 PolarHBondContact O-N 3.15Å; L186-V237 HydrophobicContact CD2-CG1 3.62Å
187	E	53.7	Low	47.6	Very low	119 Å²	119	79.2 Å²	79.2	56%	0.556	43%	0.425	S	S	*	.	H	α-helix	trans	-69.8	-47.4	177.2	-175.4	175.3	-170.7	0	0	111.1	T184 H189 M190 N191	T184-E187 PolarHBondContact O-N 3.27Å; E187-H189 PolarHBondContact O-N 3.48Å; E187-M190 PolarHBondContact O-N 2.9Å; E187-N191 PolarHBondContact O-N 3.47Å; E187-N191 VanDerWaalsContact O-N 3.07Å; E187-N191 PolarHBondContact O-ND2 3.1Å; E187-N191 VanDerWaalsContact O-ND2 3.08Å
188	T	59.9	Low	47.5	Very low	79 Å²	79	72.6 Å²	72.6	49%	0.485	39%	0.392	S	S	.	.	H	α-helix	trans	-61.7	-31.5	174.6	56.7	0	0	0	0	112.4	T184 S185 R192	T184-T188 PolarHBondContact O-N 3.15Å; T184-T188 PolarHBondContact O-OG1 3.11Å; S185-T188 WeakPolarHBondContact CA-OG1 3.42Å; S185-T188 PolarHBondContact O-OG1 2.97Å; S185-T188 VanDerWaalsContact O-OG1 3.14Å; T188-R192 WeakPolarHBondContact O-CG 3.1Å
189	H	58.9	Low	47.4	Very low	30 Å²	30	72 Å²	72	14%	0.139	39%	0.385	C	S	.	.	H	α-helix	trans	-77.7	-41.1	175.3	178.6	73	0	0	0	112.9	C164 C170 F172 S185 L186 E187 N191 R192 C193	C164-H189 WeakPolarHBondContact CB-NE2 3.11Å; C170-H189 PolarHBondContact SG-CE1 3Å; F172-H189 HydrophobicContact CE1-CB 4.28Å; F172-H189 HydrophobicContact CE2-CB 4.35Å; F172-H189 AromaticContact CE2-CD2 3.43Å; F172-H189 VanDerWaalsContact CE2-CD2 3.43Å; F172-H189 WeakPolarHBondContact CE2-CD2 3.42Å; F172-H189 AromaticContact CE2-CG 3.98Å; F172-H189 HydrophobicContact CZ-CB 3.57Å; F172-H189 AromaticContact CZ-CD2 3.49Å; F172-H189 VanDerWaalsContact CZ-CD2 3.49Å; F172-H189 WeakPolarHBondContact CZ-CD2 3.46Å; F172-H189 AromaticContact CZ-CG 3.52Å; S185-H189 WeakPolarHBondContact O-CB 3.39Å; S185-H189 PolarHBondContact O-N 3.35Å; L186-H189 PolarHBondContact O-N 3.25Å; E187-H189 PolarHBondContact O-N 3.48Å; H189-N191 PolarHBondContact O-N 2.89Å; H189-R192 CarbonylContact O-C 3.03Å; H189-R192 WeakPolarHBondContact O-CA 3.43Å; H189-R192 PolarHBondContact O-N 3.47Å; H189-C193 WeakPolarHBondContact NE2-CB 3.5Å; H189-C193 PolarHBondContact NE2-SG 3.4Å; H189-C193 VanDerWaalsContact NE2-SG 3.36Å; H189-C193 WeakPolarHBondContact O-CB 3.47Å; H189-C193 PolarHBondContact O-N 2.88Å
190	M	55.1	Low	47.2	Very low	52 Å²	52	75.2 Å²	75.2	26%	0.256	40%	0.404	S	S	.	.	H	α-helix	trans	-64.4	-32.4	177.5	-69.8	-94	64.4	0	0	111.6	L186 E187 R192 C193 R238	L186-M190 HydrophobicContact CD1-CG 3.85Å; L186-M190 HydrophobicContact CD1-SD 4.45Å; L186-M190 HydrophobicContact CG-CG 4.28Å; L186-M190 WeakPolarHBondContact O-CB 3.3Å; L186-M190 WeakPolarHBondContact O-CG 3.02Å; L186-M190 PolarHBondContact O-N 3.15Å; E187-M190 PolarHBondContact O-N 2.9Å; M190-R192 PolarHBondContact O-N 3.29Å; M190-R192 VanDerWaalsContact O-N 3.17Å; M190-C193 HydrophobicContact CE-CB 4.15Å; M190-R238 HydrophobicContact SD-CG 4.33Å
191	N	54.6	Low	47	Very low	129 Å²	129	79.7 Å²	79.7	69%	0.69	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-0.7	170.3	-69.2	-37.3	0	0	0	114.4	E187 H189	E187-N191 PolarHBondContact O-N 3.47Å; E187-N191 VanDerWaalsContact O-N 3.07Å; E187-N191 PolarHBondContact O-ND2 3.1Å; E187-N191 VanDerWaalsContact O-ND2 3.08Å; H189-N191 PolarHBondContact O-N 2.89Å
192	R	55.5	Low	47	Very low	161 Å²	161	74.8 Å²	74.8	61%	0.608	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.3	-22.1	-179.6	-66	178.7	175.2	-163.1	-1.3	114.6	T188 H189 M190 S194 D596	T188-R192 WeakPolarHBondContact O-CG 3.1Å; H189-R192 CarbonylContact O-C 3.03Å; H189-R192 WeakPolarHBondContact O-CA 3.43Å; H189-R192 PolarHBondContact O-N 3.47Å; M190-R192 PolarHBondContact O-N 3.29Å; M190-R192 VanDerWaalsContact O-N 3.17Å; R192-S194 PolarHBondContact O-N 2.99Å; R192-S194 VanDerWaalsContact O-N 3.14Å; R192-D596 IonicContact CZ-OD1 3.72Å; R192-D596 IonicContact NH1-OD1 2.75Å; R192-D596 PolarHBondContact NH1-OD1 3.35Å; R192-D596 IonicContact NH2-OD1 3.16Å; R192-D596 PolarHBondContact NH2-OD1 2.92Å
193	C	48.4	Very low	46.9	Very low	10 Å²	10	76.6 Å²	76.6	7%	0.068	41%	0.408	C	S	.	.			trans	-77.2	95.5	-175.4	-166.4	0	0	0	0	110.5	C164 C167 H189 M190 F195	C164-C193 HydrophobicContact CB-CB 4.44Å; C164-C193 WeakPolarHBondContact CB-SG 3.36Å; C164-C193 WeakPolarHBondContact SG-CB 3.38Å; C164-C193 CovalentContact SG-SG 2.08Å; C164-C193 PolarHBondContact SG-SG 3.2Å; C167-C193 PolarHBondContact N-SG 2.75Å; C167-C193 VanDerWaalsContact N-SG 3.37Å; H189-C193 WeakPolarHBondContact NE2-CB 3.5Å; H189-C193 PolarHBondContact NE2-SG 3.4Å; H189-C193 VanDerWaalsContact NE2-SG 3.36Å; H189-C193 WeakPolarHBondContact O-CB 3.47Å; H189-C193 PolarHBondContact O-N 2.88Å; M190-C193 HydrophobicContact CE-CB 4.15Å; C193-F195 PolarHBondContact O-N 3.49Å
194	S	50.4	Low	46.6	Very low	108 Å²	108	83.3 Å²	83.3	76%	0.755	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	0.7	-167.8	-40.9	0	0	0	0	118.2	R192	R192-S194 PolarHBondContact O-N 2.99Å; R192-S194 VanDerWaalsContact O-N 3.14Å
195	F	38.6	Very low	46.7	Very low	161 Å²	161	79.6 Å²	79.6	71%	0.706	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.3	25.9	-163.1	-70.9	-76.5	0	0	0	114	G166 C193 G197	G166-F195 WeakPolarHBondContact CA-O 3.48Å; G166-F195 WeakPolarHBondContact O-CB 3.23Å; G166-F195 WeakPolarHBondContact O-CD2 3.49Å; C193-F195 PolarHBondContact O-N 3.49Å; F195-G197 PolarHBondContact O-N 3.13Å
196	N	40.4	Very low	46.6	Very low	143 Å²	143	78.5 Å²	78.5	77%	0.765	40%	0.396	S	S	*	.			trans	31.8	74.5	158.8	-73.5	-15.2	0	0	0	118.2
197	G	33.2	Very low	46.5	Very low	8 Å²	8	85.9 Å²	85.9	8%	0.082	43%	0.43	C	S	.	.			trans	-169	-177.9	175.6	0	0	0	0	0	114.4	C164 L165 F195 R238	C164-G197 CarbonylContact C-O 3.54Å; C164-G197 VanDerWaalsContact CA-O 3.28Å; C164-G197 WeakPolarHBondContact CA-O 3.4Å; L165-G197 PolarHBondContact N-O 3.28Å; F195-G197 PolarHBondContact O-N 3.13Å; G197-R238 VanDerWaalsContact C-NE 3.29Å
198	G	32.9	Very low	46.4	Very low	8 Å²	8	88.2 Å²	88.2	8%	0.082	44%	0.441	C	S	.	.			trans	174.8	153.1	-178.1	0	0	0	0	0	115.2	T163 R238	T163-G198 WeakPolarHBondContact O-CA 3.49Å; G198-R238 VanDerWaalsContact C-NH2 3.26Å; G198-R238 PolarHBondContact O-NH1 3.04Å; G198-R238 PolarHBondContact O-NH2 3.35Å
199	Q	35.5	Very low	46.1	Very low	110 Å²	110	88.8 Å²	88.8	51%	0.514	45%	0.445	S	S	.	.			trans	-116.2	155.5	177.6	-170.4	176.3	5.1	0	0	110.2	V161 T163 L165	V161-Q199 VanDerWaalsContact O-O 3.12Å; T163-Q199 HydrophobicContact CG2-CB 4.25Å; T163-Q199 PolarHBondContact N-O 3.22Å; T163-Q199 WeakPolarHBondContact OG1-CB 3.32Å; T163-Q199 PolarHBondContact OG1-N 3.23Å; L165-Q199 HydrophobicContact CD2-CB 4.44Å
200	V	37.1	Very low	45.9	Very low	73 Å²	73	87.8 Å²	87.8	44%	0.442	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.2	178.5	-178.3	0	0	0	0	109.7	V161 L202	V161-V200 WeakPolarHBondContact O-CA 3.4Å; V200-L202 HydrophobicContact CG1-CD2 3.93Å
201	H	35.6	Very low	45.9	Very low	124 Å²	124	94 Å²	94	57%	0.574	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	111.1	176.6	-176	106.4	0	0	0	110.8	H159 V161	H159-H201 WeakPolarHBondContact CB-O 3.22Å; V161-H201 HydrophobicContact CB-CB 4.03Å; V161-H201 HydrophobicContact CG2-CB 4.31Å
202	L	37.9	Very low	46.5	Very low	26 Å²	26	89.8 Å²	89.8	14%	0.136	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	143.4	-177.9	-52.1	177.4	0	0	0	111.4	A150 Q156 P158 V200	A150-L202 HydrophobicContact CB-CD1 3.96Å; A150-L202 WeakPolarHBondContact O-CD1 3.44Å; Q156-L202 HydrophobicContact CB-CB 4.3Å; P158-L202 HydrophobicContact CB-CD2 4.32Å; V200-L202 HydrophobicContact CG1-CD2 3.93Å
203	T	43.8	Very low	47.1	Very low	54 Å²	54	88 Å²	88	33%	0.331	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.7	175.3	-61.6	0	0	0	0	109.8	L157 H159	L157-T203 PolarHBondContact N-O 3.23Å; L157-T203 PolarHBondContact O-N 3.4Å; H159-T203 PolarHBondContact ND1-OG1 3.43Å
204	R	46.8	Very low	48.2	Very low	182 Å²	182	92.4 Å²	92.4	69%	0.687	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	131.2	177.8	-170.6	179.4	-172	168.4	0.9	109	S206	R204-S206 PolarHBondContact O-N 3.28Å
205	L	53.5	Low	48.9	Very low	31 Å²	31	90.6 Å²	90.6	16%	0.162	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-65	116.9	163.6	-73.2	164.5	0	0	0	107.9	L157 V219 L220	L157-L205 HydrophobicContact CD1-CD2 3.65Å; L157-L205 HydrophobicContact CD1-CG 4.29Å; L157-L205 HydrophobicContact CG-CD1 4.37Å; L157-L205 HydrophobicContact CG-CD2 3.91Å; L157-L205 HydrophobicContact CG-CG 4.05Å; L205-V219 HydrophobicContact CD2-CG1 4.07Å; L205-L220 HydrophobicContact CD1-CD1 4.4Å; L205-L220 HydrophobicContact CD1-CD2 3.94Å; L205-L220 HydrophobicContact CD1-CG 4.04Å
206	S	50.6	Low	50.1	Low	37 Å²	37	85.4 Å²	85.4	26%	0.259	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-84	166.4	168.7	84.1	0	0	0	0	110.2	R204 E208 T209	R204-S206 PolarHBondContact O-N 3.28Å; S206-E208 VanDerWaalsContact C-N 3.32Å; S206-E208 WeakPolarHBondContact CB-OE2 3.25Å; S206-E208 PolarHBondContact OG-N 2.82Å; S206-E208 PolarHBondContact OG-OE2 2.84Å; S206-T209 PolarHBondContact N-OG1 3.07Å; S206-T209 PolarHBondContact O-N 3.3Å; S206-T209 PolarHBondContact O-OG1 3.06Å; S206-T209 PolarHBondContact OG-N 3.23Å; S206-T209 VanDerWaalsContact OG-N 3.13Å; S206-T209 PolarHBondContact OG-OG1 2.79Å
207	E	53.8	Low	51.4	Low	158 Å²	158	85.8 Å²	85.8	74%	0.738	43%	0.431	S	S	*	.	S	Bend	trans	-71.9	-26.4	172.8	-89.6	165	170.4	0	0	113	T209 K216	E207-T209 VanDerWaalsContact C-N 3.34Å; E207-K216 IonicContact OE1-NZ 2.73Å; E207-K216 PolarHBondContact OE1-NZ 3.26Å
208	E	51.5	Low	53.1	Low	169 Å²	169	90.8 Å²	90.8	79%	0.79	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-34.7	170.2	-48.5	106.7	173.1	0	0	112.1	S206 C210	S206-E208 VanDerWaalsContact C-N 3.32Å; S206-E208 WeakPolarHBondContact CB-OE2 3.25Å; S206-E208 PolarHBondContact OG-N 2.82Å; S206-E208 PolarHBondContact OG-OE2 2.84Å; E208-C210 VanDerWaalsContact C-N 3.26Å; E208-C210 PolarHBondContact O-N 3.45Å
209	T	53.7	Low	54.5	Low	90 Å²	90	92.7 Å²	92.7	55%	0.552	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-8.5	-177.1	55.6	0	0	0	0	115.5	S206 E207	S206-T209 PolarHBondContact N-OG1 3.07Å; S206-T209 PolarHBondContact O-N 3.3Å; S206-T209 PolarHBondContact O-OG1 3.06Å; S206-T209 PolarHBondContact OG-N 3.23Å; S206-T209 VanDerWaalsContact OG-N 3.13Å; S206-T209 PolarHBondContact OG-OG1 2.79Å; E207-T209 VanDerWaalsContact C-N 3.34Å
210	C	56	Low	55.7	Low	10 Å²	10	89.9 Å²	89.9	7%	0.068	45%	0.448	C	S	.	.			trans	-149.2	105.5	177.8	-77	0	0	0	0	110.9	E208 S212 E215 K216	E208-C210 VanDerWaalsContact C-N 3.26Å; E208-C210 PolarHBondContact O-N 3.45Å; C210-S212 PolarHBondContact O-N 3.38Å; C210-S212 VanDerWaalsContact O-N 3.07Å; C210-E215 HydrophobicContact CB-CB 4.3Å; C210-K216 HydrophobicContact CB-CB 4.4Å; C210-K216 HydrophobicContact CB-CD 4.33Å; C210-K216 HydrophobicContact CB-CG 3.33Å
211	M	53.8	Low	57	Low	181 Å²	181	91.5 Å²	91.5	89%	0.892	45%	0.451	S	S	*	.	S	Bend	trans	-63.4	-16	-175.7	-56.9	176.7	71.2	0	0	113.8	E215	M211-E215 WeakPolarHBondContact CB-OE2 3.36Å; M211-E215 PolarHBondContact N-OE2 3.27Å
212	S	68.5	Low	58.2	Low	42 Å²	42	91.4 Å²	91.4	29%	0.294	45%	0.451	S	S	.	.	S	Bend	trans	-143.3	157.8	177.5	66.7	0	0	0	0	113.4	C210 L214 E215 K216	C210-S212 PolarHBondContact O-N 3.38Å; C210-S212 VanDerWaalsContact O-N 3.07Å; S212-L214 PolarHBondContact O-N 3.28Å; S212-E215 WeakPolarHBondContact CB-OE2 3.15Å; S212-E215 PolarHBondContact N-OE2 2.92Å; S212-E215 PolarHBondContact O-N 3.45Å; S212-E215 VanDerWaalsContact O-N 3.15Å; S212-E215 WeakPolarHBondContact OG-CG 3.16Å; S212-E215 PolarHBondContact OG-N 3.31Å; S212-E215 VanDerWaalsContact OG-N 3.11Å; S212-E215 PolarHBondContact OG-OE2 3.25Å; S212-K216 PolarHBondContact O-N 3.34Å; S212-K216 VanDerWaalsContact O-N 3.1Å
213	T	66.1	Low	59	Low	122 Å²	122	91.1 Å²	91.1	75%	0.748	45%	0.451	S	S	*	.	H	α-helix	trans	-60	-31.8	169.6	48.6	0	0	0	0	112.5	K216 Y217	T213-K216 PolarHBondContact O-N 3.41Å; T213-Y217 PolarHBondContact O-N 3.48Å
214	L	72.6	Confident	59.5	Low	103 Å²	103	94.6 Å²	94.6	54%	0.539	46%	0.464	S	S	.	.	H	α-helix	trans	-66.5	-35.8	175.1	-178.2	62.8	0	0	0	112.1	S212 K218	S212-L214 PolarHBondContact O-N 3.28Å; L214-K218 VanDerWaalsContact O-CG 3.29Å; L214-K218 WeakPolarHBondContact O-CG 3.32Å; L214-K218 PolarHBondContact O-N 3.12Å
215	E	65.8	Low	60.2	Low	71 Å²	71	91.3 Å²	91.3	33%	0.332	46%	0.459	S	S	.	.	H	α-helix	trans	-72.6	-41.6	174.2	-74.5	153	153.1	0	0	111.9	C210 M211 S212 Y217 K218 V219	C210-E215 HydrophobicContact CB-CB 4.3Å; M211-E215 WeakPolarHBondContact CB-OE2 3.36Å; M211-E215 PolarHBondContact N-OE2 3.27Å; S212-E215 WeakPolarHBondContact CB-OE2 3.15Å; S212-E215 PolarHBondContact N-OE2 2.92Å; S212-E215 PolarHBondContact O-N 3.45Å; S212-E215 VanDerWaalsContact O-N 3.15Å; S212-E215 WeakPolarHBondContact OG-CG 3.16Å; S212-E215 PolarHBondContact OG-N 3.31Å; S212-E215 VanDerWaalsContact OG-N 3.11Å; S212-E215 PolarHBondContact OG-OE2 3.25Å; E215-Y217 PolarHBondContact O-N 3.31Å; E215-K218 PolarHBondContact O-N 3.5Å; E215-V219 VanDerWaalsContact O-CB 3.32Å; E215-V219 WeakPolarHBondContact O-CB 3.37Å; E215-V219 VanDerWaalsContact O-CG2 3.29Å; E215-V219 WeakPolarHBondContact O-CG2 3.27Å; E215-V219 PolarHBondContact O-N 3.3Å
216	K	63.6	Low	60.3	Low	52 Å²	52	91.6 Å²	91.6	23%	0.226	46%	0.46	C	S	.	.	H	α-helix	trans	-52.4	-45.6	170.6	-65.3	-178.9	-177.4	176.4	0	110.7	E207 C210 S212 T213 L220	E207-K216 IonicContact OE1-NZ 2.73Å; E207-K216 PolarHBondContact OE1-NZ 3.26Å; C210-K216 HydrophobicContact CB-CB 4.4Å; C210-K216 HydrophobicContact CB-CD 4.33Å; C210-K216 HydrophobicContact CB-CG 3.33Å; S212-K216 PolarHBondContact O-N 3.34Å; S212-K216 VanDerWaalsContact O-N 3.1Å; T213-K216 PolarHBondContact O-N 3.41Å; K216-L220 VanDerWaalsContact O-CG 3.29Å; K216-L220 WeakPolarHBondContact O-CG 3.42Å; K216-L220 PolarHBondContact O-N 3.08Å; K216-L220 VanDerWaalsContact O-N 3.09Å
217	Y	66.8	Low	60.2	Low	151 Å²	151	91 Å²	91	59%	0.592	46%	0.456	S	S	*	.	H	α-helix	trans	-64.1	-48.6	176.3	-176	-88.5	0	0	0	113.3	T213 E215 V219 L220 Q221	T213-Y217 PolarHBondContact O-N 3.48Å; E215-Y217 PolarHBondContact O-N 3.31Å; Y217-V219 PolarHBondContact O-N 2.87Å; Y217-L220 PolarHBondContact O-N 2.87Å; Y217-Q221 WeakPolarHBondContact O-CB 3.32Å; Y217-Q221 PolarHBondContact O-N 3.16Å
218	K	69.4	Low	60.2	Low	112 Å²	112	86.1 Å²	86.1	49%	0.487	44%	0.437	S	S	.	.	H	α-helix	trans	-57.7	-46.3	177.2	-75.4	167.8	178.9	173.1	0	112.1	L214 E215 Q221 E222	L214-K218 VanDerWaalsContact O-CG 3.29Å; L214-K218 WeakPolarHBondContact O-CG 3.32Å; L214-K218 PolarHBondContact O-N 3.12Å; E215-K218 PolarHBondContact O-N 3.5Å; K218-Q221 PolarHBondContact O-N 2.74Å; K218-E222 WeakPolarHBondContact O-CB 3.39Å; K218-E222 PolarHBondContact O-N 2.96Å
219	V	62.5	Low	60.5	Low	48 Å²	48	80.5 Å²	80.5	29%	0.291	41%	0.414	S	S	.	.	H	α-helix	trans	-65.9	-38.4	-177.6	166.5	0	0	0	0	111.2	L157 L205 E215 Y217 S223	L157-V219 HydrophobicContact CD1-CG1 3.76Å; L157-V219 HydrophobicContact CD2-CG1 3.9Å; L157-V219 HydrophobicContact CG-CG1 4.17Å; L205-V219 HydrophobicContact CD2-CG1 4.07Å; E215-V219 VanDerWaalsContact O-CB 3.32Å; E215-V219 WeakPolarHBondContact O-CB 3.37Å; E215-V219 VanDerWaalsContact O-CG2 3.29Å; E215-V219 WeakPolarHBondContact O-CG2 3.27Å; E215-V219 PolarHBondContact O-N 3.3Å; Y217-V219 PolarHBondContact O-N 2.87Å; V219-S223 WeakPolarHBondContact O-CB 3.39Å; V219-S223 PolarHBondContact O-N 3.18Å; V219-S223 VanDerWaalsContact O-N 3.1Å
220	L	61.1	Low	60.3	Low	51 Å²	51	77 Å²	77	27%	0.267	39%	0.392	S	S	.	.	H	α-helix	trans	-65.2	-48.3	171.3	-71.7	171	0	0	0	111.7	E154 L157 L205 K216 Y217 E222 S223 E224	E154-L220 VanDerWaalsContact O-CD2 3.32Å; E154-L220 WeakPolarHBondContact O-CD2 3.45Å; L157-L220 HydrophobicContact CD2-CD2 4.48Å; L205-L220 HydrophobicContact CD1-CD1 4.4Å; L205-L220 HydrophobicContact CD1-CD2 3.94Å; L205-L220 HydrophobicContact CD1-CG 4.04Å; K216-L220 VanDerWaalsContact O-CG 3.29Å; K216-L220 WeakPolarHBondContact O-CG 3.42Å; K216-L220 PolarHBondContact O-N 3.08Å; K216-L220 VanDerWaalsContact O-N 3.09Å; Y217-L220 PolarHBondContact O-N 2.87Å; L220-E222 VanDerWaalsContact C-N 3.33Å; L220-E222 PolarHBondContact O-N 2.78Å; L220-S223 WeakPolarHBondContact O-CB 3.44Å; L220-S223 PolarHBondContact O-N 3.23Å; L220-S223 VanDerWaalsContact O-N 3.07Å; L220-S223 PolarHBondContact O-OG 3.36Å; L220-E224 PolarHBondContact O-N 2.96Å
221	Q	64	Low	60	Low	107 Å²	107	78 Å²	78	50%	0.5	40%	0.4	S	S	.	.	H	α-helix	trans	-61.3	-38.8	179.4	-169.9	177.4	27.2	0	0	112.6	Y217 K218 E224 L225	Y217-Q221 WeakPolarHBondContact O-CB 3.32Å; Y217-Q221 PolarHBondContact O-N 3.16Å; K218-Q221 PolarHBondContact O-N 2.74Å; Q221-E224 PolarHBondContact O-N 3.4Å; Q221-L225 PolarHBondContact O-N 2.83Å; Q221-L225 VanDerWaalsContact O-N 3.09Å
222	E	61.5	Low	60	Low	122 Å²	122	79 Å²	79	57%	0.57	39%	0.394	S	S	*	.	H	α-helix	trans	-64.9	-40.7	173.2	-174.5	171.5	-165.2	0	0	111.3	K218 L220 E224 L225 I226	K218-E222 WeakPolarHBondContact O-CB 3.39Å; K218-E222 PolarHBondContact O-N 2.96Å; L220-E222 VanDerWaalsContact C-N 3.33Å; L220-E222 PolarHBondContact O-N 2.78Å; E222-E224 VanDerWaalsContact C-N 3.31Å; E222-E224 PolarHBondContact O-N 3.02Å; E222-L225 PolarHBondContact O-N 3.48Å; E222-I226 HydrophobicContact CG-CD1 3.91Å; E222-I226 HydrophobicContact CG-CG1 4.48Å; E222-I226 WeakPolarHBondContact O-CB 3.26Å; E222-I226 VanDerWaalsContact O-CG1 3.27Å; E222-I226 WeakPolarHBondContact O-CG1 3.31Å; E222-I226 PolarHBondContact O-N 3.35Å
223	S	53.2	Low	59.1	Low	21 Å²	21	80 Å²	80	15%	0.147	40%	0.401	C	S	.	.	H	α-helix	trans	-64.9	-31.6	177.2	84.4	0	0	0	0	113.6	V219 L220 S227	V219-S223 WeakPolarHBondContact O-CB 3.39Å; V219-S223 PolarHBondContact O-N 3.18Å; V219-S223 VanDerWaalsContact O-N 3.1Å; L220-S223 WeakPolarHBondContact O-CB 3.44Å; L220-S223 PolarHBondContact O-N 3.23Å; L220-S223 VanDerWaalsContact O-N 3.07Å; L220-S223 PolarHBondContact O-OG 3.36Å; S223-S227 VanDerWaalsContact O-CB 3.24Å; S223-S227 WeakPolarHBondContact O-CB 3.24Å; S223-S227 PolarHBondContact O-N 2.84Å; S223-S227 PolarHBondContact O-OG 2.82Å
224	E	55.5	Low	57.8	Low	127 Å²	127	76.8 Å²	76.8	59%	0.593	38%	0.377	S	S	*	.	H	α-helix	trans	-71.4	-46.8	173.9	-170.7	-169.8	-176.9	0	0	111.3	L220 Q221 E222 I226 S227 T228	L220-E224 PolarHBondContact O-N 2.96Å; Q221-E224 PolarHBondContact O-N 3.4Å; E222-E224 VanDerWaalsContact C-N 3.31Å; E222-E224 PolarHBondContact O-N 3.02Å; E224-I226 VanDerWaalsContact C-N 3.34Å; E224-I226 PolarHBondContact O-N 2.86Å; E224-S227 PolarHBondContact O-N 3.35Å; E224-S227 VanDerWaalsContact O-N 3.09Å; E224-T228 WeakPolarHBondContact O-CG2 3.33Å; E224-T228 PolarHBondContact O-N 3.24Å; E224-T228 PolarHBondContact O-OG1 3.4Å
225	L	61.5	Low	56.4	Low	113 Å²	113	73.8 Å²	73.8	59%	0.592	36%	0.364	S	S	*	.	H	α-helix	trans	-60.2	-42.9	175.9	179.6	62.6	0	0	0	111.7	Q221 E222 T228 T229	Q221-L225 PolarHBondContact O-N 2.83Å; Q221-L225 VanDerWaalsContact O-N 3.09Å; E222-L225 PolarHBondContact O-N 3.48Å; L225-T228 PolarHBondContact O-OG1 2.9Å; L225-T228 VanDerWaalsContact O-OG1 3.09Å; L225-T229 VanDerWaalsContact O-CB 3.3Å; L225-T229 WeakPolarHBondContact O-CB 3.4Å; L225-T229 PolarHBondContact O-N 3.27Å; L225-T229 PolarHBondContact O-OG1 3.17Å
226	I	54.3	Low	55.2	Low	37 Å²	37	77.3 Å²	77.3	19%	0.19	38%	0.38	C	S	.	.	H	α-helix	trans	-60.2	-45.8	171.9	-77	171	0	0	0	110.7	A179 E222 E224 T229 F230	A179-I226 HydrophobicContact CB-CG2 3.45Å; A179-I226 VanDerWaalsContact CB-CG2 3.45Å; E222-I226 HydrophobicContact CG-CD1 3.91Å; E222-I226 HydrophobicContact CG-CG1 4.48Å; E222-I226 WeakPolarHBondContact O-CB 3.26Å; E222-I226 VanDerWaalsContact O-CG1 3.27Å; E222-I226 WeakPolarHBondContact O-CG1 3.31Å; E222-I226 PolarHBondContact O-N 3.35Å; E224-I226 VanDerWaalsContact C-N 3.34Å; E224-I226 PolarHBondContact O-N 2.86Å; I226-T229 PolarHBondContact O-N 3.22Å; I226-F230 PolarHBondContact O-N 3.38Å
227	S	49	Very low	54.2	Low	24 Å²	24	76.7 Å²	76.7	17%	0.168	38%	0.381	C	S	.	.	H	α-helix	trans	-67.2	-43.4	-175.1	-69.2	0	0	0	0	112.8	R160 S223 E224 T229 F230 A231	R160-S227 PolarHBondContact NE-OG 3.07Å; R160-S227 VanDerWaalsContact NH2-CA 3.35Å; R160-S227 PolarHBondContact NH2-O 3.09Å; S223-S227 VanDerWaalsContact O-CB 3.24Å; S223-S227 WeakPolarHBondContact O-CB 3.24Å; S223-S227 PolarHBondContact O-N 2.84Å; S223-S227 PolarHBondContact O-OG 2.82Å; E224-S227 PolarHBondContact O-N 3.35Å; E224-S227 VanDerWaalsContact O-N 3.09Å; S227-T229 VanDerWaalsContact C-N 3.34Å; S227-F230 PolarHBondContact O-N 3.27Å; S227-A231 PolarHBondContact O-N 3.37Å; S227-A231 VanDerWaalsContact O-N 3.1Å
228	T	54.7	Low	52.7	Low	56 Å²	56	72.2 Å²	72.2	34%	0.344	36%	0.363	S	S	.	.	H	α-helix	trans	-68.1	-31.6	174.6	54.2	0	0	0	0	112.6	E224 L225 R232	E224-T228 WeakPolarHBondContact O-CG2 3.33Å; E224-T228 PolarHBondContact O-N 3.24Å; E224-T228 PolarHBondContact O-OG1 3.4Å; L225-T228 PolarHBondContact O-OG1 2.9Å; L225-T228 VanDerWaalsContact O-OG1 3.09Å; T228-R232 WeakPolarHBondContact O-CG 3.32Å; T228-R232 PolarHBondContact O-N 2.64Å
229	T	57.5	Low	51	Low	51 Å²	51	67.5 Å²	67.5	31%	0.313	35%	0.345	S	S	.	.	H	α-helix	trans	-67.4	-48.7	173.8	-60.1	0	0	0	0	111.3	A180 L225 I226 S227 A231 R232 S233	A180-T229 HydrophobicContact CB-CG2 3.95Å; L225-T229 VanDerWaalsContact O-CB 3.3Å; L225-T229 WeakPolarHBondContact O-CB 3.4Å; L225-T229 PolarHBondContact O-N 3.27Å; L225-T229 PolarHBondContact O-OG1 3.17Å; I226-T229 PolarHBondContact O-N 3.22Å; S227-T229 VanDerWaalsContact C-N 3.34Å; T229-A231 VanDerWaalsContact C-N 3.31Å; T229-A231 PolarHBondContact O-N 2.91Å; T229-R232 PolarHBondContact O-N 3.41Å; T229-S233 PolarHBondContact O-N 2.76Å; T229-S233 VanDerWaalsContact O-N 3.11Å; T229-S233 PolarHBondContact O-OG 2.75Å
230	F	48.6	Very low	49.3	Very low	16 Å²	16	69.4 Å²	69.4	7%	0.07	35%	0.35	C	S	.	.	H	α-helix	trans	-58.1	-41.7	175.8	179.8	-88.7	0	0	0	112.8	L174 A179 P182 I226 S227 R232 S233 F234 V237	L174-F230 HydrophobicContact CD1-CE2 4.3Å; L174-F230 HydrophobicContact CD1-CZ 4.39Å; L174-F230 HydrophobicContact CD2-CE2 3.99Å; A179-F230 WeakPolarHBondContact O-CB 3.33Å; A179-F230 WeakPolarHBondContact O-CD2 3.48Å; P182-F230 HydrophobicContact CB-CE2 4.5Å; I226-F230 PolarHBondContact O-N 3.38Å; S227-F230 PolarHBondContact O-N 3.27Å; F230-R232 PolarHBondContact O-N 3.14Å; F230-S233 PolarHBondContact O-N 2.88Å; F230-S233 VanDerWaalsContact O-N 3.08Å; F230-F234 HydrophobicContact CD2-CD2 4.46Å; F230-F234 HydrophobicContact CE1-CB 4.4Å; F230-F234 HydrophobicContact CE2-CB 4.4Å; F230-F234 HydrophobicContact CZ-CB 4.27Å; F230-F234 PolarHBondContact O-N 2.76Å; F230-V237 HydrophobicContact CE1-CB 4.18Å; F230-V237 HydrophobicContact CE1-CG1 4.27Å; F230-V237 HydrophobicContact CZ-CB 3.93Å; F230-V237 HydrophobicContact CZ-CG1 3.77Å; F230-V237 HydrophobicContact CZ-CG2 4.46Å
231	A	49.3	Very low	47.7	Very low	31 Å²	31	71.1 Å²	71.1	26%	0.256	36%	0.362	S	S	.	.	H	α-helix	trans	-55.7	-37	179.2	0	0	0	0	0	112.3	L119 S227 T229	L119-A231 HydrophobicContact CD1-CB 3.64Å; S227-A231 PolarHBondContact O-N 3.37Å; S227-A231 VanDerWaalsContact O-N 3.1Å; T229-A231 VanDerWaalsContact C-N 3.31Å; T229-A231 PolarHBondContact O-N 2.91Å
232	R	55.1	Low	46	Very low	201 Å²	201	68.4 Å²	68.4	76%	0.758	36%	0.363	S	S	*	.	H	α-helix	trans	-77	-36.2	176.8	-65.5	168	177	162	0.8	112.7	T228 T229 F230	T228-R232 WeakPolarHBondContact O-CG 3.32Å; T228-R232 PolarHBondContact O-N 2.64Å; T229-R232 PolarHBondContact O-N 3.41Å; F230-R232 PolarHBondContact O-N 3.14Å
233	S	48.5	Very low	44.4	Very low	63 Å²	63	70 Å²	70	44%	0.441	38%	0.376	S	S	.	.	H	α-helix	trans	-81.6	-32.4	-177.1	-61.9	0	0	0	0	113.9	T229 F230 P235	T229-S233 PolarHBondContact O-N 2.76Å; T229-S233 VanDerWaalsContact O-N 3.11Å; T229-S233 PolarHBondContact O-OG 2.75Å; F230-S233 PolarHBondContact O-N 2.88Å; F230-S233 VanDerWaalsContact O-N 3.08Å; S233-P235 VanDerWaalsContact C-CD 3.48Å
234	F	40	Very low	43.3	Very low	56 Å²	56	75.1 Å²	75.1	25%	0.246	41%	0.411	C	S	.	.			trans	-134.9	60	-173.3	-66.4	-82.5	0	0	0	113.2	A180 Q181 P182 F230 H236 V237	A180-F234 VanDerWaalsContact O-CD2 3.3Å; A180-F234 WeakPolarHBondContact O-CD2 3.2Å; A180-F234 WeakPolarHBondContact O-CE2 3.48Å; Q181-F234 HydrophobicContact CB-CE2 3.89Å; Q181-F234 HydrophobicContact CB-CZ 4.22Å; Q181-F234 HydrophobicContact CG-CE2 3.78Å; Q181-F234 HydrophobicContact CG-CZ 4.18Å; P182-F234 VanDerWaalsContact CD-CE2 3.46Å; P182-F234 HydrophobicContact CG-CD1 3.47Å; P182-F234 VanDerWaalsContact CG-CD1 3.47Å; P182-F234 HydrophobicContact CG-CD2 4.3Å; P182-F234 HydrophobicContact CG-CE1 3.69Å; P182-F234 HydrophobicContact CG-CG 3.81Å; P182-F234 HydrophobicContact CG-CZ 4.23Å; F230-F234 HydrophobicContact CD2-CD2 4.46Å; F230-F234 HydrophobicContact CE1-CB 4.4Å; F230-F234 HydrophobicContact CE2-CB 4.4Å; F230-F234 HydrophobicContact CZ-CB 4.27Å; F230-F234 PolarHBondContact O-N 2.76Å; F234-H236 VanDerWaalsContact C-N 3.27Å; F234-H236 PolarHBondContact O-N 2.7Å; F234-V237 HydrophobicContact CB-CB 4.29Å; F234-V237 HydrophobicContact CB-CG2 3.82Å; F234-V237 HydrophobicContact CD1-CG2 4.49Å; F234-V237 PolarHBondContact O-N 3.13Å; F234-V237 VanDerWaalsContact O-N 3.09Å
235	P	42.9	Very low	41.9	Very low	40 Å²	40	72.8 Å²	72.8	26%	0.26	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48	-46.9	180	14.9	-29.7	0	0	0	113.3	S233 V237 F240	S233-P235 VanDerWaalsContact C-CD 3.48Å; P235-V237 PolarHBondContact O-N 2.83Å; P235-F240 VanDerWaalsContact C-CB 3.44Å; P235-F240 HydrophobicContact CB-CB 3.44Å; P235-F240 VanDerWaalsContact CB-CB 3.44Å; P235-F240 HydrophobicContact CB-CD1 3.5Å; P235-F240 HydrophobicContact CB-CD2 4.4Å; P235-F240 HydrophobicContact CB-CE1 4.29Å; P235-F240 HydrophobicContact CB-CG 3.56Å; P235-F240 WeakPolarHBondContact O-CB 3.46Å; P235-F240 PolarHBondContact O-N 2.93Å
236	H	40.9	Very low	40.3	Very low	145 Å²	145	76.3 Å²	76.3	67%	0.671	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-1.8	-173	-54.9	-45.9	0	0	0	114.6	F234 R238 F240	F234-H236 VanDerWaalsContact C-N 3.27Å; F234-H236 PolarHBondContact O-N 2.7Å; H236-R238 PolarHBondContact O-N 2.84Å; H236-F240 PolarHBondContact ND1-O 3.45Å
237	V	41.4	Very low	39	Very low	39 Å²	39	80.3 Å²	80.3	24%	0.236	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	78.9	173.4	-178.7	0	0	0	0	109.6	P182 L186 F230 F234 P235	P182-V237 HydrophobicContact CB-CG2 4.2Å; P182-V237 HydrophobicContact CG-CG2 4.12Å; L186-V237 HydrophobicContact CD2-CG1 3.62Å; F230-V237 HydrophobicContact CE1-CB 4.18Å; F230-V237 HydrophobicContact CE1-CG1 4.27Å; F230-V237 HydrophobicContact CZ-CB 3.93Å; F230-V237 HydrophobicContact CZ-CG1 3.77Å; F230-V237 HydrophobicContact CZ-CG2 4.46Å; F234-V237 HydrophobicContact CB-CB 4.29Å; F234-V237 HydrophobicContact CB-CG2 3.82Å; F234-V237 HydrophobicContact CD1-CG2 4.49Å; F234-V237 PolarHBondContact O-N 3.13Å; F234-V237 VanDerWaalsContact O-N 3.09Å; P235-V237 PolarHBondContact O-N 2.83Å
238	R	36.5	Very low	37.9	Very low	57 Å²	57	87.1 Å²	87.1	22%	0.215	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	53.5	177.4	-67.8	-162.4	62.3	-118	-170.3	116	M190 G197 G198 H236	M190-R238 HydrophobicContact SD-CG 4.33Å; G197-R238 VanDerWaalsContact C-NE 3.29Å; G198-R238 VanDerWaalsContact C-NH2 3.26Å; G198-R238 PolarHBondContact O-NH1 3.04Å; G198-R238 PolarHBondContact O-NH2 3.35Å; H236-R238 PolarHBondContact O-N 2.84Å
239	G	32.5	Very low	36.6	Very low	12 Å²	12	88 Å²	88	12%	0.124	51%	0.514	C	S	.	.	T	Hydrogen-bonded Turn	trans	167.8	-2.8	142.6	0	0	0	0	0	120.7	Y117 C118 H138	Y117-G239 VanDerWaalsContact C-CA 3.46Å; Y117-G239 VanDerWaalsContact O-CA 3.32Å; Y117-G239 WeakPolarHBondContact O-CA 3.16Å; C118-G239 WeakPolarHBondContact CB-O 3.38Å; H138-G239 PolarHBondContact CE1-O 2.88Å; H138-G239 PolarHBondContact ND1-O 3.35Å
240	F	27.4	Very low	35.2	Very low	89 Å²	89	91.6 Å²	91.6	39%	0.39	54%	0.538	S	S	.	.			trans	-94.4	118.1	173.9	-162.9	-87.1	0	0	0	111.3	C118 P235 H236	C118-F240 HydrophobicContact CB-CD2 4.36Å; P235-F240 VanDerWaalsContact C-CB 3.44Å; P235-F240 HydrophobicContact CB-CB 3.44Å; P235-F240 VanDerWaalsContact CB-CB 3.44Å; P235-F240 HydrophobicContact CB-CD1 3.5Å; P235-F240 HydrophobicContact CB-CD2 4.4Å; P235-F240 HydrophobicContact CB-CE1 4.29Å; P235-F240 HydrophobicContact CB-CG 3.56Å; P235-F240 WeakPolarHBondContact O-CB 3.46Å; P235-F240 PolarHBondContact O-N 2.93Å; H236-F240 PolarHBondContact ND1-O 3.45Å
241	T	26.9	Very low	34.1	Very low	86 Å²	86	99.8 Å²	99.8	53%	0.528	57%	0.574	S	S	.	*			trans	-148	117.4	172.4	47.8	0	0	0	0	110
242	G	29.1	Very low	33.1	Very low	50 Å²	50	109 Å²	109	52%	0.515	60%	0.602	S	S	.	*			trans	83.6	147.8	179.2	0	0	0	0	0	114.2
243	N	28.9	Very low	31.5	Very low	157 Å²	157	109.3 Å²	109.3	84%	0.84	61%	0.609	S	S	*	*			cis	-145.4	145.6	13.2	-78.4	-20.8	0	0	0	112.7
244	S	28.8	Very low	30.5	Very low	127 Å²	127	115.3 Å²	115.3	89%	0.888	63%	0.63	S	S	*	*			trans	177.3	153.7	133.4	38.5	0	0	0	0	111.1
245	G	27.3	Very low	29.9	Very low	78 Å²	78	123.6 Å²	123.6	80%	0.804	66%	0.66	S	S	*	*			trans	89.8	101.9	161.8	0	0	0	0	0	117
246	L	26.1	Very low	29	Very low	188 Å²	188	133.1 Å²	133.1	98%	0.984	69%	0.692	S	S	*	*			trans	-64.1	125.5	159.1	-67.8	145.3	0	0	0	110.3
247	S	27.6	Very low	28.4	Very low	120 Å²	120	131.9 Å²	131.9	84%	0.839	70%	0.7	S	S	*	*			trans	-166.8	149.6	149.2	-164.4	0	0	0	0	111.9
248	N	25.4	Very low	27.8	Very low	168 Å²	168	133.4 Å²	133.4	90%	0.898	72%	0.724	S	S	*	*			trans	-90.1	117	179.5	-67.4	-38.3	0	0	0	111.5
249	S	28	Very low	27.3	Very low	74 Å²	74	138.3 Å²	138.3	52%	0.517	75%	0.754	S	S	.	*			trans	-165.4	133.7	149.1	-170	0	0	0	0	112.7	F251	S249-F251 WeakPolarHBondContact OG-CD2 3.3Å; S249-F251 WeakPolarHBondContact OG-CE2 3.44Å
250	P	27.8	Very low	27.3	Very low	126 Å²	126	144.8 Å²	144.8	82%	0.818	79%	0.791	S	S	*	*			trans	-87.8	106.4	170	33.6	-29.9	0	0	0	111.2
251	F	26.6	Very low	27.4	Very low	188 Å²	188	144.8 Å²	144.8	83%	0.825	81%	0.808	S	S	*	*			trans	-107	138.5	173.6	-80.5	-63.6	0	0	0	113.7	S249	S249-F251 WeakPolarHBondContact OG-CD2 3.3Å; S249-F251 WeakPolarHBondContact OG-CE2 3.44Å
252	R	26.7	Very low	27.8	Very low	226 Å²	226	145.5 Å²	145.5	85%	0.853	82%	0.817	S	S	*	*			trans	-90.5	153.7	-166.8	-68.7	176.5	172.9	167	-2.9	112.8	H254	R252-H254 PolarHBondContact O-N 2.81Å
253	F	22.9	Very low	27.8	Very low	206 Å²	206	154.6 Å²	154.6	90%	0.904	84%	0.835	S	S	*	*			trans	-50.6	121.4	156.4	-60.4	-92.7	0	0	0	111.1	R255	F253-R255 PolarHBondContact O-N 3.48Å
254	H	26.8	Very low	28	Very low	189 Å²	189	150.7 Å²	150.7	88%	0.875	82%	0.824	S	S	*	*			trans	-86.9	103.8	162.7	-98.5	-88	0	0	0	109.7	R252	R252-H254 PolarHBondContact O-N 2.81Å
255	R	27.3	Very low	28.3	Very low	231 Å²	231	150.3 Å²	150.3	87%	0.872	82%	0.817	S	S	*	*			trans	-69.8	143	165.5	-66.9	-176.4	-179.5	-179.5	0	109.4	F253 S257	F253-R255 PolarHBondContact O-N 3.48Å; R255-S257 PolarHBondContact O-N 3.02Å
256	Y	25.1	Very low	28.6	Very low	240 Å²	240	153 Å²	153	94%	0.941	81%	0.813	S	S	*	*			trans	-65.2	116.3	157.8	-89	-98	0	0	0	109.5
257	S	28	Very low	28.9	Very low	118 Å²	118	150.9 Å²	150.9	83%	0.825	80%	0.803	S	S	*	*			trans	-167.8	144.1	156.6	-166.5	0	0	0	0	111.9	R255	R255-S257 PolarHBondContact O-N 3.02Å
258	G	27.4	Very low	29.2	Very low	72 Å²	72	152.6 Å²	152.6	74%	0.742	80%	0.803	S	S	*	*			trans	74.8	105.6	148.6	0	0	0	0	0	118.5
259	N	26.7	Very low	29.6	Very low	159 Å²	159	147.4 Å²	147.4	85%	0.85	79%	0.789	S	S	*	*			trans	-58.2	142.7	160.9	-60.8	-30.6	0	0	0	111.6
260	T	33.4	Very low	29.9	Very low	148 Å²	148	151.8 Å²	151.8	91%	0.908	81%	0.806	S	S	*	*				-172.7	159.6	112.9	20.6	0	0	0	0	112
261	A	29.3	Very low	30.1	Very low	89 Å²	89	150.3 Å²	150.3	74%	0.736	81%	0.805	S	S	*	*			trans	-81.1	156.4	-178.2	0	0	0	0	0	111.2
262	S	33.8	Very low	30.7	Very low	102 Å²	102	146.5 Å²	146.5	71%	0.713	80%	0.799	S	S	*	*				-174.4	161.3	64.1	-59.8	0	0	0	0	113.1
263	R	31	Very low	30.9	Very low	241 Å²	241	142.7 Å²	142.7	91%	0.909	80%	0.796	S	S	*	*			trans	36.7	139.1	136.2	-70.4	-179.6	178.9	172.9	-2	120.2
264	A	32.3	Very low	31.2	Very low	74 Å²	74	137.9 Å²	137.9	61%	0.612	78%	0.783	S	S	*	*			cis	-171.2	173.7	-1.1	0	0	0	0	0	111.4
265	T	35.9	Very low	31.3	Very low	119 Å²	119	136.8 Å²	136.8	73%	0.73	78%	0.782	S	S	*	*			trans	62.5	143.6	150	57.5	0	0	0	0	120.3
266	D	32.1	Very low	31.3	Very low	136 Å²	136	130.1 Å²	130.1	73%	0.727	77%	0.771	S	S	*	*			cis	-170	178.3	-21.1	-104.1	-12.7	0	0	0	108.4
267	N	33.5	Very low	31.5	Very low	142 Å²	142	125.2 Å²	125.2	76%	0.759	76%	0.761	S	S	*	*			trans	67.8	148.4	171	-58	-5.3	0	0	0	115.6
268	D	34.3	Very low	31.6	Very low	157 Å²	157	128.2 Å²	128.2	84%	0.84	76%	0.759	S	S	*	*			cis	168.8	145.4	-26	-106.3	-27.5	0	0	0	103.7
269	G	33.6	Very low	31.6	Very low	59 Å²	59	131.4 Å²	131.4	61%	0.608	76%	0.758	S	S	*	*			cis	-178.5	-153.7	0	0	0	0	0	0	111.2
270	N	33.8	Very low	31.8	Very low	166 Å²	166	128.8 Å²	128.8	89%	0.888	75%	0.752	S	S	*	*			trans	65.4	63	169.4	-64.7	-16.4	0	0	0	118.4
271	A	30.9	Very low	31.8	Very low	95 Å²	95	132.6 Å²	132.6	79%	0.785	75%	0.749	S	S	*	*				48.7	148.1	103.9	0	0	0	0	0	122
272	P	39.1	Very low	31.9	Very low	108 Å²	108	136 Å²	136	70%	0.701	75%	0.754	S	S	*	*			trans	-109.1	-176.3	-173.5	43.5	-36.5	0	0	0	114.2
273	N	32.7	Very low	31.8	Very low	146 Å²	146	135.9 Å²	135.9	78%	0.781	75%	0.753	S	S	*	*			trans	-161.1	114.1	135.8	-106.9	-42.6	0	0	0	116.6
274	T	27.9	Very low	32	Very low	105 Å²	105	129.6 Å²	129.6	64%	0.644	74%	0.742	S	S	*	*				23.7	129.4	114.5	-21.7	0	0	0	0	120.5
275	I	30.2	Very low	32.2	Very low	166 Å²	166	132.4 Å²	132.4	85%	0.851	75%	0.747	S	S	*	*				176.8	155.6	116.3	-89.8	160.8	0	0	0	112.5
276	S	26.5	Very low	32.3	Very low	90 Å²	90	133.7 Å²	133.7	63%	0.629	74%	0.744	S	S	*	*			trans	-96.1	173.5	-159.9	-39.6	0	0	0	0	117.4
277	N	28.9	Very low	32.5	Very low	137 Å²	137	133.3 Å²	133.3	73%	0.733	74%	0.742	S	S	*	*			trans	89.8	112.7	142.5	-69.9	-34.6	0	0	0	123.2
278	K	30.8	Very low	32.4	Very low	182 Å²	182	133 Å²	133	79%	0.791	74%	0.741	S	S	*	*				76.2	151.4	125.4	-73.5	-173.3	172.7	-176.7	0	122.8
279	I	27.5	Very low	32.4	Very low	139 Å²	139	131 Å²	131	71%	0.713	73%	0.73	S	S	*	*			trans	73.6	114.6	161.7	-64.1	145.6	0	0	0	114.3
280	S	31.4	Very low	32.4	Very low	104 Å²	104	135.6 Å²	135.6	73%	0.727	73%	0.733	S	S	*	*			cis	90.8	117	42.9	-59.7	0	0	0	0	115.2
281	R	32.4	Very low	32.4	Very low	227 Å²	227	135 Å²	135	86%	0.857	73%	0.729	S	S	*	*			trans	176.1	141.4	157.6	-89.4	142.5	-155.7	-147.8	6	107.4
282	L	30.8	Very low	32.3	Very low	161 Å²	161	135.2 Å²	135.2	84%	0.843	73%	0.725	S	S	*	*			cis	74.5	125.8	34.4	-64.3	170.2	0	0	0	113.4
283	S	31.9	Very low	32	Very low	99 Å²	99	137.8 Å²	137.8	69%	0.692	73%	0.731	S	S	*	*			cis	-137.4	-143.8	1.4	-69.5	0	0	0	0	110.5
284	T	34.9	Very low	31.7	Very low	110 Å²	110	139.7 Å²	139.7	68%	0.675	73%	0.732	S	S	*	*			cis	-164.7	152.1	13.8	10	0	0	0	0	110.9
285	D	36.8	Very low	31.9	Very low	133 Å²	133	141.9 Å²	141.9	71%	0.711	74%	0.735	S	S	*	*			trans	60.5	149.6	144.4	-52.9	-13.3	0	0	0	121.7
286	H	38.1	Very low	31.9	Very low	145 Å²	145	142.6 Å²	142.6	67%	0.671	73%	0.732	S	S	*	*			cis	-159.3	149.3	0.5	-127.8	-48.8	0	0	0	112
287	N	35.6	Very low	32	Very low	128 Å²	128	144 Å²	144	68%	0.684	74%	0.742	S	S	*	*			trans	66.1	148.8	147.7	-66.2	-16.4	0	0	0	122.3
288	N	31.8	Very low	32.1	Very low	136 Å²	136	145.4 Å²	145.4	73%	0.727	74%	0.742	S	S	*	*			cis	-166.7	176.7	-27.2	-149	-7.9	0	0	0	111.7
289	D	34.3	Very low	31.9	Very low	114 Å²	114	144 Å²	144	61%	0.61	74%	0.742	S	S	*	*			trans	69.4	141.8	165.2	-82	-32.8	0	0	0	119.3
290	K	35.1	Very low	31.9	Very low	157 Å²	157	143.2 Å²	143.2	68%	0.683	74%	0.735	S	S	*	*			cis	-166.5	158.8	-18.8	-142.9	-173.3	-150.9	96.2	0	111.8
291	L	32.3	Very low	31.7	Very low	153 Å²	153	144.3 Å²	144.3	80%	0.801	74%	0.738	S	S	*	*			trans	65.9	130.9	164.5	-54.8	154.7	0	0	0	115.8
292	S	30.3	Very low	31.6	Very low	99 Å²	99	139.7 Å²	139.7	69%	0.692	73%	0.734	S	S	*	*			cis	-162.3	-167.7	-8	-77.7	0	0	0	0	106.6
293	I	31.9	Very low	31.4	Very low	163 Å²	163	138.1 Å²	138.1	84%	0.836	73%	0.726	S	S	*	*			cis	-145.4	143	8.5	-36.8	162.1	0	0	0	111
294	K	27.4	Very low	31.2	Very low	185 Å²	185	140.6 Å²	140.6	80%	0.804	73%	0.727	S	S	*	*			trans	-32.4	151.4	150.3	-73.7	168.9	175.8	173.6	0	115
295	Q	31.7	Very low	30.8	Very low	151 Å²	151	144.3 Å²	144.3	71%	0.706	73%	0.733	S	S	*	*			cis	-151.1	171	15.8	-59.6	-172.5	30.2	0	0	108.7
296	K	30.4	Very low	30.4	Very low	181 Å²	181	143.3 Å²	143.3	79%	0.787	74%	0.737	S	S	*	*			cis	-161.8	137.3	-5.4	-126.2	168.5	-168.7	155.8	0	107.9
297	S	28.5	Very low	29.8	Very low	119 Å²	119	143.9 Å²	143.9	83%	0.832	75%	0.745	S	S	*	*			trans	-151.2	133.7	158.6	56.5	0	0	0	0	109.1
298	K	29.5	Very low	29.4	Very low	168 Å²	168	147.3 Å²	147.3	73%	0.73	75%	0.754	S	S	*	*			trans	-171.5	160	169.3	-129.1	174.9	-173.5	-77.9	0	113.6	E300	K298-E300 IonicContact NZ-OE1 3.77Å; K298-E300 IonicContact NZ-OE2 2.62Å; K298-E300 PolarHBondContact NZ-OE2 3.41Å
299	L	27.3	Very low	29.1	Very low	152 Å²	152	149.3 Å²	149.3	80%	0.796	76%	0.759	S	S	*	*			trans	90.5	85	173.5	-62.9	151.1	0	0	0	112.8
300	E	28.2	Very low	28.7	Very low	123 Å²	123	153 Å²	153	58%	0.575	77%	0.773	S	S	*	*				64.1	109.7	56	-57.9	173.6	103.6	0	0	114	K298	K298-E300 IonicContact NZ-OE1 3.77Å; K298-E300 IonicContact NZ-OE2 2.62Å; K298-E300 PolarHBondContact NZ-OE2 3.41Å
301	T	27.2	Very low	28.3	Very low	127 Å²	127	154.8 Å²	154.8	78%	0.779	78%	0.78	S	S	*	*				59.4	117	126.8	-43.9	0	0	0	0	118.9
302	V	30.1	Very low	27.9	Very low	129 Å²	129	156.1 Å²	156.1	78%	0.782	78%	0.783	S	S	*	*			trans	-166.3	157.2	134.8	131.6	0	0	0	0	111.7
303	L	27.1	Very low	27.7	Very low	129 Å²	129	158.2 Å²	158.2	68%	0.675	79%	0.792	S	S	*	*			trans	-30.8	166.7	166.6	-73.1	50	0	0	0	117.2
304	E	26.7	Very low	27.5	Very low	150 Å²	150	157.8 Å²	157.8	70%	0.701	78%	0.784	S	S	*	*			cis	-161.2	-178.5	-14.7	-115.3	178.9	133.4	0	0	110.8	S306	E304-S306 PolarHBondContact O-N 3.28Å
305	K	26.8	Very low	27.3	Very low	188 Å²	188	159.1 Å²	159.1	82%	0.817	79%	0.79	S	S	*	*			trans	-53.1	129.5	176.4	-52.5	146.7	-173.6	153.7	0	112.8
306	S	28	Very low	27.2	Very low	113 Å²	113	156.4 Å²	156.4	79%	0.79	78%	0.78	S	S	*	*			trans	-155.1	144	143	46.6	0	0	0	0	109.5	E304	E304-S306 PolarHBondContact O-N 3.28Å
307	D	25.3	Very low	26.9	Very low	157 Å²	157	155.8 Å²	155.8	84%	0.84	78%	0.784	S	S	*	*			trans	-77	129.9	-174.2	-50.2	-100.4	0	0	0	111.5
308	F	26.8	Very low	26.8	Very low	200 Å²	200	154.7 Å²	154.7	88%	0.877	77%	0.774	S	S	*	*			trans	-148.7	149.8	151.1	-119.9	-80.1	0	0	0	112.2	Q310	F308-Q310 PolarHBondContact O-N 2.97Å
309	Q	26.2	Very low	26.8	Very low	177 Å²	177	154.7 Å²	154.7	83%	0.827	78%	0.781	S	S	*	*			trans	-72.5	117.8	-163.8	-64.6	155.8	-27.3	0	0	112.4	K311	Q309-K311 PolarHBondContact O-N 3.32Å
310	Q	26.4	Very low	26.7	Very low	192 Å²	192	153.8 Å²	153.8	90%	0.897	78%	0.782	S	S	*	*			trans	-83.2	112.5	170.8	-158.5	164.1	16.1	0	0	109.7	F308 E312	F308-Q310 PolarHBondContact O-N 2.97Å; Q310-E312 PolarHBondContact O-N 3.35Å
311	K	25.8	Very low	26.6	Very low	194 Å²	194	156.1 Å²	156.1	84%	0.843	80%	0.797	S	S	*	*			trans	-80.3	98.9	-172.7	-173	179.8	-177.5	-176.9	0	110.1	Q309 T313	Q309-K311 PolarHBondContact O-N 3.32Å; K311-T313 PolarHBondContact O-N 2.74Å
312	E	24.8	Very low	26.5	Very low	182 Å²	182	155.1 Å²	155.1	85%	0.85	79%	0.792	S	S	*	*			trans	-60.1	120.9	174.2	-67.2	-174.6	143.4	0	0	110.2	Q310 F314	Q310-E312 PolarHBondContact O-N 3.35Å; E312-F314 PolarHBondContact O-N 3.18Å
313	T	25.7	Very low	26.3	Very low	143 Å²	143	154.5 Å²	154.5	88%	0.877	79%	0.791	S	S	*	*			trans	-81.1	115	176.3	46.6	0	0	0	0	109.8	K311	K311-T313 PolarHBondContact O-N 2.74Å
314	F	26.9	Very low	26.5	Very low	154 Å²	154	154 Å²	154	68%	0.675	80%	0.795	S	S	*	*			trans	-85.8	150	-169.9	-146.7	-124.4	0	0	0	111.9	E312 D316	E312-F314 PolarHBondContact O-N 3.18Å; F314-D316 HydrophobicContact CD1-CB 3.89Å; F314-D316 HydrophobicContact CE1-CB 3.47Å; F314-D316 VanDerWaalsContact CE1-CB 3.47Å; F314-D316 VanDerWaalsContact CE1-OD2 3.27Å; F314-D316 WeakPolarHBondContact CE1-OD2 3.35Å; F314-D316 HydrophobicContact CZ-CB 4.12Å; F314-D316 VanDerWaalsContact CZ-CG 3.41Å; F314-D316 WeakPolarHBondContact CZ-OD2 3.46Å
315	F	23.9	Very low	26.5	Very low	213 Å²	213	152.1 Å²	152.1	93%	0.934	80%	0.796	S	S	*	*			trans	-150.7	76	163.3	-145.8	-79.7	0	0	0	110.7
316	D	28.8	Very low	26.6	Very low	94 Å²	94	149.1 Å²	149.1	50%	0.503	80%	0.796	S	S	.	*			trans	-95.2	153.5	178.3	-97.2	16.7	0	0	0	111.8	F314	F314-D316 HydrophobicContact CD1-CB 3.89Å; F314-D316 HydrophobicContact CE1-CB 3.47Å; F314-D316 VanDerWaalsContact CE1-CB 3.47Å; F314-D316 VanDerWaalsContact CE1-OD2 3.27Å; F314-D316 WeakPolarHBondContact CE1-OD2 3.35Å; F314-D316 HydrophobicContact CZ-CB 4.12Å; F314-D316 VanDerWaalsContact CZ-CG 3.41Å; F314-D316 WeakPolarHBondContact CZ-OD2 3.46Å
317	I	25.3	Very low	26.8	Very low	168 Å²	168	149.5 Å²	149.5	86%	0.862	80%	0.798	S	S	*	*			trans	-94.4	107.6	147.6	-63.7	173.4	0	0	0	105.4
318	P	25.8	Very low	27.3	Very low	95 Å²	95	147.8 Å²	147.8	62%	0.617	80%	0.799	S	S	*	*			trans	-88.1	121.3	-160	31.9	-35	0	0	0	113.8
319	L	29	Very low	27.6	Very low	168 Å²	168	149.3 Å²	149.3	88%	0.88	80%	0.799	S	S	*	*			trans	-134.7	93.7	164.3	-74.3	177.4	0	0	0	111.1
320	T	25.2	Very low	28.1	Very low	133 Å²	133	147.6 Å²	147.6	82%	0.816	80%	0.8	S	S	*	*			trans	-81.9	125	174.3	52	0	0	0	0	111.8
321	I	26.6	Very low	28.3	Very low	173 Å²	173	144.1 Å²	144.1	89%	0.887	79%	0.793	S	S	*	*			trans	-161.1	161.2	166.4	-110.1	148.8	0	0	0	109.7
322	P	24.8	Very low	28.8	Very low	105 Å²	105	140.7 Å²	140.7	68%	0.682	79%	0.788	S	S	*	*	P	Polyproline II helix		-94.4	173.9	-127.8	37	-38.6	0	0	0	116.4
323	P	25.4	Very low	29.6	Very low	117 Å²	117	136.5 Å²	136.5	76%	0.76	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-63.5	148.4	177.7	25.6	-37	0	0	0	114
324	P	31.5	Very low	30.4	Very low	117 Å²	117	138 Å²	138	76%	0.76	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-72.4	151.5	-177.2	29.3	-35.8	0	0	0	113.6
325	P	27.6	Very low	31	Very low	112 Å²	112	137.4 Å²	137.4	73%	0.727	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-71.9	157.9	-179	30.1	-35.9	0	0	0	113.4	S327	P325-S327 PolarHBondContact O-N 3.34Å
326	P	29	Very low	31.3	Very low	124 Å²	124	136.7 Å²	136.7	81%	0.805	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-73.6	125.1	-171.3	28.5	-35.3	0	0	0	113.7	S328	P326-S328 PolarHBondContact O-N 3.18Å
327	S	31.9	Very low	31.8	Very low	121 Å²	121	142.3 Å²	142.3	85%	0.846	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-70.1	122.3	-178.5	-50.9	0	0	0	0	113.9	P325 R329	P325-S327 PolarHBondContact O-N 3.34Å; S327-R329 PolarHBondContact O-N 3.15Å
328	S	35.1	Very low	32.2	Very low	121 Å²	121	143.5 Å²	143.5	85%	0.846	79%	0.794	S	S	*	*			trans	-77.5	88.9	175.7	-75	0	0	0	0	113.2	P326	P326-S328 PolarHBondContact O-N 3.18Å
329	R	33.1	Very low	32.4	Very low	232 Å²	232	144.9 Å²	144.9	88%	0.875	80%	0.803	S	S	*	*			trans	36.7	107.3	147.4	-51.9	179.7	-165.8	-160.2	2.9	118.3	S327	S327-R329 PolarHBondContact O-N 3.15Å
330	T	36.8	Very low	32.7	Very low	141 Å²	141	143.5 Å²	143.5	87%	0.865	80%	0.801	S	S	*	*				-145.5	115.5	115	13.1	0	0	0	0	111.9
331	T	31.6	Very low	33.2	Very low	120 Å²	120	144.1 Å²	144.1	74%	0.736	81%	0.805	S	S	*	*			trans	-22.2	146.5	152.1	49	0	0	0	0	115.3
332	T	36.9	Very low	33.8	Very low	122 Å²	122	138.3 Å²	138.3	75%	0.748	79%	0.788	S	S	*	*				-161.9	146.5	53.6	-49.6	0	0	0	0	113
333	S	39.9	Very low	34.9	Very low	94 Å²	94	142.5 Å²	142.5	66%	0.657	79%	0.79	S	S	*	*			trans	63.2	112.1	169.3	-66.4	0	0	0	0	118.2
334	Q	43	Very low	36.2	Very low	175 Å²	175	142.4 Å²	142.4	82%	0.818	78%	0.783	S	S	*	*				71.1	127.2	71	-71.4	-168.8	71.8	0	0	112.9
335	I	39.7	Very low	37.6	Very low	140 Å²	140	139.1 Å²	139.1	72%	0.718	76%	0.756	S	S	*	*			cis	-142.2	135.4	14.4	-60.6	-177.7	0	0	0	113.1
336	K	31.2	Very low	39.3	Very low	198 Å²	198	137.7 Å²	137.7	86%	0.861	75%	0.745	S	S	*	*			trans	13.6	121.4	153.4	-50.7	171.4	-177	177.3	0	120.3
337	K	38	Very low	41.1	Very low	213 Å²	213	131.9 Å²	131.9	93%	0.926	71%	0.708	S	S	*	*			trans	-148.3	161.1	144.2	-106.5	166	-174.3	175	0	110.1
338	K	34.8	Very low	42.7	Very low	192 Å²	192	129.8 Å²	129.8	84%	0.835	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-62.9	152.7	-170.4	-78	-174.6	173.4	-174.7	0	113.2	T340	K338-T340 PolarHBondContact O-N 2.88Å
339	P	28.8	Very low	44	Very low	125 Å²	125	126.4 Å²	126.4	81%	0.812	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-68	121.4	165.4	29.8	-33.1	0	0	0	110
340	T	35	Very low	45.6	Very low	138 Å²	138	117.3 Å²	117.3	85%	0.847	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-84.5	126.5	171.1	-31.6	0	0	0	0	108.4	K338 G342	K338-T340 PolarHBondContact O-N 2.88Å; T340-G342 VanDerWaalsContact C-N 3.35Å; T340-G342 PolarHBondContact O-N 2.97Å
341	V	36.2	Very low	46.6	Very low	146 Å²	146	112.3 Å²	112.3	89%	0.885	61%	0.611	S	S	*	*			trans	-74.3	88	179.2	-175.9	0	0	0	0	109.6
342	G	39.4	Very low	47.3	Very low	52 Å²	52	113.7 Å²	113.7	54%	0.536	61%	0.614	S	S	.	*			trans	-71.8	137.9	169.8	0	0	0	0	0	110.6	T340 L344	T340-G342 VanDerWaalsContact C-N 3.35Å; T340-G342 PolarHBondContact O-N 2.97Å; G342-L344 PolarHBondContact O-N 2.93Å
343	R	47.5	Very low	48	Very low	192 Å²	192	110.9 Å²	110.9	73%	0.725	60%	0.595	S	S	*	*			trans	-69	112.5	170.1	-73.8	-171.7	-179.4	-170.6	0	109
344	L	54.1	Low	48.6	Very low	116 Å²	116	109.6 Å²	109.6	61%	0.607	59%	0.59	S	S	*	*			trans	-77.5	145.3	170.3	-55.5	173.6	0	0	0	109.2	G342 A354	G342-L344 PolarHBondContact O-N 2.93Å; L344-A354 HydrophobicContact CD1-CB 4.05Å; L344-A354 HydrophobicContact CD2-CB 4.33Å
345	F	60	Low	49.8	Very low	48 Å²	48	102.7 Å²	102.7	21%	0.211	56%	0.558	C	S	.	*	B	Isolated β-bridge	trans	-109.4	113.1	173	-63.2	-80.8	0	0	0	108.7	L355 S357 L358 R361	F345-L355 PolarHBondContact N-O 3.23Å; F345-L355 VanDerWaalsContact O-CB 3.28Å; F345-L355 WeakPolarHBondContact O-CB 3.4Å; F345-L355 PolarHBondContact O-N 3.32Å; F345-S357 VanDerWaalsContact CD2-C 3.4Å; F345-S357 VanDerWaalsContact CD2-CA 3.45Å; F345-L358 HydrophobicContact CD1-CD2 3.41Å; F345-L358 VanDerWaalsContact CD1-CD2 3.41Å; F345-L358 HydrophobicContact CD1-CG 3.7Å; F345-L358 HydrophobicContact CE1-CD1 4.24Å; F345-L358 HydrophobicContact CE1-CD2 3.62Å; F345-L358 HydrophobicContact CE1-CG 3.52Å; F345-L358 HydrophobicContact CG-CD2 4.27Å; F345-L358 HydrophobicContact CG-CG 4.35Å; F345-L358 HydrophobicContact CZ-CG 4.04Å; F345-R361 HydrophobicContact CB-CB 4.3Å
346	V	63.4	Low	51	Low	81 Å²	81	100 Å²	100	49%	0.491	55%	0.552	S	S	.	*			trans	-92.5	146	-176.8	-178.1	0	0	0	0	109.9	G351 R361	V346-G351 WeakPolarHBondContact CG1-O 3.48Å; V346-R361 WeakPolarHBondContact O-CD 3.43Å
347	C	67.5	Low	53	Low	2 Å²	2	92.3 Å²	92.3	1%	0.014	52%	0.523	C	S	.	.			trans	-74.1	129.7	169.5	-173.2	0	0	0	0	110.3	L349 C350 G351 H364	C347-L349 PolarHBondContact O-N 3.43Å; C347-L349 VanDerWaalsContact O-N 3.14Å; C347-C350 WeakPolarHBondContact CB-SG 3.38Å; C347-G351 PolarHBondContact O-N 3.11Å; C347-H364 VanDerWaalsContact CB-NE2 3.32Å; C347-H364 WeakPolarHBondContact CB-NE2 3.49Å; C347-H364 VanDerWaalsContact SG-CD2 3.59Å; C347-H364 PolarHBondContact SG-NE2 3.3Å
348	P	64.2	Low	54.7	Low	77 Å²	77	85.5 Å²	85.5	50%	0.5	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-11.3	178.7	28.6	-35.6	0	0	0	114.2	V374	P348-V374 HydrophobicContact CG-CB 4.19Å; P348-V374 HydrophobicContact CG-CG1 4.49Å; P348-V374 HydrophobicContact CG-CG2 3.75Å
349	L	63.3	Low	56.9	Low	51 Å²	51	84.7 Å²	84.7	27%	0.267	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-56.4	-176.8	-68.2	169.4	0	0	0	113.4	C347 L365 H369 E372 V374 L425	C347-L349 PolarHBondContact O-N 3.43Å; C347-L349 VanDerWaalsContact O-N 3.14Å; L349-L365 HydrophobicContact CD1-CD1 3.72Å; L349-H369 VanDerWaalsContact CB-CE1 3.42Å; L349-H369 WeakPolarHBondContact CB-CE1 3.36Å; L349-H369 HydrophobicContact CD1-CB 3.53Å; L349-H369 VanDerWaalsContact CD1-CG 3.41Å; L349-H369 WeakPolarHBondContact CD1-ND1 3.5Å; L349-E372 HydrophobicContact CD1-CB 3.89Å; L349-E372 VanDerWaalsContact CD1-OE2 3.25Å; L349-E372 WeakPolarHBondContact CD1-OE2 3.35Å; L349-V374 HydrophobicContact CD1-CG1 3.5Å; L349-V374 HydrophobicContact CD2-CG1 3.69Å; L349-V374 HydrophobicContact CG-CG1 3.59Å; L349-L425 HydrophobicContact CD2-CD2 3.76Å
350	C	67.3	Low	59.2	Low	41 Å²	41	82.2 Å²	82.2	28%	0.277	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-25.3	-178	72.7	0	0	0	0	114.2	C347 D352 H364	C347-C350 WeakPolarHBondContact CB-SG 3.38Å; C350-D352 PolarHBondContact O-N 3.35Å; C350-H364 PolarHBondContact SG-NE2 3.39Å
351	G	57.4	Low	61.3	Low	36 Å²	36	77 Å²	77	37%	0.371	43%	0.431	S	S	.	.			trans	66.8	-34.4	-172.1	0	0	0	0	0	115.8	V346 C347 N353	V346-G351 WeakPolarHBondContact CG1-O 3.48Å; C347-G351 PolarHBondContact O-N 3.11Å; G351-N353 VanDerWaalsContact C-N 3.27Å; G351-N353 PolarHBondContact O-N 2.62Å
352	D	46.4	Very low	63.4	Low	149 Å²	149	71.6 Å²	71.6	80%	0.797	40%	0.396	S	S	*	.			trans	-69.4	-15.4	-167.3	-69.9	-32.6	0	0	0	115.5	C350	C350-D352 PolarHBondContact O-N 3.35Å
353	N	51.2	Low	65.6	Low	63 Å²	63	72.9 Å²	72.9	34%	0.337	39%	0.388	S	S	.	.			trans	-98.4	101.9	-176.1	-73.6	-42.7	0	0	0	112.1	G351 L355 H364	G351-N353 VanDerWaalsContact C-N 3.27Å; G351-N353 PolarHBondContact O-N 2.62Å; N353-L355 HydrophobicContact CB-CD1 4.08Å; N353-L355 HydrophobicContact CB-CD2 3.99Å; N353-L355 HydrophobicContact CB-CG 3.87Å; N353-L355 PolarHBondContact O-N 3.47Å; N353-L355 VanDerWaalsContact O-N 3.14Å; N353-H364 PolarHBondContact ND2-CE1 3.41Å; N353-H364 PolarHBondContact ND2-NE2 3.47Å
354	A	53.4	Low	67.1	Low	67 Å²	67	64.5 Å²	64.5	55%	0.554	36%	0.358	S	S	*	.			trans	-79.2	80.1	169.2	0	0	0	0	0	111.1	L344	L344-A354 HydrophobicContact CD1-CB 4.05Å; L344-A354 HydrophobicContact CD2-CB 4.33Å
355	L	67.5	Low	68.2	Low	30 Å²	30	59 Å²	59	16%	0.157	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-83.4	148.3	-171.6	-56.2	165.9	0	0	0	111.7	F345 N353 E360 R361 H364	F345-L355 PolarHBondContact N-O 3.23Å; F345-L355 VanDerWaalsContact O-CB 3.28Å; F345-L355 WeakPolarHBondContact O-CB 3.4Å; F345-L355 PolarHBondContact O-N 3.32Å; N353-L355 HydrophobicContact CB-CD1 4.08Å; N353-L355 HydrophobicContact CB-CD2 3.99Å; N353-L355 HydrophobicContact CB-CG 3.87Å; N353-L355 PolarHBondContact O-N 3.47Å; N353-L355 VanDerWaalsContact O-N 3.14Å; L355-E360 HydrophobicContact CB-CB 4Å; L355-E360 HydrophobicContact CD2-CB 4.33Å; L355-E360 HydrophobicContact CG-CB 4.5Å; L355-R361 VanDerWaalsContact CD1-CA 3.45Å; L355-R361 HydrophobicContact CD1-CB 4.03Å; L355-H364 HydrophobicContact CD1-CB 3.91Å
356	S	65.4	Low	69.2	Low	84 Å²	84	61.9 Å²	61.9	59%	0.587	34%	0.343	S	S	*	.	S	Bend	trans	-79.8	-20.2	-173.9	86.8	0	0	0	0	113.2	E360	S356-E360 WeakPolarHBondContact CA-OE2 3.23Å; S356-E360 VanDerWaalsContact CB-OE2 3.31Å; S356-E360 WeakPolarHBondContact CB-OE2 3.29Å; S356-E360 PolarHBondContact N-OE2 3.44Å; S356-E360 PolarHBondContact OG-OE1 3.03Å; S356-E360 PolarHBondContact OG-OE2 3.41Å
357	S	73	Confident	70.2	Confident	36 Å²	36	62.1 Å²	62.1	25%	0.252	35%	0.348	S	S	.	.	S	Bend	trans	-145.1	159.2	-179.1	72.8	0	0	0	0	113.9	F345 R359 E360 R361	F345-S357 VanDerWaalsContact CD2-C 3.4Å; F345-S357 VanDerWaalsContact CD2-CA 3.45Å; S357-R359 PolarHBondContact O-N 3.26Å; S357-R359 PolarHBondContact OG-N 2.84Å; S357-E360 PolarHBondContact N-OE2 2.89Å; S357-E360 PolarHBondContact O-N 3.14Å; S357-E360 WeakPolarHBondContact OG-CG 3.45Å; S357-E360 PolarHBondContact OG-N 2.95Å; S357-E360 VanDerWaalsContact OG-N 3.12Å; S357-R361 PolarHBondContact O-N 2.67Å; S357-R361 VanDerWaalsContact O-N 3.15Å
358	L	72.8	Confident	70.8	Confident	69 Å²	69	65.2 Å²	65.2	36%	0.361	37%	0.37	S	S	.	.	H	α-helix	trans	-58.4	-30.5	168.1	-74.7	170.2	0	0	0	112.4	F345 R361 D362	F345-L358 HydrophobicContact CD1-CD2 3.41Å; F345-L358 VanDerWaalsContact CD1-CD2 3.41Å; F345-L358 HydrophobicContact CD1-CG 3.7Å; F345-L358 HydrophobicContact CE1-CD1 4.24Å; F345-L358 HydrophobicContact CE1-CD2 3.62Å; F345-L358 HydrophobicContact CE1-CG 3.52Å; F345-L358 HydrophobicContact CG-CD2 4.27Å; F345-L358 HydrophobicContact CG-CG 4.35Å; F345-L358 HydrophobicContact CZ-CG 4.04Å; L358-R361 PolarHBondContact O-N 3.13Å; L358-D362 WeakPolarHBondContact O-CB 3.21Å; L358-D362 VanDerWaalsContact O-CG 3.23Å; L358-D362 PolarHBondContact O-N 2.85Å
359	R	80.8	Confident	71.2	Confident	175 Å²	175	62.9 Å²	62.9	66%	0.66	35%	0.352	S	S	*	.	H	α-helix	trans	-66.2	-49.7	178.7	177.9	177.9	174.7	147.4	13.6	110.7	S357 R361 D362 E363	S357-R359 PolarHBondContact O-N 3.26Å; S357-R359 PolarHBondContact OG-N 2.84Å; R359-R361 VanDerWaalsContact C-N 3.26Å; R359-R361 PolarHBondContact O-N 3.27Å; R359-D362 PolarHBondContact O-N 3.29Å; R359-D362 VanDerWaalsContact O-N 3.14Å; R359-E363 HydrophobicContact CG-CG 4.34Å; R359-E363 IonicContact CZ-OE1 3.64Å; R359-E363 IonicContact NE-OE1 3.92Å; R359-E363 PolarHBondContact NE-OE1 3.49Å; R359-E363 IonicContact NE-OE2 3.58Å; R359-E363 IonicContact NH2-OE1 3.87Å; R359-E363 PolarHBondContact NH2-OE1 2.85Å; R359-E363 WeakPolarHBondContact O-CB 3.35Å; R359-E363 WeakPolarHBondContact O-CG 3.46Å; R359-E363 PolarHBondContact O-N 3.45Å
360	E	78.2	Confident	71.8	Confident	73 Å²	73	67.4 Å²	67.4	34%	0.341	38%	0.377	S	S	.	.	H	α-helix	trans	-59.8	-38.1	175.7	-72.9	166.4	-171.8	0	0	111.6	L355 S356 S357 H364	L355-E360 HydrophobicContact CB-CB 4Å; L355-E360 HydrophobicContact CD2-CB 4.33Å; L355-E360 HydrophobicContact CG-CB 4.5Å; S356-E360 WeakPolarHBondContact CA-OE2 3.23Å; S356-E360 VanDerWaalsContact CB-OE2 3.31Å; S356-E360 WeakPolarHBondContact CB-OE2 3.29Å; S356-E360 PolarHBondContact N-OE2 3.44Å; S356-E360 PolarHBondContact OG-OE1 3.03Å; S356-E360 PolarHBondContact OG-OE2 3.41Å; S357-E360 PolarHBondContact N-OE2 2.89Å; S357-E360 PolarHBondContact O-N 3.14Å; S357-E360 WeakPolarHBondContact OG-CG 3.45Å; S357-E360 PolarHBondContact OG-N 2.95Å; S357-E360 VanDerWaalsContact OG-N 3.12Å; E360-H364 WeakPolarHBondContact O-CB 3.4Å; E360-H364 PolarHBondContact O-N 3.14Å
361	R	77.7	Confident	71.7	Confident	30 Å²	30	66.7 Å²	66.7	11%	0.113	38%	0.376	C	S	.	.	H	α-helix	trans	-62.2	-45.4	173.7	-172.9	-153.6	65	176.9	-3.2	112.2	F345 V346 L355 S357 L358 R359 H364 L365	F345-R361 HydrophobicContact CB-CB 4.3Å; V346-R361 WeakPolarHBondContact O-CD 3.43Å; L355-R361 VanDerWaalsContact CD1-CA 3.45Å; L355-R361 HydrophobicContact CD1-CB 4.03Å; S357-R361 PolarHBondContact O-N 2.67Å; S357-R361 VanDerWaalsContact O-N 3.15Å; L358-R361 PolarHBondContact O-N 3.13Å; R359-R361 VanDerWaalsContact C-N 3.26Å; R359-R361 PolarHBondContact O-N 3.27Å; R361-H364 PolarHBondContact O-N 2.96Å; R361-L365 VanDerWaalsContact O-CB 3.23Å; R361-L365 WeakPolarHBondContact O-CB 3.19Å; R361-L365 PolarHBondContact O-N 3.45Å
362	D	81.8	Confident	72.2	Confident	31 Å²	31	68.1 Å²	68.1	17%	0.166	37%	0.373	C	S	.	.	H	α-helix	trans	-70.6	-39.6	-178.2	-71.3	4.2	0	0	0	111	L358 R359 L365 Q366 L386	L358-D362 WeakPolarHBondContact O-CB 3.21Å; L358-D362 VanDerWaalsContact O-CG 3.23Å; L358-D362 PolarHBondContact O-N 2.85Å; R359-D362 PolarHBondContact O-N 3.29Å; R359-D362 VanDerWaalsContact O-N 3.14Å; D362-L365 PolarHBondContact O-N 2.81Å; D362-Q366 WeakPolarHBondContact O-CG 3.42Å; D362-Q366 PolarHBondContact O-N 3.42Å; D362-L386 HydrophobicContact CB-CD2 3.65Å
363	E	84.2	Confident	73.9	Confident	79 Å²	79	64 Å²	64	37%	0.369	35%	0.351	S	S	.	.	H	α-helix	trans	-65.9	-38.5	173	-71.8	171.8	162.8	0	0	112.1	R359 S367	R359-E363 HydrophobicContact CG-CG 4.34Å; R359-E363 IonicContact CZ-OE1 3.64Å; R359-E363 IonicContact NE-OE1 3.92Å; R359-E363 PolarHBondContact NE-OE1 3.49Å; R359-E363 IonicContact NE-OE2 3.58Å; R359-E363 IonicContact NH2-OE1 3.87Å; R359-E363 PolarHBondContact NH2-OE1 2.85Å; R359-E363 WeakPolarHBondContact O-CB 3.35Å; R359-E363 WeakPolarHBondContact O-CG 3.46Å; R359-E363 PolarHBondContact O-N 3.45Å; E363-S367 VanDerWaalsContact O-CB 3.25Å; E363-S367 WeakPolarHBondContact O-CB 3.38Å; E363-S367 PolarHBondContact O-N 2.88Å; E363-S367 PolarHBondContact O-OG 3.31Å
364	H	80	Confident	75	Confident	17 Å²	17	61.7 Å²	61.7	8%	0.079	34%	0.339	C	S	.	.	H	α-helix	trans	-66.7	-43	173.4	166.2	48.7	0	0	0	112.3	C347 C350 N353 L355 E360 R361 Q366 S367 S368 H369	C347-H364 VanDerWaalsContact CB-NE2 3.32Å; C347-H364 WeakPolarHBondContact CB-NE2 3.49Å; C347-H364 VanDerWaalsContact SG-CD2 3.59Å; C347-H364 PolarHBondContact SG-NE2 3.3Å; C350-H364 PolarHBondContact SG-NE2 3.39Å; N353-H364 PolarHBondContact ND2-CE1 3.41Å; N353-H364 PolarHBondContact ND2-NE2 3.47Å; L355-H364 HydrophobicContact CD1-CB 3.91Å; E360-H364 WeakPolarHBondContact O-CB 3.4Å; E360-H364 PolarHBondContact O-N 3.14Å; R361-H364 PolarHBondContact O-N 2.96Å; H364-Q366 VanDerWaalsContact C-N 3.31Å; H364-Q366 PolarHBondContact O-N 3.36Å; H364-S367 PolarHBondContact O-N 2.91Å; H364-S367 PolarHBondContact O-OG 3.17Å; H364-S368 VanDerWaalsContact CE1-CB 3.4Å; H364-S368 WeakPolarHBondContact CE1-CB 3.22Å; H364-S368 WeakPolarHBondContact ND1-CB 3.5Å; H364-S368 PolarHBondContact ND1-OG 3.26Å; H364-S368 VanDerWaalsContact O-CB 3.25Å; H364-S368 WeakPolarHBondContact O-CB 3.25Å; H364-S368 PolarHBondContact O-N 2.9Å; H364-S368 PolarHBondContact O-OG 2.96Å; H364-H369 AromaticContact CE1-CD2 3.76Å; H364-H369 AromaticContact CE1-NE2 3.61Å; H364-H369 AromaticContact NE2-CD2 3.89Å; H364-H369 AromaticContact NE2-NE2 3.65Å
365	L	77	Confident	76.3	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-65.1	-34.6	178.2	-175.5	58	0	0	0	112	L349 R361 D362 H369 G371 V374 F375 P385	L349-L365 HydrophobicContact CD1-CD1 3.72Å; R361-L365 VanDerWaalsContact O-CB 3.23Å; R361-L365 WeakPolarHBondContact O-CB 3.19Å; R361-L365 PolarHBondContact O-N 3.45Å; D362-L365 PolarHBondContact O-N 2.81Å; L365-H369 HydrophobicContact CD1-CB 4.14Å; L365-H369 CarbonylContact O-C 3.52Å; L365-H369 WeakPolarHBondContact O-CB 3.35Å; L365-G371 PolarHBondContact O-N 2.9Å; L365-V374 HydrophobicContact CD1-CG1 4.21Å; L365-V374 HydrophobicContact CD1-CG2 4.12Å; L365-V374 HydrophobicContact CD2-CG2 3.73Å; L365-F375 HydrophobicContact CD2-CE2 3.61Å; L365-F375 HydrophobicContact CD2-CZ 4.27Å; L365-P385 WeakPolarHBondContact CD2-O 3.5Å
366	Q	81.6	Confident	77.1	Confident	108 Å²	108	59.1 Å²	59.1	51%	0.505	32%	0.316	S	S	.	.	H	α-helix	trans	-70.5	-46.2	170.5	-71.7	177.7	-49.4	0	0	112.9	D362 H364 N370 L386	D362-Q366 WeakPolarHBondContact O-CG 3.42Å; D362-Q366 PolarHBondContact O-N 3.42Å; H364-Q366 VanDerWaalsContact C-N 3.31Å; H364-Q366 PolarHBondContact O-N 3.36Å; Q366-N370 WeakPolarHBondContact O-CA 3.11Å; Q366-N370 PolarHBondContact O-N 3.44Å; Q366-L386 HydrophobicContact CG-CD2 4.24Å
367	S	84.1	Confident	78.2	Confident	85 Å²	85	55.1 Å²	55.1	59%	0.594	29%	0.288	S	S	*	.	H	α-helix	trans	-88	-27.2	-168.6	59.3	0	0	0	0	115.7	E363 H364	E363-S367 VanDerWaalsContact O-CB 3.25Å; E363-S367 WeakPolarHBondContact O-CB 3.38Å; E363-S367 PolarHBondContact O-N 2.88Å; E363-S367 PolarHBondContact O-OG 3.31Å; H364-S367 PolarHBondContact O-N 2.91Å; H364-S367 PolarHBondContact O-OG 3.17Å
368	S	78.9	Confident	78.9	Confident	68 Å²	68	54.2 Å²	54.2	48%	0.476	28%	0.28	S	S	.	.	H	α-helix	trans	-109.3	-17.9	-174.3	-48.6	0	0	0	0	113.3	H364	H364-S368 VanDerWaalsContact CE1-CB 3.4Å; H364-S368 WeakPolarHBondContact CE1-CB 3.22Å; H364-S368 WeakPolarHBondContact ND1-CB 3.5Å; H364-S368 PolarHBondContact ND1-OG 3.26Å; H364-S368 VanDerWaalsContact O-CB 3.25Å; H364-S368 WeakPolarHBondContact O-CB 3.25Å; H364-S368 PolarHBondContact O-N 2.9Å; H364-S368 PolarHBondContact O-OG 2.96Å
369	H	73.9	Confident	79.5	Confident	27 Å²	27	53.5 Å²	53.5	13%	0.125	28%	0.276	C	S	.	.	S	Bend	trans	-125.9	21.6	179.3	-63.3	-78.3	0	0	0	111.7	L349 H364 L365 G371 E372	L349-H369 VanDerWaalsContact CB-CE1 3.42Å; L349-H369 WeakPolarHBondContact CB-CE1 3.36Å; L349-H369 HydrophobicContact CD1-CB 3.53Å; L349-H369 VanDerWaalsContact CD1-CG 3.41Å; L349-H369 WeakPolarHBondContact CD1-ND1 3.5Å; H364-H369 AromaticContact CE1-CD2 3.76Å; H364-H369 AromaticContact CE1-NE2 3.61Å; H364-H369 AromaticContact NE2-CD2 3.89Å; H364-H369 AromaticContact NE2-NE2 3.65Å; L365-H369 HydrophobicContact CD1-CB 4.14Å; L365-H369 CarbonylContact O-C 3.52Å; L365-H369 WeakPolarHBondContact O-CB 3.35Å; H369-G371 PolarHBondContact O-N 3.09Å; H369-E372 HydrophobicContact CB-CB 4.41Å; H369-E372 VanDerWaalsContact O-CB 3.32Å; H369-E372 WeakPolarHBondContact O-CB 3.45Å; H369-E372 VanDerWaalsContact O-CG 3.23Å; H369-E372 WeakPolarHBondContact O-CG 3.36Å; H369-E372 PolarHBondContact O-N 3.25Å
370	N	75	Confident	79.9	Confident	146 Å²	146	45.7 Å²	45.7	78%	0.781	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	18.9	171.2	-58.5	-20.5	0	0	0	116.9	Q366	Q366-N370 WeakPolarHBondContact O-CA 3.11Å; Q366-N370 PolarHBondContact O-N 3.44Å
371	G	64.7	Low	80.2	Confident	26 Å²	26	42.2 Å²	42.2	27%	0.268	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	32.9	-171.2	0	0	0	0	0	114.5	L365 H369 P385	L365-G371 PolarHBondContact O-N 2.9Å; H369-G371 PolarHBondContact O-N 3.09Å; G371-P385 WeakPolarHBondContact O-CB 3.28Å
372	E	69.6	Low	80.7	Confident	66 Å²	66	43.8 Å²	43.8	31%	0.308	24%	0.241	S	C	.	.			trans	-51.3	137.4	168.1	-85.2	165.6	-136.7	0	0	111.9	L349 H369 V374 P385 L425	L349-E372 HydrophobicContact CD1-CB 3.89Å; L349-E372 VanDerWaalsContact CD1-OE2 3.25Å; L349-E372 WeakPolarHBondContact CD1-OE2 3.35Å; H369-E372 HydrophobicContact CB-CB 4.41Å; H369-E372 VanDerWaalsContact O-CB 3.32Å; H369-E372 WeakPolarHBondContact O-CB 3.45Å; H369-E372 VanDerWaalsContact O-CG 3.23Å; H369-E372 WeakPolarHBondContact O-CG 3.36Å; H369-E372 PolarHBondContact O-N 3.25Å; E372-V374 HydrophobicContact CB-CG1 4.38Å; E372-V374 PolarHBondContact O-N 3.28Å; E372-P385 WeakPolarHBondContact O-CA 3.42Å; E372-L425 HydrophobicContact CB-CD1 4.04Å; E372-L425 HydrophobicContact CG-CD1 3.84Å
373	L	81.2	Confident	80.8	Confident	63 Å²	63	42.5 Å²	42.5	33%	0.33	24%	0.235	S	C	.	.			trans	-85.2	67.8	-165.8	-58.4	-178.8	0	0	0	112.7	F375 A383 Y384 P385 V426 V441	L373-F375 PolarHBondContact O-N 3.01Å; L373-A383 HydrophobicContact CB-CB 3.78Å; L373-A383 WeakPolarHBondContact O-CB 3.3Å; L373-Y384 CarbonylContact C-O 3.35Å; L373-P385 HydrophobicContact CD2-CB 4.25Å; L373-P385 HydrophobicContact CD2-CG 4.37Å; L373-V426 WeakPolarHBondContact O-CG1 3.4Å; L373-V441 HydrophobicContact CD1-CG1 4.03Å
374	V	75	Confident	80.7	Confident	14 Å²	14	41.1 Å²	41.1	9%	0.085	23%	0.227	C	C	.	.			trans	-83.1	-6.7	-169.9	-53.8	0	0	0	0	116.4	P348 L349 L365 E372 P376 Y384	P348-V374 HydrophobicContact CG-CB 4.19Å; P348-V374 HydrophobicContact CG-CG1 4.49Å; P348-V374 HydrophobicContact CG-CG2 3.75Å; L349-V374 HydrophobicContact CD1-CG1 3.5Å; L349-V374 HydrophobicContact CD2-CG1 3.69Å; L349-V374 HydrophobicContact CG-CG1 3.59Å; L365-V374 HydrophobicContact CD1-CG1 4.21Å; L365-V374 HydrophobicContact CD1-CG2 4.12Å; L365-V374 HydrophobicContact CD2-CG2 3.73Å; E372-V374 HydrophobicContact CB-CG1 4.38Å; E372-V374 PolarHBondContact O-N 3.28Å; V374-P376 VanDerWaalsContact O-CD 3.22Å; V374-P376 WeakPolarHBondContact O-CD 3.42Å; V374-Y384 PolarHBondContact N-O 3.39Å
375	F	79.9	Confident	80.6	Confident	24 Å²	24	42.2 Å²	42.2	11%	0.105	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	89.1	-177.6	-63.3	-70.6	0	0	0	111.1	L365 L373 A383 Y384 Y387 L390	L365-F375 HydrophobicContact CD2-CE2 3.61Å; L365-F375 HydrophobicContact CD2-CZ 4.27Å; L373-F375 PolarHBondContact O-N 3.01Å; F375-A383 WeakPolarHBondContact O-CA 3.4Å; F375-Y384 WeakPolarHBondContact CB-O 3.09Å; F375-Y384 PolarHBondContact N-O 3Å; F375-Y384 PolarHBondContact O-N 2.85Å; F375-Y387 HydrophobicContact CE1-CD2 4.44Å; F375-L390 HydrophobicContact CB-CB 4Å; F375-L390 HydrophobicContact CB-CD2 3.94Å
376	P	84.8	Confident	80.8	Confident	20 Å²	20	43.4 Å²	43.4	13%	0.13	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	146.8	179.6	29.9	-33.8	0	0	0	112.6	V374 L390 V426 F428	V374-P376 VanDerWaalsContact O-CD 3.22Å; V374-P376 WeakPolarHBondContact O-CD 3.42Å; P376-L390 WeakPolarHBondContact O-CD2 3.49Å; P376-V426 HydrophobicContact CB-CB 4.21Å; P376-V426 HydrophobicContact CB-CG1 4.21Å; P376-V426 HydrophobicContact CG-CB 4.12Å; P376-V426 HydrophobicContact CG-CG1 4.1Å; P376-F428 HydrophobicContact CB-CD1 4.16Å; P376-F428 HydrophobicContact CB-CE1 3.4Å; P376-F428 HydrophobicContact CB-CZ 3.75Å; P376-F428 HydrophobicContact CG-CE1 4.48Å
377	C	88.5	Confident	80.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.227	C	C	.	.			trans	-88.4	118.5	162.2	173.8	0	0	0	0	110.3	I379 C380 G381 M382 L390 H393 H398 V405 V433	C377-I379 PolarHBondContact O-N 3.32Å; C377-I379 VanDerWaalsContact O-N 3.15Å; C377-I379 PolarHBondContact SG-N 2.95Å; C377-I379 VanDerWaalsContact SG-N 3.35Å; C377-C380 PolarHBondContact O-N 3.45Å; C377-G381 PolarHBondContact O-N 2.93Å; C377-M382 WeakPolarHBondContact CB-O 3.42Å; C377-M382 PolarHBondContact N-O 3.36Å; C377-L390 HydrophobicContact CB-CD1 3.79Å; C377-H393 WeakPolarHBondContact CB-NE2 3.15Å; C377-H393 PolarHBondContact SG-NE2 2.93Å; C377-H398 VanDerWaalsContact SG-CD2 3.59Å; C377-H398 PolarHBondContact SG-NE2 3.27Å; C377-H398 VanDerWaalsContact SG-NE2 3.36Å; C377-V405 HydrophobicContact CB-CG1 4.21Å; C377-V433 WeakPolarHBondContact O-CG1 3.46Å
378	Q	87.1	Confident	80.5	Confident	17 Å²	17	40.5 Å²	40.5	8%	0.079	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	8.4	178.5	-57.2	-60.8	-8.7	0	0	114.1	V405 R406 A427 F428	Q378-V405 PolarHBondContact N-O 3.4Å; Q378-R406 VanDerWaalsContact CG-O 3.29Å; Q378-R406 WeakPolarHBondContact CG-O 3.29Å; Q378-A427 PolarHBondContact NE2-O 2.76Å; Q378-A427 VanDerWaalsContact NE2-O 3.1Å; Q378-F428 VanDerWaalsContact OE1-CA 3.28Å
379	I	85.7	Confident	80.5	Confident	54 Å²	54	38.6 Å²	38.6	28%	0.277	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-26.5	175.2	-50.2	-177.1	0	0	0	111.9	C377 H398 T404 V405	C377-I379 PolarHBondContact O-N 3.32Å; C377-I379 VanDerWaalsContact O-N 3.15Å; C377-I379 PolarHBondContact SG-N 2.95Å; C377-I379 VanDerWaalsContact SG-N 3.35Å; I379-H398 HydrophobicContact CD1-CB 4.21Å; I379-H398 VanDerWaalsContact CG2-CE1 3.49Å; I379-H398 WeakPolarHBondContact CG2-CE1 3.23Å; I379-H398 WeakPolarHBondContact CG2-ND1 3.48Å; I379-T404 HydrophobicContact CD1-CG2 4.17Å; I379-V405 HydrophobicContact CD1-CG2 3.58Å; I379-V405 HydrophobicContact CG1-CG2 4.22Å
380	C	88.7	Confident	80.9	Confident	11 Å²	11	37.4 Å²	37.4	7%	0.074	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.4	-2.2	-176.7	75.6	0	0	0	0	116.7	C377 M382 H393 H398 L436 R440	C377-C380 PolarHBondContact O-N 3.45Å; C380-M382 PolarHBondContact O-N 3.13Å; C380-M382 VanDerWaalsContact O-N 3.14Å; C380-M382 VanDerWaalsContact SG-CB 3.59Å; C380-M382 VanDerWaalsContact SG-CG 3.59Å; C380-H393 PolarHBondContact SG-CE1 2.95Å; C380-H393 PolarHBondContact SG-NE2 3.41Å; C380-H398 PolarHBondContact SG-NE2 2.98Å; C380-H398 VanDerWaalsContact SG-NE2 3.43Å; C380-L436 WeakPolarHBondContact O-CB 3.32Å; C380-R440 PolarHBondContact O-NH1 3.38Å
381	G	85.2	Confident	81.1	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.			trans	75.5	-6.3	178.1	0	0	0	0	0	115.1	C377 A383 H437	C377-G381 PolarHBondContact O-N 2.93Å; G381-A383 PolarHBondContact O-N 2.86Å; G381-H437 WeakPolarHBondContact O-CA 3.39Å; G381-H437 VanDerWaalsContact O-CB 3.3Å; G381-H437 WeakPolarHBondContact O-CB 3.29Å; G381-H437 PolarHBondContact O-ND1 3.14Å
382	M	88.8	Confident	81.9	Confident	62 Å²	62	43.2 Å²	43.2	31%	0.305	20%	0.204	S	C	.	.			trans	-64.3	126.6	171.8	-67.9	-62	-60.9	0	0	109.5	C377 C380 Y384 R440	C377-M382 WeakPolarHBondContact CB-O 3.42Å; C377-M382 PolarHBondContact N-O 3.36Å; C380-M382 PolarHBondContact O-N 3.13Å; C380-M382 VanDerWaalsContact O-N 3.14Å; C380-M382 VanDerWaalsContact SG-CB 3.59Å; C380-M382 VanDerWaalsContact SG-CG 3.59Å; M382-Y384 HydrophobicContact CB-CE2 3.81Å; M382-R440 HydrophobicContact SD-CB 3.79Å; M382-R440 HydrophobicContact SD-CG 4.31Å
383	A	83.9	Confident	82.5	Confident	5 Å²	5	40.7 Å²	40.7	4%	0.041	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	148.7	178.4	0	0	0	0	0	111	L373 F375 G381 V426	L373-A383 HydrophobicContact CB-CB 3.78Å; L373-A383 WeakPolarHBondContact O-CB 3.3Å; F375-A383 WeakPolarHBondContact O-CA 3.4Å; G381-A383 PolarHBondContact O-N 2.86Å; A383-V426 HydrophobicContact CB-CG1 4.31Å
384	Y	81.9	Confident	82.4	Confident	50 Å²	50	37.8 Å²	37.8	20%	0.196	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.7	-170.1	-71.4	-81.3	0	0	0	112.1	L373 V374 F375 M382 L386 A389 L390 H393	L373-Y384 CarbonylContact C-O 3.35Å; V374-Y384 PolarHBondContact N-O 3.39Å; F375-Y384 WeakPolarHBondContact CB-O 3.09Å; F375-Y384 PolarHBondContact N-O 3Å; F375-Y384 PolarHBondContact O-N 2.85Å; M382-Y384 HydrophobicContact CB-CE2 3.81Å; Y384-L386 VanDerWaalsContact C-N 3.29Å; Y384-L386 PolarHBondContact O-N 2.83Å; Y384-A389 HydrophobicContact CD1-CB 3.78Å; Y384-A389 HydrophobicContact CG-CB 4.16Å; Y384-L390 HydrophobicContact CD2-CB 4.2Å; Y384-L390 HydrophobicContact CD2-CD1 3.99Å; Y384-L390 HydrophobicContact CG-CB 4.47Å; Y384-H393 HydrophobicContact CD2-CB 4.29Å; Y384-H393 HydrophobicContact CE1-CB 4.3Å; Y384-H393 HydrophobicContact CE2-CB 3.54Å; Y384-H393 AromaticContact CE2-CD2 3.79Å; Y384-H393 AromaticContact CE2-CG 3.39Å; Y384-H393 AromaticContact CE2-ND1 3.79Å; Y384-H393 AromaticContact CZ-CG 3.63Å; Y384-H393 AromaticContact CZ-ND1 3.73Å; Y384-H393 PolarHBondContact OH-ND1 2.93Å
385	P	77.7	Confident	82.5	Confident	39 Å²	39	40.6 Å²	40.6	25%	0.253	20%	0.202	S	C	.	.	S	Bend	trans	-77.1	-17.1	-178.7	32.7	-36.4	0	0	0	113	L365 G371 E372 L373	L365-P385 WeakPolarHBondContact CD2-O 3.5Å; G371-P385 WeakPolarHBondContact O-CB 3.28Å; E372-P385 WeakPolarHBondContact O-CA 3.42Å; L373-P385 HydrophobicContact CD2-CB 4.25Å; L373-P385 HydrophobicContact CD2-CG 4.37Å
386	L	81.2	Confident	82.5	Confident	27 Å²	27	45.9 Å²	45.9	14%	0.141	23%	0.231	C	C	.	.	S	Bend	trans	-135.9	142	-177.3	-66.4	179.4	0	0	0	111.1	D362 Q366 Y384 I388 A389 L390	D362-L386 HydrophobicContact CB-CD2 3.65Å; Q366-L386 HydrophobicContact CG-CD2 4.24Å; Y384-L386 VanDerWaalsContact C-N 3.29Å; Y384-L386 PolarHBondContact O-N 2.83Å; L386-I388 HydrophobicContact CB-CG2 3.99Å; L386-I388 HydrophobicContact CD1-CG2 4.24Å; L386-I388 PolarHBondContact O-N 3.34Å; L386-A389 HydrophobicContact CB-CB 4.31Å; L386-A389 WeakPolarHBondContact O-CA 3.2Å; L386-A389 WeakPolarHBondContact O-CB 3.38Å; L386-A389 PolarHBondContact O-N 2.84Å; L386-L390 PolarHBondContact O-N 3.22Å; L386-L390 VanDerWaalsContact O-N 3.13Å
387	Y	79	Confident	82.3	Confident	51 Å²	51	51.6 Å²	51.6	20%	0.2	26%	0.256	C	S	.	.	H	α-helix	trans	-57.2	-35.1	175.7	173.7	-92.7	0	0	0	112.3	F375 A389 L390 R391 F402	F375-Y387 HydrophobicContact CE1-CD2 4.44Å; Y387-A389 VanDerWaalsContact C-N 3.33Å; Y387-L390 PolarHBondContact O-N 3.01Å; Y387-R391 PolarHBondContact O-N 2.82Å; Y387-R391 PolarHBondContact OH-NH2 2.93Å; Y387-F402 HydrophobicContact CD2-CZ 4.14Å; Y387-F402 AromaticContact CE2-CE1 3.66Å; Y387-F402 HydrophobicContact CE2-CE1 3.66Å; Y387-F402 HydrophobicContact CE2-CE2 4.25Å; Y387-F402 AromaticContact CE2-CZ 3.25Å; Y387-F402 HydrophobicContact CE2-CZ 3.25Å; Y387-F402 AromaticContact CZ-CE1 3.67Å; Y387-F402 AromaticContact CZ-CZ 3.46Å; Y387-F402 VanDerWaalsContact CZ-CZ 3.46Å; Y387-F402 WeakPolarHBondContact OH-CE1 3.39Å; Y387-F402 VanDerWaalsContact OH-CZ 3.3Å; Y387-F402 WeakPolarHBondContact OH-CZ 3.38Å
388	I	79.5	Confident	81.9	Confident	81 Å²	81	53.6 Å²	53.6	42%	0.415	27%	0.265	S	S	.	.	H	α-helix	trans	-69.3	-28.8	175.6	-170.7	58.6	0	0	0	112.8	L386 R392	L386-I388 HydrophobicContact CB-CG2 3.99Å; L386-I388 HydrophobicContact CD1-CG2 4.24Å; L386-I388 PolarHBondContact O-N 3.34Å; I388-R392 WeakPolarHBondContact O-CG 3.46Å; I388-R392 PolarHBondContact O-N 3.27Å
389	A	78.8	Confident	81.1	Confident	27 Å²	27	60.3 Å²	60.3	22%	0.223	30%	0.301	C	S	.	.	H	α-helix	trans	-73.7	-43.1	174.7	0	0	0	0	0	111.2	Y384 L386 Y387 R391 R392 H393	Y384-A389 HydrophobicContact CD1-CB 3.78Å; Y384-A389 HydrophobicContact CG-CB 4.16Å; L386-A389 HydrophobicContact CB-CB 4.31Å; L386-A389 WeakPolarHBondContact O-CA 3.2Å; L386-A389 WeakPolarHBondContact O-CB 3.38Å; L386-A389 PolarHBondContact O-N 2.84Å; Y387-A389 VanDerWaalsContact C-N 3.33Å; A389-R391 VanDerWaalsContact C-N 3.31Å; A389-R391 PolarHBondContact O-N 2.74Å; A389-R392 PolarHBondContact O-N 3.06Å; A389-H393 WeakPolarHBondContact O-CB 3.41Å; A389-H393 PolarHBondContact O-N 3.36Å
390	L	81.7	Confident	80	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-58.2	-42.4	170.4	177.5	63.9	0	0	0	111.5	F375 P376 C377 Y384 L386 Y387 H393 A394 F402 V405	F375-L390 HydrophobicContact CB-CB 4Å; F375-L390 HydrophobicContact CB-CD2 3.94Å; P376-L390 WeakPolarHBondContact O-CD2 3.49Å; C377-L390 HydrophobicContact CB-CD1 3.79Å; Y384-L390 HydrophobicContact CD2-CB 4.2Å; Y384-L390 HydrophobicContact CD2-CD1 3.99Å; Y384-L390 HydrophobicContact CG-CB 4.47Å; L386-L390 PolarHBondContact O-N 3.22Å; L386-L390 VanDerWaalsContact O-N 3.13Å; Y387-L390 PolarHBondContact O-N 3.01Å; L390-H393 WeakPolarHBondContact O-CB 3.47Å; L390-H393 PolarHBondContact O-N 3.17Å; L390-A394 PolarHBondContact O-N 2.92Å; L390-F402 HydrophobicContact CG-CE2 4.47Å; L390-V405 HydrophobicContact CD1-CG1 3.8Å; L390-V405 HydrophobicContact CG-CG1 4.33Å
391	R	81	Confident	79	Confident	118 Å²	118	65.8 Å²	65.8	45%	0.445	34%	0.335	S	S	.	.	H	α-helix	trans	-64.6	-40.4	176.5	-176.4	-178	-73.1	-158.2	-5.7	113	Y387 A389 H393 A394 A395 F402	Y387-R391 PolarHBondContact O-N 2.82Å; Y387-R391 PolarHBondContact OH-NH2 2.93Å; A389-R391 VanDerWaalsContact C-N 3.31Å; A389-R391 PolarHBondContact O-N 2.74Å; R391-H393 VanDerWaalsContact C-N 3.34Å; R391-A394 PolarHBondContact O-N 3.45Å; R391-A395 PolarHBondContact O-N 2.83Å; R391-F402 HydrophobicContact CB-CD2 3.86Å; R391-F402 HydrophobicContact CB-CE2 3.7Å; R391-F402 HydrophobicContact CG-CD2 3.79Å; R391-F402 HydrophobicContact CG-CE2 4.14Å
392	R	80.4	Confident	78.3	Confident	177 Å²	177	67.3 Å²	67.3	67%	0.668	34%	0.341	S	S	*	.	H	α-helix	trans	-63.4	-41.9	173.4	-79.5	177.2	171.7	-176.4	-2.8	111.1	I388 A389 A395 L396	I388-R392 WeakPolarHBondContact O-CG 3.46Å; I388-R392 PolarHBondContact O-N 3.27Å; A389-R392 PolarHBondContact O-N 3.06Å; R392-A395 PolarHBondContact O-N 3.15Å; R392-L396 VanDerWaalsContact O-CB 3.29Å; R392-L396 WeakPolarHBondContact O-CB 3.33Å; R392-L396 WeakPolarHBondContact O-CD1 3.41Å; R392-L396 WeakPolarHBondContact O-CG 3.39Å; R392-L396 PolarHBondContact O-N 3.24Å; R392-L396 VanDerWaalsContact O-N 3.15Å
393	H	81.7	Confident	77.5	Confident	12 Å²	12	68.8 Å²	68.8	6%	0.056	35%	0.35	C	S	.	.	H	α-helix	trans	-59.4	-49	174.7	164.5	79.6	0	0	0	112	C377 C380 Y384 A389 L390 R391 A395 L396 Q397 H398	C377-H393 WeakPolarHBondContact CB-NE2 3.15Å; C377-H393 PolarHBondContact SG-NE2 2.93Å; C380-H393 PolarHBondContact SG-CE1 2.95Å; C380-H393 PolarHBondContact SG-NE2 3.41Å; Y384-H393 HydrophobicContact CD2-CB 4.29Å; Y384-H393 HydrophobicContact CE1-CB 4.3Å; Y384-H393 HydrophobicContact CE2-CB 3.54Å; Y384-H393 AromaticContact CE2-CD2 3.79Å; Y384-H393 AromaticContact CE2-CG 3.39Å; Y384-H393 AromaticContact CE2-ND1 3.79Å; Y384-H393 AromaticContact CZ-CG 3.63Å; Y384-H393 AromaticContact CZ-ND1 3.73Å; Y384-H393 PolarHBondContact OH-ND1 2.93Å; A389-H393 WeakPolarHBondContact O-CB 3.41Å; A389-H393 PolarHBondContact O-N 3.36Å; L390-H393 WeakPolarHBondContact O-CB 3.47Å; L390-H393 PolarHBondContact O-N 3.17Å; R391-H393 VanDerWaalsContact C-N 3.34Å; H393-A395 PolarHBondContact O-N 3.34Å; H393-L396 PolarHBondContact O-N 3.27Å; H393-L396 VanDerWaalsContact O-N 3.1Å; H393-Q397 WeakPolarHBondContact O-CB 3.47Å; H393-Q397 PolarHBondContact O-N 3.45Å; H393-H398 AromaticContact CE1-CD2 3.89Å; H393-H398 AromaticContact CE1-NE2 3.59Å; H393-H398 AromaticContact NE2-CD2 3.29Å; H393-H398 PolarHBondContact NE2-CD2 3.36Å; H393-H398 VanDerWaalsContact NE2-CD2 3.29Å; H393-H398 AromaticContact NE2-NE2 3.18Å; H393-H398 PolarHBondContact NE2-NE2 3.07Å; H393-H398 VanDerWaalsContact NE2-NE2 3.18Å
394	A	80.1	Confident	77.1	Confident	3 Å²	3	70.8 Å²	70.8	3%	0.025	36%	0.362	C	S	.	.	H	α-helix	trans	-49.6	-54.6	176.2	0	0	0	0	0	112	L390 R391 L396 H398 D399 F402 V405	L390-A394 PolarHBondContact O-N 2.92Å; R391-A394 PolarHBondContact O-N 3.45Å; A394-L396 VanDerWaalsContact C-N 3.26Å; A394-L396 PolarHBondContact O-N 2.9Å; A394-H398 PolarHBondContact O-N 3.31Å; A394-H398 VanDerWaalsContact O-N 3.17Å; A394-D399 PolarHBondContact O-N 3.36Å; A394-F402 HydrophobicContact CB-CD2 4.28Å; A394-V405 HydrophobicContact CB-CB 3.84Å; A394-V405 HydrophobicContact CB-CG1 3.71Å; A394-V405 HydrophobicContact CB-CG2 3.75Å
395	A	77.4	Confident	76.8	Confident	72 Å²	72	68.4 Å²	68.4	60%	0.595	35%	0.352	S	S	*	.	H	α-helix	trans	-72.2	-10.1	-177.2	0	0	0	0	0	115	R391 R392 H393	R391-A395 PolarHBondContact O-N 2.83Å; R392-A395 PolarHBondContact O-N 3.15Å; H393-A395 PolarHBondContact O-N 3.34Å
396	L	79.9	Confident	76.6	Confident	135 Å²	135	71.2 Å²	71.2	71%	0.707	36%	0.358	S	S	*	.	H	α-helix	trans	-116.3	-15.5	-177.5	-68.1	174.5	0	0	0	114.1	R392 H393 A394	R392-L396 VanDerWaalsContact O-CB 3.29Å; R392-L396 WeakPolarHBondContact O-CB 3.33Å; R392-L396 WeakPolarHBondContact O-CD1 3.41Å; R392-L396 WeakPolarHBondContact O-CG 3.39Å; R392-L396 PolarHBondContact O-N 3.24Å; R392-L396 VanDerWaalsContact O-N 3.15Å; H393-L396 PolarHBondContact O-N 3.27Å; H393-L396 VanDerWaalsContact O-N 3.1Å; A394-L396 VanDerWaalsContact C-N 3.26Å; A394-L396 PolarHBondContact O-N 2.9Å
397	Q	81.1	Confident	76.3	Confident	140 Å²	140	74.7 Å²	74.7	65%	0.654	37%	0.37	S	S	*	.	H	α-helix	trans	-126.4	-19.2	-173.3	-62	-68.6	-92.3	0	0	114.2	H393	H393-Q397 WeakPolarHBondContact O-CB 3.47Å; H393-Q397 PolarHBondContact O-N 3.45Å
398	H	79.5	Confident	75.7	Confident	43 Å²	43	72.5 Å²	72.5	20%	0.199	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-18.2	-173.4	-71.2	-56	0	0	0	115.3	C377 I379 C380 H393 A394 S400 V405	C377-H398 VanDerWaalsContact SG-CD2 3.59Å; C377-H398 PolarHBondContact SG-NE2 3.27Å; C377-H398 VanDerWaalsContact SG-NE2 3.36Å; I379-H398 HydrophobicContact CD1-CB 4.21Å; I379-H398 VanDerWaalsContact CG2-CE1 3.49Å; I379-H398 WeakPolarHBondContact CG2-CE1 3.23Å; I379-H398 WeakPolarHBondContact CG2-ND1 3.48Å; C380-H398 PolarHBondContact SG-NE2 2.98Å; C380-H398 VanDerWaalsContact SG-NE2 3.43Å; H393-H398 AromaticContact CE1-CD2 3.89Å; H393-H398 AromaticContact CE1-NE2 3.59Å; H393-H398 AromaticContact NE2-CD2 3.29Å; H393-H398 PolarHBondContact NE2-CD2 3.36Å; H393-H398 VanDerWaalsContact NE2-CD2 3.29Å; H393-H398 AromaticContact NE2-NE2 3.18Å; H393-H398 PolarHBondContact NE2-NE2 3.07Å; H393-H398 VanDerWaalsContact NE2-NE2 3.18Å; A394-H398 PolarHBondContact O-N 3.31Å; A394-H398 VanDerWaalsContact O-N 3.17Å; H398-S400 PolarHBondContact O-N 2.83Å; H398-S400 PolarHBondContact O-OG 3.4Å; H398-V405 HydrophobicContact CB-CG2 3.97Å
399	D	70.7	Confident	75.3	Confident	158 Å²	158	71.2 Å²	71.2	85%	0.845	36%	0.36	S	S	*	.			trans	46.2	32.9	-176.2	-150.6	24.1	0	0	0	112.5	A394	A394-D399 PolarHBondContact O-N 3.36Å
400	S	61.6	Low	74.7	Confident	50 Å²	50	74 Å²	74	35%	0.35	38%	0.377	S	S	.	.	S	Bend	trans	-119.9	155.6	-170.6	-63.6	0	0	0	0	109.4	H398 F402	H398-S400 PolarHBondContact O-N 2.83Å; H398-S400 PolarHBondContact O-OG 3.4Å; S400-F402 PolarHBondContact O-N 2.77Å
401	D	67.4	Low	74.2	Confident	130 Å²	130	80.8 Å²	80.8	70%	0.695	41%	0.414	S	S	*	.			trans	-56.8	141	175.4	-83.9	-48.8	0	0	0	111.4	D403 T404 V405	D401-D403 PolarHBondContact O-N 3.3Å; D401-D403 VanDerWaalsContact O-N 3.15Å; D401-T404 WeakPolarHBondContact O-CB 3.31Å; D401-T404 PolarHBondContact O-N 3.42Å; D401-V405 PolarHBondContact O-N 2.72Å
402	F	71.9	Confident	73.6	Confident	32 Å²	32	77.4 Å²	77.4	14%	0.14	40%	0.404	C	S	.	.	H	α-helix	trans	-57.5	-35.2	-175.3	172.6	-91.6	0	0	0	111.9	Y387 L390 R391 A394 S400 V405 R406	Y387-F402 HydrophobicContact CD2-CZ 4.14Å; Y387-F402 AromaticContact CE2-CE1 3.66Å; Y387-F402 HydrophobicContact CE2-CE1 3.66Å; Y387-F402 HydrophobicContact CE2-CE2 4.25Å; Y387-F402 AromaticContact CE2-CZ 3.25Å; Y387-F402 HydrophobicContact CE2-CZ 3.25Å; Y387-F402 AromaticContact CZ-CE1 3.67Å; Y387-F402 AromaticContact CZ-CZ 3.46Å; Y387-F402 VanDerWaalsContact CZ-CZ 3.46Å; Y387-F402 WeakPolarHBondContact OH-CE1 3.39Å; Y387-F402 VanDerWaalsContact OH-CZ 3.3Å; Y387-F402 WeakPolarHBondContact OH-CZ 3.38Å; L390-F402 HydrophobicContact CG-CE2 4.47Å; R391-F402 HydrophobicContact CB-CD2 3.86Å; R391-F402 HydrophobicContact CB-CE2 3.7Å; R391-F402 HydrophobicContact CG-CD2 3.79Å; R391-F402 HydrophobicContact CG-CE2 4.14Å; A394-F402 HydrophobicContact CB-CD2 4.28Å; S400-F402 PolarHBondContact O-N 2.77Å; F402-V405 PolarHBondContact O-N 2.63Å; F402-R406 HydrophobicContact CE1-CB 4.02Å; F402-R406 HydrophobicContact CE1-CG 4.43Å; F402-R406 HydrophobicContact CZ-CB 4.12Å; F402-R406 HydrophobicContact CZ-CG 4.5Å; F402-R406 WeakPolarHBondContact O-CB 3.42Å; F402-R406 PolarHBondContact O-N 3.11Å; F402-R406 VanDerWaalsContact O-N 3.11Å
403	D	72.2	Confident	72.8	Confident	93 Å²	93	73.7 Å²	73.7	50%	0.497	40%	0.397	S	S	.	.	H	α-helix	trans	-72.8	-31.3	180	-64.4	-49.5	0	0	0	111.5	D401 V405 R406 Y407	D401-D403 PolarHBondContact O-N 3.3Å; D401-D403 VanDerWaalsContact O-N 3.15Å; D403-V405 VanDerWaalsContact C-N 3.35Å; D403-V405 PolarHBondContact O-N 2.87Å; D403-R406 PolarHBondContact O-N 3.15Å; D403-Y407 HydrophobicContact CB-CD2 3.91Å; D403-Y407 HydrophobicContact CB-CE2 4.2Å; D403-Y407 WeakPolarHBondContact O-CB 3.42Å; D403-Y407 WeakPolarHBondContact O-CD2 3.37Å; D403-Y407 PolarHBondContact O-N 3.15Å; D403-Y407 WeakPolarHBondContact OD1-CE2 3.34Å
404	T	74.1	Confident	72.1	Confident	46 Å²	46	82.4 Å²	82.4	28%	0.282	44%	0.438	S	S	.	.	H	α-helix	trans	-64.7	-37.2	169.5	-45.1	0	0	0	0	112.2	I379 D401 R406 G408	I379-T404 HydrophobicContact CD1-CG2 4.17Å; D401-T404 WeakPolarHBondContact O-CB 3.31Å; D401-T404 PolarHBondContact O-N 3.42Å; T404-R406 VanDerWaalsContact C-N 3.28Å; T404-R406 PolarHBondContact O-N 3.34Å; T404-G408 WeakPolarHBondContact CA-O 3.43Å; T404-G408 CarbonylContact O-C 3.47Å; T404-G408 WeakPolarHBondContact O-CA 3.49Å; T404-G408 PolarHBondContact O-N 2.72Å
405	V	75.9	Confident	71.7	Confident	0 Å²	0	85 Å²	85	0%	0	46%	0.455	C	S	.	.	H	α-helix	trans	-70.6	-25.2	175.2	165.5	0	0	0	0	112.4	C377 Q378 I379 L390 A394 H398 D401 F402 D403	C377-V405 HydrophobicContact CB-CG1 4.21Å; Q378-V405 PolarHBondContact N-O 3.4Å; I379-V405 HydrophobicContact CD1-CG2 3.58Å; I379-V405 HydrophobicContact CG1-CG2 4.22Å; L390-V405 HydrophobicContact CD1-CG1 3.8Å; L390-V405 HydrophobicContact CG-CG1 4.33Å; A394-V405 HydrophobicContact CB-CB 3.84Å; A394-V405 HydrophobicContact CB-CG1 3.71Å; A394-V405 HydrophobicContact CB-CG2 3.75Å; H398-V405 HydrophobicContact CB-CG2 3.97Å; D401-V405 PolarHBondContact O-N 2.72Å; F402-V405 PolarHBondContact O-N 2.63Å; D403-V405 VanDerWaalsContact C-N 3.35Å; D403-V405 PolarHBondContact O-N 2.87Å
406	R	74.2	Confident	71.6	Confident	99 Å²	99	90 Å²	90	37%	0.374	47%	0.466	S	S	.	.	H	α-helix	trans	-96.1	-34.9	-176.7	-178	175.9	178.1	-153.6	-4.1	114.4	Q378 F402 D403 T404	Q378-R406 VanDerWaalsContact CG-O 3.29Å; Q378-R406 WeakPolarHBondContact CG-O 3.29Å; F402-R406 HydrophobicContact CE1-CB 4.02Å; F402-R406 HydrophobicContact CE1-CG 4.43Å; F402-R406 HydrophobicContact CZ-CB 4.12Å; F402-R406 HydrophobicContact CZ-CG 4.5Å; F402-R406 WeakPolarHBondContact O-CB 3.42Å; F402-R406 PolarHBondContact O-N 3.11Å; F402-R406 VanDerWaalsContact O-N 3.11Å; D403-R406 PolarHBondContact O-N 3.15Å; T404-R406 VanDerWaalsContact C-N 3.28Å; T404-R406 PolarHBondContact O-N 3.34Å
407	Y	74.8	Confident	71.6	Confident	100 Å²	100	87.6 Å²	87.6	39%	0.392	46%	0.459	S	S	.	.	H	α-helix	trans	-126.1	18.9	-172.8	-48.3	-77.3	0	0	0	112.4	D403 L413 Q429	D403-Y407 HydrophobicContact CB-CD2 3.91Å; D403-Y407 HydrophobicContact CB-CE2 4.2Å; D403-Y407 WeakPolarHBondContact O-CB 3.42Å; D403-Y407 WeakPolarHBondContact O-CD2 3.37Å; D403-Y407 PolarHBondContact O-N 3.15Å; D403-Y407 WeakPolarHBondContact OD1-CE2 3.34Å; Y407-L413 WeakPolarHBondContact O-CD2 3.37Å; Y407-Q429 VanDerWaalsContact O-CD 3.32Å; Y407-Q429 PolarHBondContact O-NE2 3.37Å; Y407-Q429 PolarHBondContact O-OE1 2.84Å
408	G	66.2	Low	71.7	Confident	4 Å²	4	84.1 Å²	84.1	4%	0.041	44%	0.444	C	S	.	.			trans	70.9	-178.5	176	0	0	0	0	0	114.2	T404	T404-G408 WeakPolarHBondContact CA-O 3.43Å; T404-G408 CarbonylContact O-C 3.47Å; T404-G408 WeakPolarHBondContact O-CA 3.49Å; T404-G408 PolarHBondContact O-N 2.72Å
409	P	70.7	Confident	71.9	Confident	54 Å²	54	87.9 Å²	87.9	35%	0.351	46%	0.462	S	S	.	.	S	Bend	trans	-54	142.4	159.8	-20.2	32.9	0	0	0	110.1	D411 L412	P409-D411 PolarHBondContact O-N 3.35Å; P409-L412 PolarHBondContact O-N 3.12Å
410	S	66.1	Low	72.5	Confident	85 Å²	85	80.4 Å²	80.4	59%	0.594	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-54.8	-31.9	-177.1	-56	0	0	0	0	113.1	L412 L413	S410-L412 PolarHBondContact O-N 2.85Å; S410-L412 VanDerWaalsContact O-N 3.14Å; S410-L413 WeakPolarHBondContact O-CB 3.05Å; S410-L413 WeakPolarHBondContact O-CG 3.48Å; S410-L413 PolarHBondContact O-N 3.44Å; S410-L413 VanDerWaalsContact O-N 3.14Å
411	D	70.9	Confident	73.7	Confident	145 Å²	145	82 Å²	82	78%	0.775	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-63.1	-16.2	179.4	-42.9	-38.7	0	0	0	113.6	P409	P409-D411 PolarHBondContact O-N 3.35Å
412	L	69.1	Low	74.3	Confident	47 Å²	47	80.1 Å²	80.1	25%	0.246	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-108.5	8.1	179.3	-56.3	-176	0	0	0	113.4	P409 S410 E414 C415 Q429 D430	P409-L412 PolarHBondContact O-N 3.12Å; S410-L412 PolarHBondContact O-N 2.85Å; S410-L412 VanDerWaalsContact O-N 3.14Å; L412-E414 PolarHBondContact O-N 3.46Å; L412-C415 PolarHBondContact O-N 3.26Å; L412-Q429 HydrophobicContact CB-CB 4.05Å; L412-Q429 PolarHBondContact O-NE2 3.18Å; L412-D430 HydrophobicContact CD1-CB 3.85Å
413	L	63	Low	74.6	Confident	100 Å²	100	80.2 Å²	80.2	52%	0.524	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-20.9	174.8	-73.1	168.4	0	0	0	113.3	Y407 S410	Y407-L413 WeakPolarHBondContact O-CD2 3.37Å; S410-L413 WeakPolarHBondContact O-CB 3.05Å; S410-L413 WeakPolarHBondContact O-CG 3.48Å; S410-L413 PolarHBondContact O-N 3.44Å; S410-L413 VanDerWaalsContact O-N 3.14Å
414	E	67.3	Low	75.1	Confident	195 Å²	195	81.5 Å²	81.5	91%	0.911	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-5.7	179.5	-57.3	-170	168.5	0	0	113.5	L412	L412-E414 PolarHBondContact O-N 3.46Å
415	C	71.5	Confident	75	Confident	57 Å²	57	82.3 Å²	82.3	39%	0.385	43%	0.427	S	S	.	.	S	Bend	trans	-82.8	142.1	-179.1	-63.4	0	0	0	0	112.6	L412	L412-C415 PolarHBondContact O-N 3.26Å
416	E	74.7	Confident	75.2	Confident	177 Å²	177	82.7 Å²	82.7	83%	0.827	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-66.6	128.9	173.5	-171.8	170.8	-165.7	0	0	110.6	I418	E416-I418 PolarHBondContact O-N 3.38Å
417	P	81	Confident	75.6	Confident	85 Å²	85	79.5 Å²	79.5	55%	0.552	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-63.6	122.1	-177.1	-24.4	34.7	0	0	0	113.4	E419 A427	P417-E419 PolarHBondContact O-N 2.95Å; P417-A427 HydrophobicContact CB-CB 3.75Å
418	I	83.7	Confident	76.1	Confident	66 Å²	66	74.8 Å²	74.8	34%	0.338	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	107.1	179.9	-43.8	173.7	0	0	0	109.3	E416 A427 F428 L434	E416-I418 PolarHBondContact O-N 3.38Å; I418-A427 CarbonylContact O-C 3.56Å; I418-A427 VanDerWaalsContact O-CA 3.27Å; I418-A427 WeakPolarHBondContact O-CA 3.35Å; I418-F428 WeakPolarHBondContact CB-O 3.5Å; I418-F428 PolarHBondContact N-O 2.88Å; I418-F428 PolarHBondContact O-N 3.13Å; I418-L434 HydrophobicContact CB-CD2 4.28Å; I418-L434 HydrophobicContact CG2-CD2 3.55Å
419	E	82.4	Confident	76.9	Confident	123 Å²	123	75.9 Å²	75.9	58%	0.575	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.2	146.4	173.6	-67.1	-175.6	-178.4	0	0	112.6	P417 P421 H424 A427	P417-E419 PolarHBondContact O-N 2.95Å; E419-P421 WeakPolarHBondContact O-CD 3.27Å; E419-H424 IonicContact OE2-ND1 3.1Å; E419-A427 HydrophobicContact CG-CB 4.38Å
420	C	84	Confident	77.6	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	41%	0.405	C	S	.	.			trans	-73.1	122	171.2	176	0	0	0	0	111.5	E422 C423 H424 V426 F428 L434 H437	C420-E422 PolarHBondContact O-N 3.21Å; C420-C423 VanDerWaalsContact CB-SG 3.55Å; C420-H424 WeakPolarHBondContact O-CA 3.47Å; C420-H424 PolarHBondContact O-N 3.42Å; C420-V426 HydrophobicContact CB-CG2 4.13Å; C420-V426 PolarHBondContact N-O 2.89Å; C420-F428 HydrophobicContact CB-CE2 4.44Å; C420-L434 HydrophobicContact CB-CD1 3.79Å; C420-H437 PolarHBondContact SG-CD2 3.42Å; C420-H437 PolarHBondContact SG-NE2 3.38Å; C420-H437 VanDerWaalsContact SG-NE2 3.39Å
421	P	86.1	Confident	78.6	Confident	83 Å²	83	74.1 Å²	74.1	54%	0.539	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-0.2	-175.3	33.4	-38.2	0	0	0	114.7	E419 I438	E419-P421 WeakPolarHBondContact O-CD 3.27Å; P421-I438 HydrophobicContact CG-CD1 4.32Å
422	E	80.3	Confident	79.4	Confident	91 Å²	91	72.5 Å²	72.5	43%	0.425	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-39.7	175.8	-73.7	-165.2	-124.4	0	0	113.6	C420 H442	C420-E422 PolarHBondContact O-N 3.21Å; E422-H442 WeakPolarHBondContact CB-CE1 3.13Å; E422-H442 WeakPolarHBondContact CB-ND1 3.1Å; E422-H442 WeakPolarHBondContact OE1-CB 3.44Å; E422-H442 IonicContact OE1-CG 3.54Å; E422-H442 WeakPolarHBondContact OE2-CB 3.36Å; E422-H442 IonicContact OE2-CG 3.53Å; E422-H442 IonicContact OE2-ND1 3.79Å; E422-H442 PolarHBondContact OE2-ND1 3.21Å
423	C	79.5	Confident	80.3	Confident	34 Å²	34	70.7 Å²	70.7	23%	0.23	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-31.9	176.6	63	0	0	0	0	114.2	C420 L425 H442	C420-C423 VanDerWaalsContact CB-SG 3.55Å; C423-L425 HydrophobicContact CB-CB 4.3Å; C423-L425 HydrophobicContact CB-CD1 4.33Å; C423-L425 HydrophobicContact CB-CG 4.1Å; C423-L425 WeakPolarHBondContact O-CG 3.43Å; C423-L425 PolarHBondContact O-N 3.45Å; C423-H442 PolarHBondContact N-CE1 2.9Å
424	H	81	Confident	81.5	Confident	120 Å²	120	66.6 Å²	66.6	56%	0.556	36%	0.355	S	S	*	.			trans	55	9.6	-166.9	-56.2	-82	0	0	0	115.8	E419 C420	E419-H424 IonicContact OE2-ND1 3.1Å; C420-H424 WeakPolarHBondContact O-CA 3.47Å; C420-H424 PolarHBondContact O-N 3.42Å
425	L	72.8	Confident	82.4	Confident	63 Å²	63	62.9 Å²	62.9	33%	0.33	34%	0.336	S	S	.	.	S	Bend	trans	-89	-12.4	-179.7	-57.7	177.6	0	0	0	114.2	L349 E372 C423	L349-L425 HydrophobicContact CD2-CD2 3.76Å; E372-L425 HydrophobicContact CB-CD1 4.04Å; E372-L425 HydrophobicContact CG-CD1 3.84Å; C423-L425 HydrophobicContact CB-CB 4.3Å; C423-L425 HydrophobicContact CB-CD1 4.33Å; C423-L425 HydrophobicContact CB-CG 4.1Å; C423-L425 WeakPolarHBondContact O-CG 3.43Å; C423-L425 PolarHBondContact O-N 3.45Å
426	V	79.9	Confident	83.2	Confident	9 Å²	9	63.1 Å²	63.1	6%	0.055	33%	0.333	C	S	.	.			trans	-144.5	151.8	-175.9	-69.3	0	0	0	0	111.8	L373 P376 A383 C420 F428	L373-V426 WeakPolarHBondContact O-CG1 3.4Å; P376-V426 HydrophobicContact CB-CB 4.21Å; P376-V426 HydrophobicContact CB-CG1 4.21Å; P376-V426 HydrophobicContact CG-CB 4.12Å; P376-V426 HydrophobicContact CG-CG1 4.1Å; A383-V426 HydrophobicContact CB-CG1 4.31Å; C420-V426 HydrophobicContact CB-CG2 4.13Å; C420-V426 PolarHBondContact N-O 2.89Å; V426-F428 HydrophobicContact CB-CE2 4.29Å; V426-F428 HydrophobicContact CB-CZ 4.34Å; V426-F428 HydrophobicContact CG2-CE2 3.64Å; V426-F428 HydrophobicContact CG2-CZ 3.8Å
427	A	83.4	Confident	83.7	Confident	32 Å²	32	54.8 Å²	54.8	26%	0.264	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.1	174.6	0	0	0	0	0	111.8	Q378 P417 I418 E419	Q378-A427 PolarHBondContact NE2-O 2.76Å; Q378-A427 VanDerWaalsContact NE2-O 3.1Å; P417-A427 HydrophobicContact CB-CB 3.75Å; I418-A427 CarbonylContact O-C 3.56Å; I418-A427 VanDerWaalsContact O-CA 3.27Å; I418-A427 WeakPolarHBondContact O-CA 3.35Å; E419-A427 HydrophobicContact CG-CB 4.38Å
428	F	85.3	Confident	84	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144.5	-175.4	-58.6	-86	0	0	0	111	P376 Q378 I418 C420 V426 V433 L434 H437	P376-F428 HydrophobicContact CB-CD1 4.16Å; P376-F428 HydrophobicContact CB-CE1 3.4Å; P376-F428 HydrophobicContact CB-CZ 3.75Å; P376-F428 HydrophobicContact CG-CE1 4.48Å; Q378-F428 VanDerWaalsContact OE1-CA 3.28Å; I418-F428 WeakPolarHBondContact CB-O 3.5Å; I418-F428 PolarHBondContact N-O 2.88Å; I418-F428 PolarHBondContact O-N 3.13Å; C420-F428 HydrophobicContact CB-CE2 4.44Å; V426-F428 HydrophobicContact CB-CE2 4.29Å; V426-F428 HydrophobicContact CB-CZ 4.34Å; V426-F428 HydrophobicContact CG2-CE2 3.64Å; V426-F428 HydrophobicContact CG2-CZ 3.8Å; F428-V433 HydrophobicContact CD1-CB 4.41Å; F428-V433 HydrophobicContact CD1-CG1 3.66Å; F428-V433 HydrophobicContact CE1-CG1 4.16Å; F428-L434 HydrophobicContact CB-CB 4.21Å; F428-L434 HydrophobicContact CD2-CB 3.92Å; F428-L434 HydrophobicContact CD2-CD1 3.73Å; F428-L434 HydrophobicContact CD2-CG 4.38Å; F428-L434 HydrophobicContact CE2-CD1 3.94Å; F428-L434 HydrophobicContact CG-CB 4.23Å; F428-H437 HydrophobicContact CE1-CB 4.09Å; F428-H437 HydrophobicContact CE2-CB 3.7Å; F428-H437 AromaticContact CE2-CD2 3.66Å; F428-H437 AromaticContact CE2-CG 3.52Å; F428-H437 HydrophobicContact CZ-CB 3.42Å; F428-H437 VanDerWaalsContact CZ-CB 3.42Å; F428-H437 AromaticContact CZ-CD2 3.92Å; F428-H437 AromaticContact CZ-CG 3.32Å; F428-H437 AromaticContact CZ-ND1 3.51Å
429	Q	83.1	Confident	84	Confident	27 Å²	27	53.7 Å²	53.7	13%	0.126	28%	0.284	C	S	.	.	S	Bend	trans	-79	-26.2	174.3	-67.6	151	-73.7	0	0	112.3	Y407 L412	Y407-Q429 VanDerWaalsContact O-CD 3.32Å; Y407-Q429 PolarHBondContact O-NE2 3.37Å; Y407-Q429 PolarHBondContact O-OE1 2.84Å; L412-Q429 HydrophobicContact CB-CB 4.05Å; L412-Q429 PolarHBondContact O-NE2 3.18Å
430	D	83.9	Confident	84.1	Confident	48 Å²	48	53.1 Å²	53.1	26%	0.257	28%	0.277	S	S	.	.			trans	-110.2	128.9	-179.5	-175.5	-0.3	0	0	0	111.6	L412 L432 V433 L434	L412-D430 HydrophobicContact CD1-CB 3.85Å; D430-L432 VanDerWaalsContact C-N 3.27Å; D430-L432 PolarHBondContact O-N 3.35Å; D430-L432 WeakPolarHBondContact OD1-CB 3.44Å; D430-L432 PolarHBondContact OD1-N 3.24Å; D430-V433 HydrophobicContact CB-CB 4.07Å; D430-V433 HydrophobicContact CB-CG2 3.77Å; D430-V433 PolarHBondContact O-N 3.42Å; D430-V433 VanDerWaalsContact O-N 3.15Å; D430-L434 PolarHBondContact O-N 3.43Å
431	S	88.4	Confident	84	Confident	55 Å²	55	54.4 Å²	54.4	39%	0.385	28%	0.284	S	S	.	.	H	α-helix	trans	-60.9	-32.7	172.8	-172.3	0	0	0	0	112.7	L434 K435	S431-L434 PolarHBondContact O-N 3.21Å; S431-K435 VanDerWaalsContact O-CG 3.31Å; S431-K435 WeakPolarHBondContact O-CG 3.29Å; S431-K435 PolarHBondContact O-N 3.06Å
432	L	86.8	Confident	84	Confident	111 Å²	111	51.1 Å²	51.1	58%	0.581	26%	0.262	S	S	*	.	H	α-helix	trans	-66.1	-40.7	174.3	-58.1	174.2	0	0	0	110.9	D430 K435 L436	D430-L432 VanDerWaalsContact C-N 3.27Å; D430-L432 PolarHBondContact O-N 3.35Å; D430-L432 WeakPolarHBondContact OD1-CB 3.44Å; D430-L432 PolarHBondContact OD1-N 3.24Å; L432-K435 WeakPolarHBondContact O-CB 3.5Å; L432-K435 PolarHBondContact O-N 3.4Å; L432-L436 WeakPolarHBondContact O-CG 3.29Å; L432-L436 PolarHBondContact O-N 3.04Å
433	V	88.2	Confident	83.4	Confident	9 Å²	9	51 Å²	51	6%	0.055	26%	0.26	C	S	.	.	H	α-helix	trans	-70.8	-35.3	178.2	-177.4	0	0	0	0	111.2	C377 F428 D430 L436 H437	C377-V433 WeakPolarHBondContact O-CG1 3.46Å; F428-V433 HydrophobicContact CD1-CB 4.41Å; F428-V433 HydrophobicContact CD1-CG1 3.66Å; F428-V433 HydrophobicContact CE1-CG1 4.16Å; D430-V433 HydrophobicContact CB-CB 4.07Å; D430-V433 HydrophobicContact CB-CG2 3.77Å; D430-V433 PolarHBondContact O-N 3.42Å; D430-V433 VanDerWaalsContact O-N 3.15Å; V433-L436 WeakPolarHBondContact O-CB 3.41Å; V433-L436 PolarHBondContact O-N 3.47Å; V433-H437 PolarHBondContact O-N 3.01Å
434	L	87.6	Confident	82	Confident	14 Å²	14	55.6 Å²	55.6	7%	0.073	28%	0.276	C	S	.	.	H	α-helix	trans	-61.9	-42.9	167.9	173.2	58	0	0	0	112.2	I418 C420 F428 D430 S431 L436 H437 I438	I418-L434 HydrophobicContact CB-CD2 4.28Å; I418-L434 HydrophobicContact CG2-CD2 3.55Å; C420-L434 HydrophobicContact CB-CD1 3.79Å; F428-L434 HydrophobicContact CB-CB 4.21Å; F428-L434 HydrophobicContact CD2-CB 3.92Å; F428-L434 HydrophobicContact CD2-CD1 3.73Å; F428-L434 HydrophobicContact CD2-CG 4.38Å; F428-L434 HydrophobicContact CE2-CD1 3.94Å; F428-L434 HydrophobicContact CG-CB 4.23Å; D430-L434 PolarHBondContact O-N 3.43Å; S431-L434 PolarHBondContact O-N 3.21Å; L434-L436 VanDerWaalsContact C-N 3.29Å; L434-L436 PolarHBondContact O-N 3.14Å; L434-H437 WeakPolarHBondContact O-CB 3.25Å; L434-H437 PolarHBondContact O-N 3.28Å; L434-H437 VanDerWaalsContact O-N 3.15Å; L434-I438 HydrophobicContact CD1-CD1 3.94Å; L434-I438 HydrophobicContact CD1-CG1 4.11Å; L434-I438 HydrophobicContact CG-CD1 4.05Å; L434-I438 WeakPolarHBondContact O-CG1 3.38Å; L434-I438 PolarHBondContact O-N 2.88Å
435	K	87	Confident	80.5	Confident	117 Å²	117	55.4 Å²	55.4	51%	0.509	28%	0.278	S	S	.	.	H	α-helix	trans	-61.3	-36.9	173.7	-72.3	169.3	-175.2	179.1	0	111.9	S431 L432 N439	S431-K435 VanDerWaalsContact O-CG 3.31Å; S431-K435 WeakPolarHBondContact O-CG 3.29Å; S431-K435 PolarHBondContact O-N 3.06Å; L432-K435 WeakPolarHBondContact O-CB 3.5Å; L432-K435 PolarHBondContact O-N 3.4Å; K435-N439 WeakPolarHBondContact O-CB 3.35Å; K435-N439 PolarHBondContact O-N 3.12Å; K435-N439 VanDerWaalsContact O-N 3.08Å; K435-N439 PolarHBondContact O-ND2 3.08Å
436	L	87.8	Confident	79.1	Confident	62 Å²	62	59.2 Å²	59.2	33%	0.325	29%	0.294	S	S	.	.	H	α-helix	trans	-67.5	-39	173.1	-69.2	173.6	0	0	0	112.1	C380 L432 V433 L434 N439 R440	C380-L436 WeakPolarHBondContact O-CB 3.32Å; L432-L436 WeakPolarHBondContact O-CG 3.29Å; L432-L436 PolarHBondContact O-N 3.04Å; V433-L436 WeakPolarHBondContact O-CB 3.41Å; V433-L436 PolarHBondContact O-N 3.47Å; L434-L436 VanDerWaalsContact C-N 3.29Å; L434-L436 PolarHBondContact O-N 3.14Å; L436-N439 PolarHBondContact O-N 2.56Å; L436-R440 VanDerWaalsContact O-CB 3.25Å; L436-R440 WeakPolarHBondContact O-CB 3.29Å; L436-R440 VanDerWaalsContact O-CG 3.23Å; L436-R440 WeakPolarHBondContact O-CG 3.43Å; L436-R440 PolarHBondContact O-N 3Å
437	H	85.1	Confident	77.6	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.009	32%	0.322	C	S	.	.	H	α-helix	trans	-60.5	-51.8	174.9	171.1	74.8	0	0	0	111.8	G381 C420 F428 V433 L434 N439 R440 V441 H442	G381-H437 WeakPolarHBondContact O-CA 3.39Å; G381-H437 VanDerWaalsContact O-CB 3.3Å; G381-H437 WeakPolarHBondContact O-CB 3.29Å; G381-H437 PolarHBondContact O-ND1 3.14Å; C420-H437 PolarHBondContact SG-CD2 3.42Å; C420-H437 PolarHBondContact SG-NE2 3.38Å; C420-H437 VanDerWaalsContact SG-NE2 3.39Å; F428-H437 HydrophobicContact CE1-CB 4.09Å; F428-H437 HydrophobicContact CE2-CB 3.7Å; F428-H437 AromaticContact CE2-CD2 3.66Å; F428-H437 AromaticContact CE2-CG 3.52Å; F428-H437 HydrophobicContact CZ-CB 3.42Å; F428-H437 VanDerWaalsContact CZ-CB 3.42Å; F428-H437 AromaticContact CZ-CD2 3.92Å; F428-H437 AromaticContact CZ-CG 3.32Å; F428-H437 AromaticContact CZ-ND1 3.51Å; V433-H437 PolarHBondContact O-N 3.01Å; L434-H437 WeakPolarHBondContact O-CB 3.25Å; L434-H437 PolarHBondContact O-N 3.28Å; L434-H437 VanDerWaalsContact O-N 3.15Å; H437-N439 VanDerWaalsContact C-N 3.35Å; H437-N439 PolarHBondContact O-N 2.73Å; H437-R440 PolarHBondContact O-N 3.07Å; H437-R440 VanDerWaalsContact O-N 3.12Å; H437-V441 WeakPolarHBondContact O-CB 3.39Å; H437-V441 PolarHBondContact O-N 2.96Å; H437-H442 AromaticContact NE2-CD2 3.67Å; H437-H442 AromaticContact NE2-NE2 3.58Å
438	I	87.2	Confident	75.4	Confident	46 Å²	46	70.4 Å²	70.4	24%	0.236	35%	0.345	C	S	.	.	I	π-helix	trans	-56.4	-49.2	176.6	-67.9	165.2	0	0	0	110.3	P421 L434 R440 H442 K443	P421-I438 HydrophobicContact CG-CD1 4.32Å; L434-I438 HydrophobicContact CD1-CD1 3.94Å; L434-I438 HydrophobicContact CD1-CG1 4.11Å; L434-I438 HydrophobicContact CG-CD1 4.05Å; L434-I438 WeakPolarHBondContact O-CG1 3.38Å; L434-I438 PolarHBondContact O-N 2.88Å; I438-R440 VanDerWaalsContact C-N 3.26Å; I438-R440 PolarHBondContact O-N 3.27Å; I438-H442 WeakPolarHBondContact O-CB 3.48Å; I438-H442 PolarHBondContact O-N 3.43Å; I438-H442 VanDerWaalsContact O-N 3.11Å; I438-K443 PolarHBondContact O-N 3.14Å; I438-K443 VanDerWaalsContact O-N 3.07Å
439	N	84.7	Confident	73	Confident	81 Å²	81	77.4 Å²	77.4	43%	0.433	38%	0.381	S	S	.	.	I	π-helix	trans	-65.5	-22	179.3	-82.8	-67.6	0	0	0	114.7	K435 L436 H437 K443	K435-N439 WeakPolarHBondContact O-CB 3.35Å; K435-N439 PolarHBondContact O-N 3.12Å; K435-N439 VanDerWaalsContact O-N 3.08Å; K435-N439 PolarHBondContact O-ND2 3.08Å; L436-N439 PolarHBondContact O-N 2.56Å; H437-N439 VanDerWaalsContact C-N 3.35Å; H437-N439 PolarHBondContact O-N 2.73Å; N439-K443 WeakPolarHBondContact O-CB 3.15Å; N439-K443 WeakPolarHBondContact OD1-CD 3.26Å; N439-K443 PolarHBondContact OD1-NZ 3.49Å
440	R	83.7	Confident	70.5	Confident	112 Å²	112	82.4 Å²	82.4	42%	0.423	41%	0.414	S	S	.	.	I	π-helix	trans	-104	-38.7	-175	-72.3	173.7	169.7	148.4	2.6	114.2	C380 M382 L436 H437 I438	C380-R440 PolarHBondContact O-NH1 3.38Å; M382-R440 HydrophobicContact SD-CB 3.79Å; M382-R440 HydrophobicContact SD-CG 4.31Å; L436-R440 VanDerWaalsContact O-CB 3.25Å; L436-R440 WeakPolarHBondContact O-CB 3.29Å; L436-R440 VanDerWaalsContact O-CG 3.23Å; L436-R440 WeakPolarHBondContact O-CG 3.43Å; L436-R440 PolarHBondContact O-N 3Å; H437-R440 PolarHBondContact O-N 3.07Å; H437-R440 VanDerWaalsContact O-N 3.12Å; I438-R440 VanDerWaalsContact C-N 3.26Å; I438-R440 PolarHBondContact O-N 3.27Å
441	V	83.1	Confident	68.2	Low	27 Å²	27	85.4 Å²	85.4	16%	0.164	44%	0.436	C	S	.	.	I	π-helix	trans	-93.1	-47.3	-178	179.9	0	0	0	0	110.7	L373 H437	L373-V441 HydrophobicContact CD1-CG1 4.03Å; H437-V441 WeakPolarHBondContact O-CB 3.39Å; H437-V441 PolarHBondContact O-N 2.96Å
442	H	85	Confident	65.6	Low	14 Å²	14	90 Å²	90	7%	0.065	46%	0.462	C	S	.	.	I	π-helix	trans	-86.7	-42.1	-170.7	-75.4	-88.9	0	0	0	113.8	E422 C423 H437 I438 K444 L445	E422-H442 WeakPolarHBondContact CB-CE1 3.13Å; E422-H442 WeakPolarHBondContact CB-ND1 3.1Å; E422-H442 WeakPolarHBondContact OE1-CB 3.44Å; E422-H442 IonicContact OE1-CG 3.54Å; E422-H442 WeakPolarHBondContact OE2-CB 3.36Å; E422-H442 IonicContact OE2-CG 3.53Å; E422-H442 IonicContact OE2-ND1 3.79Å; E422-H442 PolarHBondContact OE2-ND1 3.21Å; C423-H442 PolarHBondContact N-CE1 2.9Å; H437-H442 AromaticContact NE2-CD2 3.67Å; H437-H442 AromaticContact NE2-NE2 3.58Å; I438-H442 WeakPolarHBondContact O-CB 3.48Å; I438-H442 PolarHBondContact O-N 3.43Å; I438-H442 VanDerWaalsContact O-N 3.11Å; H442-K444 PolarHBondContact O-N 3.45Å; H442-L445 PolarHBondContact O-N 2.72Å
443	K	68.2	Low	63.3	Low	89 Å²	89	89.2 Å²	89.2	39%	0.387	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-22.4	179.3	-155.8	172	-171.7	173.2	0	114.1	I438 N439	I438-K443 PolarHBondContact O-N 3.14Å; I438-K443 VanDerWaalsContact O-N 3.07Å; N439-K443 WeakPolarHBondContact O-CB 3.15Å; N439-K443 WeakPolarHBondContact OD1-CD 3.26Å; N439-K443 PolarHBondContact OD1-NZ 3.49Å
444	K	50.6	Low	60.8	Low	130 Å²	130	95.6 Å²	95.6	57%	0.565	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-21	175.3	-77.8	-167.4	171.4	-170.6	0	115	H442 N743	H442-K444 PolarHBondContact O-N 3.45Å; K444-N743 PolarHBondContact NZ-O 2.12Å
445	L	48.1	Very low	58.5	Low	115 Å²	115	101.7 Å²	101.7	60%	0.602	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-77.1	-27.9	-176.7	-78.1	165	0	0	0	113	H442 Q447	H442-L445 PolarHBondContact O-N 2.72Å; L445-Q447 VanDerWaalsContact C-N 3.29Å; L445-Q447 PolarHBondContact O-N 2.65Å
446	Q	44.8	Very low	56.4	Low	143 Å²	143	100.4 Å²	100.4	67%	0.668	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-77.8	-9.4	-176.2	-58.5	-177.5	12.7	0	0	114
447	Q	46.9	Very low	53.9	Low	134 Å²	134	106.3 Å²	106.3	63%	0.626	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-91.8	-1.5	-175.3	-66.2	-175.3	-15.7	0	0	114.7	L445	L445-Q447 VanDerWaalsContact C-N 3.29Å; L445-Q447 PolarHBondContact O-N 2.65Å
448	N	38.5	Very low	51.4	Low	143 Å²	143	111.9 Å²	111.9	77%	0.765	60%	0.6	S	S	*	*	S	Bend	trans	-102.4	26	-176	-76	-19.9	0	0	0	114.3
449	I	34.4	Very low	48.9	Very low	146 Å²	146	115.9 Å²	115.9	75%	0.749	63%	0.626	S	S	*	*			trans	-129.8	98.6	178.3	-54.5	179.8	0	0	0	110.8
450	T	29.4	Very low	46.5	Very low	133 Å²	133	120 Å²	120	82%	0.816	64%	0.643	S	S	*	*			trans	179.7	166.4	165.6	13.3	0	0	0	0	108.1
451	P	36.1	Very low	44.1	Very low	110 Å²	110	121.2 Å²	121.2	71%	0.714	66%	0.658	S	S	*	*			cis	-128.2	169.6	-2.9	39.4	-24.4	0	0	0	115.4
452	T	35.2	Very low	41.8	Very low	152 Å²	152	126.5 Å²	126.5	93%	0.933	68%	0.684	S	S	*	*			trans	-157.6	165	140.7	6.2	0	0	0	0	109
453	S	37.4	Very low	39.4	Very low	94 Å²	94	134 Å²	134	66%	0.657	72%	0.719	S	S	*	*			trans	-118.1	162.2	-157.9	55	0	0	0	0	115.2
454	N	36.1	Very low	37.7	Very low	144 Å²	144	135.7 Å²	135.7	77%	0.77	74%	0.736	S	S	*	*			trans	76.4	140.7	173.9	-46.4	-10.8	0	0	0	113.3
455	D	38.5	Very low	36.6	Very low	141 Å²	141	134.5 Å²	134.5	75%	0.754	75%	0.745	S	S	*	*			cis	-148.6	151	30.9	-131	-45.8	0	0	0	116.2
456	S	43.1	Very low	35.9	Very low	90 Å²	90	134.5 Å²	134.5	63%	0.629	75%	0.754	S	S	*	*			trans	26.4	121.4	149	-60.5	0	0	0	0	125.1
457	Q	36.7	Very low	35.4	Very low	186 Å²	186	137 Å²	137	87%	0.869	76%	0.763	S	S	*	*			trans	80.2	135.1	138	-66.3	-171.9	-94.1	0	0	122.6
458	P	31.8	Very low	35.1	Very low	119 Å²	119	136.4 Å²	136.4	77%	0.773	77%	0.77	S	S	*	*			trans	-111.1	155.2	173	40.4	-32.1	0	0	0	114.7
459	V	35.3	Very low	35	Very low	130 Å²	130	134.7 Å²	134.7	79%	0.788	77%	0.767	S	S	*	*			trans	-153.8	126.1	146.1	-117.7	0	0	0	0	111.8
460	E	34.6	Very low	35	Very low	168 Å²	168	137.6 Å²	137.6	79%	0.785	77%	0.774	S	S	*	*			trans	39.2	129.9	137.5	-68.4	169.1	167.8	0	0	123.1
461	D	32.5	Very low	35.2	Very low	138 Å²	138	138.9 Å²	138.9	74%	0.738	78%	0.775	S	S	*	*				109.4	130.1	125.1	-85.7	14.1	0	0	0	124.8
462	I	35.1	Very low	35	Very low	138 Å²	138	137.9 Å²	137.9	71%	0.708	77%	0.77	S	S	*	*			trans	82.8	90.7	151.6	-60.3	158.9	0	0	0	119.9
463	E	33.6	Very low	35.1	Very low	171 Å²	171	139.6 Å²	139.6	80%	0.799	77%	0.765	S	S	*	*				61.1	123.7	123.5	-62.7	-164.6	120.9	0	0	125.2
464	V	32.8	Very low	34.9	Very low	124 Å²	124	140.5 Å²	140.5	75%	0.752	77%	0.766	S	S	*	*				71.1	94.4	126.8	-175.8	0	0	0	0	120.7
465	S	28.6	Very low	34.8	Very low	106 Å²	106	143.2 Å²	143.2	74%	0.741	77%	0.771	S	S	*	*				72.4	132.6	120.8	-155	0	0	0	0	124.3
466	S	31.6	Very low	34.6	Very low	115 Å²	115	141.3 Å²	141.3	80%	0.804	77%	0.769	S	S	*	*			trans	97.6	125.8	140	74.2	0	0	0	0	123.4
467	K	34.9	Very low	34.2	Very low	195 Å²	195	142.2 Å²	142.2	85%	0.848	77%	0.771	S	S	*	*			trans	-53.4	-179	167.2	-71.8	168.8	173.8	169.4	0	115.8
468	P	40.4	Very low	34.1	Very low	121 Å²	121	140.5 Å²	140.5	79%	0.786	77%	0.768	S	S	*	*			cis	-115.8	-97.7	-2.6	25.5	-1	0	0	0	112.5
469	P	36.8	Very low	34.3	Very low	107 Å²	107	139.6 Å²	139.6	70%	0.695	76%	0.762	S	S	*	*			cis	-112.7	-163.5	-12.4	42.9	-28.9	0	0	0	113.8
470	K	35.1	Very low	34.3	Very low	207 Å²	207	138.3 Å²	138.3	90%	0.9	76%	0.759	S	S	*	*			trans	-140.5	159.5	165.2	-71.2	-179.5	-178.4	174.7	0	110.3
471	I	32.1	Very low	34.3	Very low	161 Å²	161	136.3 Å²	136.3	83%	0.826	75%	0.752	S	S	*	*			trans	-145.2	134.4	177.8	-68.6	-179.8	0	0	0	107
472	S	33.7	Very low	34.6	Very low	88 Å²	88	136.2 Å²	136.2	62%	0.615	75%	0.747	S	S	*	*			cis	-151.6	-164.6	-9.7	53.6	0	0	0	0	107.1
473	K	35.7	Very low	34.7	Very low	189 Å²	189	137.9 Å²	137.9	82%	0.822	75%	0.749	S	S	*	*			cis	-160.4	-179.3	21.1	-127.5	155.1	-160.9	168.7	0	105.7
474	T	34.1	Very low	34.8	Very low	113 Å²	113	137.4 Å²	137.4	69%	0.693	75%	0.745	S	S	*	*			cis	-146.9	146.8	18.2	40	0	0	0	0	110.3
475	K	34.4	Very low	35	Very low	200 Å²	200	136.6 Å²	136.6	87%	0.87	74%	0.74	S	S	*	*			trans	63	142.1	166.7	-63.4	176.6	179.3	-180	0	115.5
476	S	34.6	Very low	35.3	Very low	102 Å²	102	136 Å²	136	71%	0.713	74%	0.735	S	S	*	*			cis	-174.5	147.7	-6.7	-110.6	0	0	0	0	109.2
477	T	33.8	Very low	35.4	Very low	109 Å²	109	135.8 Å²	135.8	67%	0.669	73%	0.73	S	S	*	*			cis	-160.5	152.1	-13.4	-25.1	0	0	0	0	109.9
478	N	34.1	Very low	35.4	Very low	149 Å²	149	134.8 Å²	134.8	80%	0.797	73%	0.726	S	S	*	*			trans	70.4	154.9	154.4	-83.3	-5.3	0	0	0	121
479	P	36.4	Very low	35	Very low	101 Å²	101	134.5 Å²	134.5	66%	0.656	72%	0.721	S	S	*	*			cis	-137.4	167.4	-17.8	37	-19.3	0	0	0	116.8
480	S	34.9	Very low	34.8	Very low	102 Å²	102	134.6 Å²	134.6	71%	0.713	72%	0.72	S	S	*	*			trans	77.8	142.4	146.1	-70.9	0	0	0	0	121.1
481	I	35.5	Very low	34.8	Very low	127 Å²	127	135.1 Å²	135.1	65%	0.651	72%	0.717	S	S	*	*			cis	-160.4	131.5	-9.3	-119.4	169.7	0	0	0	112.6
482	Q	39.1	Very low	34.9	Very low	135 Å²	135	137.5 Å²	137.5	63%	0.631	72%	0.715	S	S	*	*			trans	57.8	161.1	148.4	-62.1	174.8	73.7	0	0	120
483	K	35.9	Very low	35.1	Very low	174 Å²	174	143.6 Å²	143.6	76%	0.757	73%	0.725	S	S	*	*			cis	-166.5	168.7	-1.6	-112.6	162.1	175.4	156.9	0	107
484	K	37.4	Very low	35.1	Very low	161 Å²	161	139.4 Å²	139.4	70%	0.7	71%	0.711	S	S	*	*			cis	178.6	112.4	-27.6	170.1	-113.4	169.5	-132.8	0	113.1
485	T	35	Very low	35.2	Very low	107 Å²	107	138.2 Å²	138.2	66%	0.656	71%	0.713	S	S	*	*			trans	67.3	169.1	155.5	65.5	0	0	0	0	119.5
486	S	35.7	Very low	35.4	Very low	92 Å²	92	135.2 Å²	135.2	64%	0.643	71%	0.711	S	S	*	*			cis	-162.7	150.3	11.7	-147	0	0	0	0	115.9
487	T	33.4	Very low	35.6	Very low	112 Å²	112	135.6 Å²	135.6	69%	0.687	71%	0.712	S	S	*	*			trans	20.8	158.3	137.1	66.6	0	0	0	0	122.7
488	K	35.6	Very low	35.6	Very low	174 Å²	174	138.1 Å²	138.1	76%	0.757	72%	0.719	S	S	*	*			cis	174.9	140.4	49	-142.2	165.5	178.2	-178.3	0	113.4
489	T	31.5	Very low	35.7	Very low	114 Å²	114	136.4 Å²	136.4	70%	0.699	71%	0.714	S	S	*	*			trans	50	156.6	139.7	57.4	0	0	0	0	123.5
490	T	32.8	Very low	35.4	Very low	109 Å²	109	137.9 Å²	137.9	67%	0.669	72%	0.716	S	S	*	*			cis	-177.2	167.8	-8.9	35.3	0	0	0	0	112.2
491	R	35.8	Very low	35.1	Very low	219 Å²	219	143.1 Å²	143.1	83%	0.826	72%	0.72	S	S	*	*			trans	93.5	118.8	141.3	-85.3	162.2	-174.8	-158	2.2	122.2
492	R	34	Very low	34.7	Very low	210 Å²	210	142.3 Å²	142.3	79%	0.792	73%	0.726	S	S	*	*			trans	70.3	155.1	132.7	-81.4	-176.6	167.6	174.8	-3.6	119.1
493	R	37.6	Very low	34.1	Very low	217 Å²	217	146.8 Å²	146.8	82%	0.819	74%	0.737	S	S	*	*			cis	-107.8	-120.7	15	-80.1	-164.2	64.5	-176.6	-7.4	116.3
494	D	35.5	Very low	33.8	Very low	101 Å²	101	143.4 Å²	143.4	54%	0.54	73%	0.731	S	S	.	*			trans	-161.6	173.1	-147.6	-5.6	-72.4	0	0	0	106
495	A	36.6	Very low	33.6	Very low	87 Å²	87	144 Å²	144	72%	0.719	74%	0.736	S	S	*	*			cis	-169.3	-179	7.8	0	0	0	0	0	107.1
496	T	39.2	Very low	33.4	Very low	137 Å²	137	143.8 Å²	143.8	84%	0.84	74%	0.739	S	S	*	*			cis	-157.4	164.1	3	-4.7	0	0	0	0	109.5
497	P	37.7	Very low	33.2	Very low	111 Å²	111	148.1 Å²	148.1	72%	0.721	75%	0.746	S	S	*	*			trans	-126.7	177.5	-168.7	43.5	-30.6	0	0	0	117.2
498	I	33.7	Very low	33.1	Very low	161 Å²	161	149.4 Å²	149.4	83%	0.826	75%	0.748	S	S	*	*			trans	-140.5	110	165.8	-63.9	-176.7	0	0	0	106.9
499	V	35.8	Very low	32.9	Very low	114 Å²	114	148.7 Å²	148.7	69%	0.691	75%	0.752	S	S	*	*				73.8	132.3	75.8	165	0	0	0	0	112.7
500	N	31	Very low	33.1	Very low	131 Å²	131	151.7 Å²	151.7	70%	0.701	76%	0.755	S	S	*	*			cis	-164.1	145.5	-12.6	-106.4	-20.2	0	0	0	107.3
501	R	28.7	Very low	33.2	Very low	213 Å²	213	152.7 Å²	152.7	80%	0.804	76%	0.764	S	S	*	*				92.6	93.1	62.4	-162.4	-173.1	-168.2	-169.6	6	116.7
502	S	26.9	Very low	33	Very low	109 Å²	109	151 Å²	151	76%	0.762	76%	0.763	S	S	*	*			trans	55.1	128	133.4	-40.9	0	0	0	0	124.6
503	R	26.9	Very low	33.1	Very low	229 Å²	229	147.8 Å²	147.8	86%	0.864	77%	0.766	S	S	*	*			trans	89.3	141.2	132.2	-141.1	-167.1	-175.6	161.6	1.4	122.1
504	T	28.3	Very low	32.7	Very low	104 Å²	104	145.3 Å²	145.3	64%	0.638	76%	0.761	S	S	*	*			trans	82	123.4	147.4	21.7	0	0	0	0	123.6
505	Q	33.6	Very low	32.7	Very low	172 Å²	172	148.4 Å²	148.4	80%	0.804	77%	0.772	S	S	*	*			trans	72	107.6	139.6	-72.7	-177.3	37.3	0	0	124
506	S	30.6	Very low	32.4	Very low	103 Å²	103	152.1 Å²	152.1	72%	0.72	77%	0.772	S	S	*	*				69.3	129.2	113.4	-59.1	0	0	0	0	124.5
507	K	31.8	Very low	31.8	Very low	183 Å²	183	152.3 Å²	152.3	80%	0.796	77%	0.767	S	S	*	*			trans	93.4	120.1	144.6	-77.9	177.8	176.2	177.7	0	121.9
508	I	30.8	Very low	31.4	Very low	140 Å²	140	151.3 Å²	151.3	72%	0.718	76%	0.762	S	S	*	*			trans	71.3	118.6	137.5	-60.1	167.5	0	0	0	115.3
509	N	32.9	Very low	31.1	Very low	158 Å²	158	150.4 Å²	150.4	85%	0.845	76%	0.758	S	S	*	*				-160.9	178.3	61.6	-136.9	-23.8	0	0	0	114.5
510	K	34.2	Very low	30.8	Very low	177 Å²	177	153 Å²	153	77%	0.77	77%	0.766	S	S	*	*			trans	-116.3	162.4	177	-78.3	-171	177.3	-176.5	0	113.2
511	P	36.6	Very low	30.8	Very low	130 Å²	130	150.3 Å²	150.3	84%	0.844	77%	0.769	S	S	*	*				-113.8	-178.9	126.6	-11.6	30.7	0	0	0	115.1
512	K	30.8	Very low	30.8	Very low	185 Å²	185	143.4 Å²	143.4	80%	0.804	76%	0.764	S	S	*	*			trans	-142.9	140.2	-178.3	-45.4	162.5	-176.9	166.3	0	111.7
513	V	35.2	Very low	31.1	Very low	141 Å²	141	147.6 Å²	147.6	86%	0.855	77%	0.772	S	S	*	*			trans	-160.5	132.4	143.5	-178.8	0	0	0	0	105.5
514	K	30.3	Very low	31.4	Very low	166 Å²	166	141 Å²	141	72%	0.722	76%	0.761	S	S	*	*			cis	114	133.4	12.1	-97.1	-161.5	169.1	-166.6	0	114.2
515	H	35.8	Very low	31.8	Very low	166 Å²	166	142.5 Å²	142.5	77%	0.769	77%	0.765	S	S	*	*			trans	81.5	147.1	169.7	-64.7	-69.5	0	0	0	117.5
516	K	30.5	Very low	31.6	Very low	165 Å²	165	141.4 Å²	141.4	72%	0.717	76%	0.763	S	S	*	*			cis	-161.2	156.4	-15.4	-177	-125.8	169.1	-147.7	0	109.9	S518	K516-S518 PolarHBondContact NZ-OG 3.13Å
517	L	26.5	Very low	31.9	Very low	141 Å²	141	143.8 Å²	143.8	74%	0.738	77%	0.767	S	S	*	*			trans	-83.6	156.5	172.5	-66.7	75.1	0	0	0	113.9
518	S	29.5	Very low	31.8	Very low	89 Å²	89	140.1 Å²	140.1	62%	0.622	76%	0.76	S	S	*	*			trans	176.4	130.3	137.6	-82.1	0	0	0	0	107.1	K516	K516-S518 PolarHBondContact NZ-OG 3.13Å
519	I	27.2	Very low	32	Very low	143 Å²	143	140.3 Å²	140.3	73%	0.733	76%	0.762	S	S	*	*			cis	81.9	135.7	49.7	-51.6	160	0	0	0	112.9
520	I	29.6	Very low	32	Very low	169 Å²	169	137.3 Å²	137.3	87%	0.867	75%	0.754	S	S	*	*			trans	73.3	143.1	-176.9	-36.9	-176	0	0	0	112.9
521	G	29.5	Very low	32.1	Very low	74 Å²	74	134.4 Å²	134.4	76%	0.763	75%	0.751	S	S	*	*			cis	124.3	141.8	3.5	0	0	0	0	0	111
522	G	28.5	Very low	31.9	Very low	68 Å²	68	134 Å²	134	70%	0.701	75%	0.746	S	S	*	*			cis	-174.1	-166.4	-1.9	0	0	0	0	0	110.8
523	E	34.1	Very low	32	Very low	197 Å²	197	130.4 Å²	130.4	92%	0.921	74%	0.74	S	S	*	*			trans	62.8	173.3	171.3	-65.8	162.3	174.3	0	0	116.8
524	S	33.2	Very low	31.9	Very low	90 Å²	90	129.3 Å²	129.3	63%	0.629	73%	0.734	S	S	*	*				-158	-165.6	-60.5	61.2	0	0	0	0	109.8
525	D	36.1	Very low	32.1	Very low	136 Å²	136	126.8 Å²	126.8	73%	0.727	73%	0.732	S	S	*	*			trans	76	127	167.2	-48.7	-4.4	0	0	0	116.5
526	I	30.9	Very low	31.9	Very low	148 Å²	148	125 Å²	125	76%	0.759	73%	0.729	S	S	*	*			cis	100.7	146.2	27.5	-63.5	169	0	0	0	113.3
527	L	35.5	Very low	32	Very low	154 Å²	154	122.9 Å²	122.9	81%	0.806	73%	0.725	S	S	*	*			trans	103.7	110.3	-177.9	-59.1	168.8	0	0	0	112.8
528	T	30.4	Very low	32.3	Very low	106 Å²	106	121.9 Å²	121.9	65%	0.65	72%	0.72	S	S	*	*			cis	79.3	100.5	32.8	77.7	0	0	0	0	116.7
529	D	34.6	Very low	32.4	Very low	143 Å²	143	123.8 Å²	123.8	77%	0.765	72%	0.724	S	S	*	*				-174	144.3	117.6	-97.4	-35.8	0	0	0	109.3
530	S	33.5	Very low	32.8	Very low	96 Å²	96	124.1 Å²	124.1	67%	0.671	73%	0.727	S	S	*	*				69.8	136.5	64.6	-42.3	0	0	0	0	111.7
531	T	36.3	Very low	33.1	Very low	116 Å²	116	124.1 Å²	124.1	71%	0.712	72%	0.723	S	S	*	*			cis	-158.2	156.9	28.3	49.1	0	0	0	0	113.9
532	T	31.7	Very low	33.5	Very low	121 Å²	121	125.9 Å²	125.9	74%	0.742	72%	0.721	S	S	*	*			trans	63	157.3	140	56.6	0	0	0	0	121.1
533	T	32.5	Very low	33.7	Very low	109 Å²	109	129.3 Å²	129.3	67%	0.669	72%	0.723	S	S	*	*			cis	-164.5	159.6	3.9	4.7	0	0	0	0	112.4
534	T	32.8	Very low	33.8	Very low	119 Å²	119	125 Å²	125	73%	0.73	71%	0.713	S	S	*	*			trans	61.1	148	148.6	55.2	0	0	0	0	120.5
535	T	34.6	Very low	33.7	Very low	112 Å²	112	126.9 Å²	126.9	69%	0.687	72%	0.72	S	S	*	*			cis	-161	147.7	-3.8	9.2	0	0	0	0	112.9
536	N	33.1	Very low	33.4	Very low	129 Å²	129	125.1 Å²	125.1	69%	0.69	72%	0.718	S	S	*	*			trans	55.8	119.9	137.9	-68.8	9.9	0	0	0	124.4
537	N	32	Very low	33.5	Very low	121 Å²	121	124.8 Å²	124.8	65%	0.647	72%	0.717	S	S	*	*				98.2	111	118	-70	10.5	0	0	0	122.9
538	N	32.5	Very low	33.3	Very low	119 Å²	119	125.3 Å²	125.3	64%	0.636	72%	0.715	S	S	*	*				90.2	101.5	120.4	-63.6	1.7	0	0	0	122.1
539	N	31.8	Very low	33.5	Very low	129 Å²	129	127.3 Å²	127.3	69%	0.69	72%	0.722	S	S	*	*				90.2	134.6	118.7	-61.6	-7.6	0	0	0	121.9
540	N	36.6	Very low	33.6	Very low	151 Å²	151	125.7 Å²	125.7	81%	0.807	72%	0.718	S	S	*	*			trans	78	86.2	148.8	-58.5	-8.6	0	0	0	120.7
541	H	35.5	Very low	33.9	Very low	169 Å²	169	128.4 Å²	128.4	78%	0.782	73%	0.725	S	S	*	*				0.5	145.4	119	-147.1	-111.8	0	0	0	117.3
542	P	36.3	Very low	34.3	Very low	110 Å²	110	125.7 Å²	125.7	71%	0.714	71%	0.711	S	S	*	*			cis	-130.1	172.8	26.1	15.5	10.8	0	0	0	118.4
543	N	33.2	Very low	35.4	Very low	141 Å²	141	122.3 Å²	122.3	75%	0.754	69%	0.691	S	S	*	*			trans	-42.3	170.4	158.3	-102	-22.8	0	0	0	116.8
544	P	37.6	Very low	36.4	Very low	107 Å²	107	125.4 Å²	125.4	70%	0.695	70%	0.699	S	S	*	*			cis	-138.4	-170.4	2.2	27.3	-1.6	0	0	0	116.3
545	V	30.3	Very low	37.1	Very low	128 Å²	128	125.8 Å²	125.8	78%	0.776	69%	0.69	S	S	*	*			trans	100.2	102.5	153.6	-170.9	0	0	0	0	119.5
546	S	30.8	Very low	38.5	Very low	100 Å²	100	125.5 Å²	125.5	70%	0.699	68%	0.681	S	S	*	*			trans	70.1	151.9	141.7	-152.1	0	0	0	0	121.7
547	L	32	Very low	40	Very low	141 Å²	141	127.1 Å²	127.1	74%	0.738	68%	0.677	S	S	*	*			trans	63.9	149.4	176.3	-49.5	175.1	0	0	0	114.3
548	Q	31.5	Very low	41.2	Very low	164 Å²	164	126.3 Å²	126.3	77%	0.766	67%	0.671	S	S	*	*			cis	-167.9	127.1	-25.5	-116.8	174.9	-8.5	0	0	104.2
549	D	35.3	Very low	41.5	Very low	148 Å²	148	125 Å²	125	79%	0.791	66%	0.663	S	S	*	*			trans	178.3	105.5	156.7	-96.2	-27.7	0	0	0	108.4
550	T	35.1	Very low	42.5	Very low	110 Å²	110	123.7 Å²	123.7	68%	0.675	67%	0.665	S	S	*	*				69.1	127.1	84.1	67.8	0	0	0	0	113.9
551	N	41.4	Very low	43.3	Very low	153 Å²	153	120.9 Å²	120.9	82%	0.818	66%	0.657	S	S	*	*			trans	88.3	25	176.7	-52.1	-24.5	0	0	0	120	S553	N551-S553 PolarHBondContact O-N 3.47Å
552	S	43.7	Very low	43.9	Very low	59 Å²	59	117.9 Å²	117.9	41%	0.413	65%	0.645	S	S	.	*			trans	-58.4	128.8	151.8	69.4	0	0	0	0	109.3	R557	S552-R557 PolarHBondContact OG-NE 2.99Å; S552-R557 PolarHBondContact OG-NH2 2.78Å
553	S	55.9	Low	44.5	Very low	49 Å²	49	117.8 Å²	117.8	34%	0.343	64%	0.639	S	S	.	*			trans	-63.5	156.4	175.1	63.2	0	0	0	0	112.2	N551 F555 E556 R557	N551-S553 PolarHBondContact O-N 3.47Å; S553-F555 PolarHBondContact O-N 3.43Å; S553-E556 WeakPolarHBondContact CB-OE2 3.41Å; S553-E556 PolarHBondContact N-OE2 3.17Å; S553-E556 PolarHBondContact O-N 3.34Å; S553-E556 VanDerWaalsContact O-N 3.14Å; S553-E556 VanDerWaalsContact OG-CG 3.3Å; S553-E556 WeakPolarHBondContact OG-CG 3.37Å; S553-E556 PolarHBondContact OG-N 2.84Å; S553-E556 VanDerWaalsContact OG-N 3.13Å; S553-E556 PolarHBondContact OG-OE2 3.22Å; S553-R557 PolarHBondContact O-N 2.96Å
554	E	52.5	Low	45	Very low	175 Å²	175	114.9 Å²	114.9	82%	0.818	64%	0.642	S	S	*	*	H	α-helix	trans	-56.1	-36	171.5	-174.7	174.9	-174.4	0	0	111.1	R557 M558	E554-R557 PolarHBondContact O-N 2.94Å; E554-M558 WeakPolarHBondContact O-CB 3.28Å; E554-M558 PolarHBondContact O-N 3.19Å
555	F	47.6	Very low	45.6	Very low	126 Å²	126	117 Å²	117	55%	0.553	64%	0.641	S	S	*	*	H	α-helix	trans	-62.2	-41.2	175.2	-174.5	-109.7	0	0	0	113.4	S553 M558 L559	S553-F555 PolarHBondContact O-N 3.43Å; F555-M558 HydrophobicContact CD2-CE 3.86Å; F555-M558 HydrophobicContact CE2-CE 4.49Å; F555-M558 PolarHBondContact O-N 3.03Å; F555-L559 HydrophobicContact CD1-CD1 3.92Å; F555-L559 HydrophobicContact CD1-CG 4.43Å; F555-L559 HydrophobicContact CE1-CD1 3.47Å; F555-L559 VanDerWaalsContact CE1-CD1 3.47Å; F555-L559 HydrophobicContact CE1-CG 4.17Å; F555-L559 HydrophobicContact CZ-CD1 3.87Å; F555-L559 HydrophobicContact CZ-CD2 4.36Å; F555-L559 HydrophobicContact CZ-CG 4.19Å; F555-L559 WeakPolarHBondContact O-CB 3.49Å; F555-L559 WeakPolarHBondContact O-CG 3.5Å; F555-L559 PolarHBondContact O-N 3.44Å
556	E	63.3	Low	46.8	Very low	106 Å²	106	113.7 Å²	113.7	50%	0.495	62%	0.623	S	S	.	*	H	α-helix	trans	-69.8	-33.8	176.4	-74.5	161.5	127.3	0	0	112.7	S553 S560	S553-E556 WeakPolarHBondContact CB-OE2 3.41Å; S553-E556 PolarHBondContact N-OE2 3.17Å; S553-E556 PolarHBondContact O-N 3.34Å; S553-E556 VanDerWaalsContact O-N 3.14Å; S553-E556 VanDerWaalsContact OG-CG 3.3Å; S553-E556 WeakPolarHBondContact OG-CG 3.37Å; S553-E556 PolarHBondContact OG-N 2.84Å; S553-E556 VanDerWaalsContact OG-N 3.13Å; S553-E556 PolarHBondContact OG-OE2 3.22Å; E556-S560 WeakPolarHBondContact O-CB 3.33Å; E556-S560 PolarHBondContact O-N 3.28Å; E556-S560 PolarHBondContact O-OG 3.1Å
557	R	64.9	Low	47.9	Very low	163 Å²	163	112.7 Å²	112.7	62%	0.615	62%	0.62	S	S	*	*	H	α-helix	trans	-67.6	-40.1	171.3	-63.7	-171.6	-168.6	168	9	111.3	S552 S553 E554 S560 S561	S552-R557 PolarHBondContact OG-NE 2.99Å; S552-R557 PolarHBondContact OG-NH2 2.78Å; S553-R557 PolarHBondContact O-N 2.96Å; E554-R557 PolarHBondContact O-N 2.94Å; R557-S560 WeakPolarHBondContact CA-OG 3.42Å; R557-S560 PolarHBondContact O-N 3.28Å; R557-S560 PolarHBondContact O-OG 3.17Å; R557-S561 WeakPolarHBondContact O-CB 3.37Å; R557-S561 PolarHBondContact O-N 2.86Å; R557-S561 PolarHBondContact O-OG 2.82Å
558	M	57.4	Low	49.6	Very low	104 Å²	104	110.8 Å²	110.8	51%	0.512	62%	0.617	S	S	.	*	H	α-helix	trans	-62.6	-49	175.2	-171.3	165.3	54.7	0	0	110.8	E554 F555 S560 S561 I562	E554-M558 WeakPolarHBondContact O-CB 3.28Å; E554-M558 PolarHBondContact O-N 3.19Å; F555-M558 HydrophobicContact CD2-CE 3.86Å; F555-M558 HydrophobicContact CE2-CE 4.49Å; F555-M558 PolarHBondContact O-N 3.03Å; M558-S560 PolarHBondContact O-N 3.09Å; M558-S561 PolarHBondContact O-N 2.97Å; M558-S561 VanDerWaalsContact O-N 3.14Å; M558-S561 PolarHBondContact O-OG 2.91Å; M558-I562 WeakPolarHBondContact O-CG1 3.44Å; M558-I562 PolarHBondContact O-N 3.48Å
559	L	38.1	Very low	51.6	Low	91 Å²	91	103.6 Å²	103.6	48%	0.476	59%	0.585	S	S	.	*	H	α-helix	trans	-60.8	-41.2	175.9	-73.3	-179.9	0	0	0	113.4	F555 S561 I562	F555-L559 HydrophobicContact CD1-CD1 3.92Å; F555-L559 HydrophobicContact CD1-CG 4.43Å; F555-L559 HydrophobicContact CE1-CD1 3.47Å; F555-L559 VanDerWaalsContact CE1-CD1 3.47Å; F555-L559 HydrophobicContact CE1-CG 4.17Å; F555-L559 HydrophobicContact CZ-CD1 3.87Å; F555-L559 HydrophobicContact CZ-CD2 4.36Å; F555-L559 HydrophobicContact CZ-CG 4.19Å; F555-L559 WeakPolarHBondContact O-CB 3.49Å; F555-L559 WeakPolarHBondContact O-CG 3.5Å; F555-L559 PolarHBondContact O-N 3.44Å; L559-S561 PolarHBondContact O-N 3.44Å; L559-I562 HydrophobicContact CD2-CD1 4.3Å; L559-I562 PolarHBondContact O-N 3.04Å
560	S	53.5	Low	53.6	Low	102 Å²	102	100 Å²	100	71%	0.713	57%	0.571	S	S	*	*	H	α-helix	trans	-75.7	-10.2	177.2	51.9	0	0	0	0	114.3	E556 R557 M558	E556-S560 WeakPolarHBondContact O-CB 3.33Å; E556-S560 PolarHBondContact O-N 3.28Å; E556-S560 PolarHBondContact O-OG 3.1Å; R557-S560 WeakPolarHBondContact CA-OG 3.42Å; R557-S560 PolarHBondContact O-N 3.28Å; R557-S560 PolarHBondContact O-OG 3.17Å; M558-S560 PolarHBondContact O-N 3.09Å
561	S	54.4	Low	55.7	Low	92 Å²	92	94.8 Å²	94.8	64%	0.643	54%	0.539	S	S	*	.	H	α-helix	trans	-94.7	-8.3	169.9	71.9	0	0	0	0	114.2	R557 M558 L559 D563	R557-S561 WeakPolarHBondContact O-CB 3.37Å; R557-S561 PolarHBondContact O-N 2.86Å; R557-S561 PolarHBondContact O-OG 2.82Å; M558-S561 PolarHBondContact O-N 2.97Å; M558-S561 VanDerWaalsContact O-N 3.14Å; M558-S561 PolarHBondContact O-OG 2.91Å; L559-S561 PolarHBondContact O-N 3.44Å; S561-D563 PolarHBondContact O-N 2.99Å
562	I	46.8	Very low	57.5	Low	106 Å²	106	98.2 Å²	98.2	54%	0.544	54%	0.541	S	S	.	.	S	Bend	trans	-77.5	116.1	172.1	-69.2	168.1	0	0	0	108.2	M558 L559 G564	M558-I562 WeakPolarHBondContact O-CG1 3.44Å; M558-I562 PolarHBondContact O-N 3.48Å; L559-I562 HydrophobicContact CD2-CD1 4.3Å; L559-I562 PolarHBondContact O-N 3.04Å; I562-G564 PolarHBondContact O-N 3.36Å
563	D	48.9	Very low	59.1	Low	109 Å²	109	103.3 Å²	103.3	58%	0.583	55%	0.552	S	S	*	*			trans	-55.2	121.3	172.7	-172.6	9.9	0	0	0	109.6	S561 K565	S561-D563 PolarHBondContact O-N 2.99Å; D563-K565 PolarHBondContact O-N 2.79Å; D563-K565 WeakPolarHBondContact OD2-CE 3.4Å; D563-K565 IonicContact OD2-NZ 3.52Å; D563-K565 PolarHBondContact OD2-NZ 2.93Å
564	G	44.1	Very low	60.4	Low	79 Å²	79	103.4 Å²	103.4	81%	0.814	55%	0.553	S	S	*	*			trans	-71.9	28.8	-158	0	0	0	0	0	116.9	I562	I562-G564 PolarHBondContact O-N 3.36Å
565	K	49.8	Very low	61.7	Low	153 Å²	153	101.8 Å²	101.8	67%	0.665	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-67.1	146.6	174.7	-69.9	155.7	177.6	161.6	0	110.1	D563 A567	D563-K565 PolarHBondContact O-N 2.79Å; D563-K565 WeakPolarHBondContact OD2-CE 3.4Å; D563-K565 IonicContact OD2-NZ 3.52Å; D563-K565 PolarHBondContact OD2-NZ 2.93Å; K565-A567 PolarHBondContact O-N 3.45Å
566	S	56.6	Low	63.1	Low	57 Å²	57	99.3 Å²	99.3	40%	0.399	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-53.7	139.1	168.4	-76.2	0	0	0	0	110.4
567	A	53.4	Low	63.7	Low	79 Å²	79	101.7 Å²	101.7	65%	0.653	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-65.9	136.3	170.6	0	0	0	0	0	109.4	K565	K565-A567 PolarHBondContact O-N 3.45Å
568	P	67.8	Low	64.1	Low	102 Å²	102	95 Å²	95	66%	0.662	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-62	140.8	177.1	27	-34.4	0	0	0	109.7	V578	P568-V578 VanDerWaalsContact CA-O 3.29Å; P568-V578 WeakPolarHBondContact CA-O 3.26Å
569	A	72.5	Confident	64.6	Low	12 Å²	12	94.7 Å²	94.7	10%	0.099	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	146.9	-178.2	0	0	0	0	0	109.5	E577 V578 L581 L584	A569-E577 WeakPolarHBondContact O-CA 3.41Å; A569-V578 HydrophobicContact CB-CG2 4.34Å; A569-V578 PolarHBondContact N-O 3.32Å; A569-V578 VanDerWaalsContact O-CG2 3.29Å; A569-V578 WeakPolarHBondContact O-CG2 3.07Å; A569-V578 PolarHBondContact O-N 3.17Å; A569-L581 HydrophobicContact CB-CD2 3.86Å; A569-L581 HydrophobicContact CB-CG 4.5Å; A569-L584 HydrophobicContact CB-CB 4.01Å; A569-L584 HydrophobicContact CB-CD2 3.72Å; A569-L584 HydrophobicContact CB-CG 4.45Å
570	S	78.1	Confident	66.2	Low	72 Å²	72	90.9 Å²	90.9	50%	0.503	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142.9	-178.1	62.4	0	0	0	0	112.3	I576	S570-I576 WeakPolarHBondContact CA-O 3.39Å
571	C	78.4	Confident	67	Low	1 Å²	1	92.2 Å²	92.2	1%	0.007	50%	0.504	C	S	.	.			trans	-74.1	135.2	-179.4	-176.2	0	0	0	0	112.2	Y573 C574 H575 I576 L584 H587 H592	C571-Y573 VanDerWaalsContact C-N 3.3Å; C571-Y573 PolarHBondContact O-N 3.1Å; C571-Y573 PolarHBondContact SG-N 3.44Å; C571-C574 VanDerWaalsContact CB-SG 3.57Å; C571-H575 VanDerWaalsContact O-CA 3.22Å; C571-H575 WeakPolarHBondContact O-CA 3.06Å; C571-H575 PolarHBondContact O-N 3.48Å; C571-H575 VanDerWaalsContact O-N 3.11Å; C571-H575 PolarHBondContact O-ND1 2.97Å; C571-I576 PolarHBondContact N-O 3.48Å; C571-L584 HydrophobicContact CB-CD1 4.03Å; C571-H587 WeakPolarHBondContact CB-NE2 3.38Å; C571-H587 PolarHBondContact SG-NE2 3.42Å; C571-H592 PolarHBondContact SG-CD2 2.92Å; C571-H592 PolarHBondContact SG-NE2 3.02Å
572	R	80.7	Confident	67.8	Low	226 Å²	226	90.9 Å²	90.9	85%	0.853	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-18.5	175.6	-172.1	169.7	178.1	177.4	0.3	114
573	Y	76	Confident	68.8	Low	166 Å²	166	87.5 Å²	87.5	65%	0.651	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-43.2	-174.3	-62.7	-80.7	0	0	0	113.6	C571 L588 H592	C571-Y573 VanDerWaalsContact C-N 3.3Å; C571-Y573 PolarHBondContact O-N 3.1Å; C571-Y573 PolarHBondContact SG-N 3.44Å; Y573-L588 HydrophobicContact CD2-CD2 3.7Å; Y573-L588 HydrophobicContact CE2-CD2 3.8Å; Y573-H592 HydrophobicContact CD2-CB 3.94Å; Y573-H592 AromaticContact CD2-CD2 3.96Å; Y573-H592 AromaticContact CD2-CG 3.93Å; Y573-H592 HydrophobicContact CE2-CB 4.4Å; Y573-H592 HydrophobicContact CG-CB 4.34Å
574	C	82.7	Confident	69.9	Low	51 Å²	51	83.5 Å²	83.5	35%	0.345	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-10.5	-178.9	69.1	0	0	0	0	114.7	C571 I576 H587 H592	C571-C574 VanDerWaalsContact CB-SG 3.57Å; C574-I576 VanDerWaalsContact C-N 3.27Å; C574-I576 PolarHBondContact O-N 2.96Å; C574-I576 VanDerWaalsContact SG-CG1 3.59Å; C574-I576 PolarHBondContact SG-N 3.23Å; C574-I576 VanDerWaalsContact SG-N 3.43Å; C574-H587 PolarHBondContact SG-CE1 2.92Å; C574-H587 PolarHBondContact SG-NE2 3.07Å; C574-H592 PolarHBondContact SG-NE2 3.49Å
575	H	79.6	Confident	71.3	Confident	141 Å²	141	84.8 Å²	84.8	65%	0.653	43%	0.431	S	S	*	.			trans	62.1	21.9	-176.5	-51.2	-44.8	0	0	0	116.4	C571	C571-H575 VanDerWaalsContact O-CA 3.22Å; C571-H575 WeakPolarHBondContact O-CA 3.06Å; C571-H575 PolarHBondContact O-N 3.48Å; C571-H575 VanDerWaalsContact O-N 3.11Å; C571-H575 PolarHBondContact O-ND1 2.97Å
576	I	77.6	Confident	72.2	Confident	73 Å²	73	77.6 Å²	77.6	37%	0.374	40%	0.4	S	S	.	.			trans	-62.3	133.5	162.4	-68	174.6	0	0	0	109.3	S570 C571 C574 V578	S570-I576 WeakPolarHBondContact CA-O 3.39Å; C571-I576 PolarHBondContact N-O 3.48Å; C574-I576 VanDerWaalsContact C-N 3.27Å; C574-I576 PolarHBondContact O-N 2.96Å; C574-I576 VanDerWaalsContact SG-CG1 3.59Å; C574-I576 PolarHBondContact SG-N 3.23Å; C574-I576 VanDerWaalsContact SG-N 3.43Å; I576-V578 HydrophobicContact CG2-CG1 4.06Å
577	E	77.1	Confident	72.8	Confident	157 Å²	157	75.3 Å²	75.3	73%	0.734	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	141.6	169.7	-60.8	-175.1	159.5	0	0	109.8	A569	A569-E577 WeakPolarHBondContact O-CA 3.41Å
578	V	73.6	Confident	73.6	Confident	23 Å²	23	74 Å²	74	14%	0.139	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	155.4	-178.1	-67.5	0	0	0	0	111.2	P568 A569 I576 N580 E583 L584	P568-V578 VanDerWaalsContact CA-O 3.29Å; P568-V578 WeakPolarHBondContact CA-O 3.26Å; A569-V578 HydrophobicContact CB-CG2 4.34Å; A569-V578 PolarHBondContact N-O 3.32Å; A569-V578 VanDerWaalsContact O-CG2 3.29Å; A569-V578 WeakPolarHBondContact O-CG2 3.07Å; A569-V578 PolarHBondContact O-N 3.17Å; I576-V578 HydrophobicContact CG2-CG1 4.06Å; V578-N580 PolarHBondContact O-N 3.04Å; V578-N580 VanDerWaalsContact O-N 3.13Å; V578-E583 HydrophobicContact CB-CB 3.84Å; V578-E583 HydrophobicContact CG1-CB 4.39Å; V578-E583 HydrophobicContact CG2-CB 4.1Å; V578-L584 HydrophobicContact CG2-CB 3.73Å
579	D	67.5	Low	73.6	Confident	97 Å²	97	70.4 Å²	70.4	52%	0.519	34%	0.339	S	S	.	.	S	Bend	trans	-64.7	-24.1	-167.9	-70.3	-11.8	0	0	0	113	E583 R756	D579-E583 WeakPolarHBondContact CB-OE2 3.39Å; D579-E583 PolarHBondContact N-OE2 3.37Å; D579-E583 VanDerWaalsContact N-OE2 3.11Å; D579-R756 IonicContact OD2-NH2 3.8Å
580	N	70.9	Confident	73.2	Confident	10 Å²	10	72.9 Å²	72.9	5%	0.053	35%	0.351	C	S	.	.	S	Bend	trans	-161.6	169	-173	59.5	81.3	0	0	0	113.9	V578 K582 E583 L584	V578-N580 PolarHBondContact O-N 3.04Å; V578-N580 VanDerWaalsContact O-N 3.13Å; N580-K582 VanDerWaalsContact C-N 3.32Å; N580-K582 PolarHBondContact O-N 3.5Å; N580-K582 WeakPolarHBondContact OD1-CA 3.28Å; N580-K582 WeakPolarHBondContact OD1-CB 2.9Å; N580-K582 PolarHBondContact OD1-N 2.92Å; N580-E583 PolarHBondContact ND2-OE1 3.25Å; N580-E583 PolarHBondContact O-N 3.09Å; N580-E583 PolarHBondContact OD1-N 3.38Å; N580-L584 PolarHBondContact O-N 3.04Å
581	L	71.3	Confident	72.7	Confident	131 Å²	131	74.6 Å²	74.6	69%	0.686	35%	0.351	S	S	*	.	H	α-helix	trans	-66.2	-24	179.5	-72.2	172.8	0	0	0	114.8	A569 L584 H585	A569-L581 HydrophobicContact CB-CD2 3.86Å; A569-L581 HydrophobicContact CB-CG 4.5Å; L581-L584 HydrophobicContact CD2-CD2 4.32Å; L581-L584 PolarHBondContact O-N 3.38Å; L581-H585 WeakPolarHBondContact O-CB 3.49Å; L581-H585 PolarHBondContact O-N 3.26Å
582	K	69.5	Low	72.3	Confident	64 Å²	64	77.2 Å²	77.2	28%	0.278	36%	0.363	S	S	.	.	H	α-helix	trans	-72.2	-41.2	174.4	-65.2	-170.1	174.5	-166.2	0	110.6	N580 L584 H585 L586 D730 V749	N580-K582 VanDerWaalsContact C-N 3.32Å; N580-K582 PolarHBondContact O-N 3.5Å; N580-K582 WeakPolarHBondContact OD1-CA 3.28Å; N580-K582 WeakPolarHBondContact OD1-CB 2.9Å; N580-K582 PolarHBondContact OD1-N 2.92Å; K582-L584 VanDerWaalsContact C-N 3.34Å; K582-H585 PolarHBondContact O-N 3.46Å; K582-L586 WeakPolarHBondContact O-CG 3.32Å; K582-L586 PolarHBondContact O-N 3.14Å; K582-D730 PolarHBondContact NZ-O 3.44Å; K582-D730 IonicContact NZ-OD1 3.67Å; K582-D730 PolarHBondContact NZ-OD1 3.43Å; K582-D730 IonicContact NZ-OD2 3.19Å; K582-D730 PolarHBondContact NZ-OD2 2.89Å; K582-V749 HydrophobicContact CB-CG1 3.89Å
583	E	68.1	Low	71.5	Confident	34 Å²	34	70.9 Å²	70.9	16%	0.159	35%	0.345	C	S	.	.	H	α-helix	trans	-63.8	-37.8	171.3	-72.3	169.6	-153.8	0	0	111.8	V578 D579 N580 L586 H587 V749	V578-E583 HydrophobicContact CB-CB 3.84Å; V578-E583 HydrophobicContact CG1-CB 4.39Å; V578-E583 HydrophobicContact CG2-CB 4.1Å; D579-E583 WeakPolarHBondContact CB-OE2 3.39Å; D579-E583 PolarHBondContact N-OE2 3.37Å; D579-E583 VanDerWaalsContact N-OE2 3.11Å; N580-E583 PolarHBondContact ND2-OE1 3.25Å; N580-E583 PolarHBondContact O-N 3.09Å; N580-E583 PolarHBondContact OD1-N 3.38Å; E583-L586 PolarHBondContact O-N 2.71Å; E583-H587 VanDerWaalsContact O-CB 3.23Å; E583-H587 WeakPolarHBondContact O-CB 3.25Å; E583-H587 PolarHBondContact O-N 3.27Å; E583-V749 HydrophobicContact CG-CB 3.75Å; E583-V749 HydrophobicContact CG-CG1 4.24Å; E583-V749 HydrophobicContact CG-CG2 3.94Å
584	L	73.7	Confident	70.1	Confident	25 Å²	25	68.4 Å²	68.4	13%	0.131	34%	0.343	C	S	.	.	H	α-helix	trans	-66.3	-40.4	174.2	179.3	58.5	0	0	0	111.8	A569 C571 V578 N580 L581 K582 H587 L588	A569-L584 HydrophobicContact CB-CB 4.01Å; A569-L584 HydrophobicContact CB-CD2 3.72Å; A569-L584 HydrophobicContact CB-CG 4.45Å; C571-L584 HydrophobicContact CB-CD1 4.03Å; V578-L584 HydrophobicContact CG2-CB 3.73Å; N580-L584 PolarHBondContact O-N 3.04Å; L581-L584 HydrophobicContact CD2-CD2 4.32Å; L581-L584 PolarHBondContact O-N 3.38Å; K582-L584 VanDerWaalsContact C-N 3.34Å; L584-H587 PolarHBondContact O-N 2.73Å; L584-L588 HydrophobicContact CD1-CD1 4.14Å; L584-L588 HydrophobicContact CD1-CG 4.13Å; L584-L588 HydrophobicContact CG-CD1 4Å; L584-L588 HydrophobicContact CG-CG 4.47Å; L584-L588 WeakPolarHBondContact O-CB 3.38Å; L584-L588 WeakPolarHBondContact O-CD1 3.38Å; L584-L588 VanDerWaalsContact O-CG 3.23Å; L584-L588 WeakPolarHBondContact O-CG 3.43Å; L584-L588 PolarHBondContact O-N 3.36Å
585	H	71.5	Confident	68.5	Low	106 Å²	106	72.1 Å²	72.1	49%	0.491	37%	0.366	S	S	.	.	H	α-helix	trans	-61.1	-46.2	175.7	-168.5	91.3	0	0	0	111.4	L581 K582 L588 E589	L581-H585 WeakPolarHBondContact O-CB 3.49Å; L581-H585 PolarHBondContact O-N 3.26Å; K582-H585 PolarHBondContact O-N 3.46Å; H585-L588 PolarHBondContact O-N 3.38Å; H585-E589 WeakPolarHBondContact O-CB 3.46Å; H585-E589 PolarHBondContact O-N 3.42Å
586	L	69.5	Low	66.9	Low	2 Å²	2	70.1 Å²	70.1	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-63.9	-48.1	175.7	-72.3	176.7	0	0	0	111.8	K582 E583 L588 E589 L590 F612 I736 A738 V749	K582-L586 WeakPolarHBondContact O-CG 3.32Å; K582-L586 PolarHBondContact O-N 3.14Å; E583-L586 PolarHBondContact O-N 2.71Å; L586-L588 VanDerWaalsContact C-N 3.25Å; L586-L588 PolarHBondContact O-N 3.19Å; L586-E589 CarbonylContact O-C 3.55Å; L586-E589 WeakPolarHBondContact O-CA 3.07Å; L586-E589 PolarHBondContact O-N 3.27Å; L586-L590 HydrophobicContact CB-CD1 4.44Å; L586-L590 WeakPolarHBondContact O-CB 3.32Å; L586-L590 WeakPolarHBondContact O-CG 3.45Å; L586-L590 PolarHBondContact O-N 3.22Å; L586-F612 HydrophobicContact CD1-CE2 4.43Å; L586-F612 HydrophobicContact CD1-CZ 4.15Å; L586-F612 HydrophobicContact CD2-CD1 3.71Å; L586-F612 HydrophobicContact CD2-CD2 3.94Å; L586-F612 HydrophobicContact CD2-CE1 3.48Å; L586-F612 VanDerWaalsContact CD2-CE1 3.48Å; L586-F612 HydrophobicContact CD2-CE2 3.7Å; L586-F612 HydrophobicContact CD2-CG 3.94Å; L586-F612 HydrophobicContact CD2-CZ 3.46Å; L586-F612 VanDerWaalsContact CD2-CZ 3.46Å; L586-F612 HydrophobicContact CG-CZ 4.46Å; L586-I736 HydrophobicContact CD1-CG2 4.05Å; L586-I736 HydrophobicContact CD2-CD1 4.07Å; L586-I736 HydrophobicContact CD2-CG2 4.37Å; L586-I736 HydrophobicContact CG-CD1 4.31Å; L586-I736 HydrophobicContact CG-CG2 4.34Å; L586-A738 HydrophobicContact CD1-CB 4.43Å; L586-V749 HydrophobicContact CD1-CB 4.32Å; L586-V749 HydrophobicContact CD1-CG1 3.67Å; L586-V749 HydrophobicContact CD1-CG2 3.56Å
587	H	69.7	Low	65.4	Low	10 Å²	10	71.3 Å²	71.3	5%	0.046	37%	0.368	C	S	.	.	H	α-helix	trans	-55.4	-41.1	176	165.3	71.5	0	0	0	111.8	C571 C574 E583 L584 L590 E591 H592	C571-H587 WeakPolarHBondContact CB-NE2 3.38Å; C571-H587 PolarHBondContact SG-NE2 3.42Å; C574-H587 PolarHBondContact SG-CE1 2.92Å; C574-H587 PolarHBondContact SG-NE2 3.07Å; E583-H587 VanDerWaalsContact O-CB 3.23Å; E583-H587 WeakPolarHBondContact O-CB 3.25Å; E583-H587 PolarHBondContact O-N 3.27Å; L584-H587 PolarHBondContact O-N 2.73Å; H587-L590 PolarHBondContact O-N 2.81Å; H587-E591 IonicContact CE1-OE1 2.77Å; H587-E591 PolarHBondContact CE1-OE1 3.42Å; H587-E591 IonicContact CE1-OE2 3.14Å; H587-E591 PolarHBondContact CE1-OE2 3.06Å; H587-E591 VanDerWaalsContact CE1-OE2 3.23Å; H587-E591 IonicContact CG-OE1 3.37Å; H587-E591 IonicContact ND1-OE1 2.72Å; H587-E591 PolarHBondContact ND1-OE1 3.05Å; H587-E591 IonicContact ND1-OE2 3.69Å; H587-E591 WeakPolarHBondContact O-CB 3.45Å; H587-E591 PolarHBondContact O-N 3.03Å; H587-H592 AromaticContact CE1-CD2 3.92Å; H587-H592 AromaticContact CE1-NE2 3.52Å; H587-H592 AromaticContact NE2-CD2 3.34Å; H587-H592 PolarHBondContact NE2-CD2 2.82Å; H587-H592 VanDerWaalsContact NE2-CD2 3.34Å; H587-H592 AromaticContact NE2-NE2 3.18Å; H587-H592 PolarHBondContact NE2-NE2 3.37Å; H587-H592 VanDerWaalsContact NE2-NE2 3.18Å
588	L	70.3	Confident	64	Low	52 Å²	52	71.3 Å²	71.3	27%	0.272	37%	0.373	S	S	.	.	H	α-helix	trans	-64.2	-38.8	171.8	-70.5	165.2	0	0	0	112.8	Y573 L584 H585 L586 H592 L593	Y573-L588 HydrophobicContact CD2-CD2 3.7Å; Y573-L588 HydrophobicContact CE2-CD2 3.8Å; L584-L588 HydrophobicContact CD1-CD1 4.14Å; L584-L588 HydrophobicContact CD1-CG 4.13Å; L584-L588 HydrophobicContact CG-CD1 4Å; L584-L588 HydrophobicContact CG-CG 4.47Å; L584-L588 WeakPolarHBondContact O-CB 3.38Å; L584-L588 WeakPolarHBondContact O-CD1 3.38Å; L584-L588 VanDerWaalsContact O-CG 3.23Å; L584-L588 WeakPolarHBondContact O-CG 3.43Å; L584-L588 PolarHBondContact O-N 3.36Å; H585-L588 PolarHBondContact O-N 3.38Å; L586-L588 VanDerWaalsContact C-N 3.25Å; L586-L588 PolarHBondContact O-N 3.19Å; L588-H592 HydrophobicContact CD2-CB 4.2Å; L588-H592 CarbonylContact O-C 2.84Å; L588-H592 PolarHBondContact O-N 3.36Å; L588-H592 VanDerWaalsContact O-N 3.15Å; L588-L593 PolarHBondContact O-N 2.87Å
589	E	67.7	Low	62.9	Low	26 Å²	26	72.2 Å²	72.2	12%	0.121	38%	0.377	C	S	.	.	H	α-helix	trans	-73.6	-28.1	177.6	-161.9	-179	-166.8	0	0	113.8	H585 L586 L593 I599 G613	H585-E589 WeakPolarHBondContact O-CB 3.46Å; H585-E589 PolarHBondContact O-N 3.42Å; L586-E589 CarbonylContact O-C 3.55Å; L586-E589 WeakPolarHBondContact O-CA 3.07Å; L586-E589 PolarHBondContact O-N 3.27Å; E589-L593 HydrophobicContact CB-CD1 4.39Å; E589-L593 HydrophobicContact CG-CD1 4.2Å; E589-I599 HydrophobicContact CG-CD1 3.7Å; E589-I599 HydrophobicContact CG-CG2 4.05Å; E589-I599 WeakPolarHBondContact OE1-CG2 3.47Å; E589-G613 PolarHBondContact OE1-N 3.39Å
590	L	64.2	Low	62.2	Low	64 Å²	64	71.5 Å²	71.5	34%	0.335	37%	0.37	S	S	.	.	H	α-helix	trans	-88.5	-37.2	-178.8	-64.9	175	0	0	0	112.8	L586 H587 Q601 L747	L586-L590 HydrophobicContact CB-CD1 4.44Å; L586-L590 WeakPolarHBondContact O-CB 3.32Å; L586-L590 WeakPolarHBondContact O-CG 3.45Å; L586-L590 PolarHBondContact O-N 3.22Å; H587-L590 PolarHBondContact O-N 2.81Å; L590-Q601 HydrophobicContact CD2-CG 4.01Å; L590-Q601 VanDerWaalsContact CD2-NE2 3.33Å; L590-L747 HydrophobicContact CD1-CD2 4.48Å
591	E	66.6	Low	61.8	Low	108 Å²	108	76 Å²	76	51%	0.505	39%	0.391	S	S	.	.	H	α-helix	trans	-119.7	-17.6	-167.7	-63.4	176.9	-126.5	0	0	115	H587	H587-E591 IonicContact CE1-OE1 2.77Å; H587-E591 PolarHBondContact CE1-OE1 3.42Å; H587-E591 IonicContact CE1-OE2 3.14Å; H587-E591 PolarHBondContact CE1-OE2 3.06Å; H587-E591 VanDerWaalsContact CE1-OE2 3.23Å; H587-E591 IonicContact CG-OE1 3.37Å; H587-E591 IonicContact ND1-OE1 2.72Å; H587-E591 PolarHBondContact ND1-OE1 3.05Å; H587-E591 IonicContact ND1-OE2 3.69Å; H587-E591 WeakPolarHBondContact O-CB 3.45Å; H587-E591 PolarHBondContact O-N 3.03Å
592	H	70.8	Confident	61.6	Low	56 Å²	56	71.8 Å²	71.8	26%	0.259	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	-16.1	-168.3	-63.8	-35.9	0	0	0	116.5	C571 Y573 C574 H587 L588	C571-H592 PolarHBondContact SG-CD2 2.92Å; C571-H592 PolarHBondContact SG-NE2 3.02Å; Y573-H592 HydrophobicContact CD2-CB 3.94Å; Y573-H592 AromaticContact CD2-CD2 3.96Å; Y573-H592 AromaticContact CD2-CG 3.93Å; Y573-H592 HydrophobicContact CE2-CB 4.4Å; Y573-H592 HydrophobicContact CG-CB 4.34Å; C574-H592 PolarHBondContact SG-NE2 3.49Å; H587-H592 AromaticContact CE1-CD2 3.92Å; H587-H592 AromaticContact CE1-NE2 3.52Å; H587-H592 AromaticContact NE2-CD2 3.34Å; H587-H592 PolarHBondContact NE2-CD2 2.82Å; H587-H592 VanDerWaalsContact NE2-CD2 3.34Å; H587-H592 AromaticContact NE2-NE2 3.18Å; H587-H592 PolarHBondContact NE2-NE2 3.37Å; H587-H592 VanDerWaalsContact NE2-NE2 3.18Å; L588-H592 HydrophobicContact CD2-CB 4.2Å; L588-H592 CarbonylContact O-C 2.84Å; L588-H592 PolarHBondContact O-N 3.36Å; L588-H592 VanDerWaalsContact O-N 3.15Å
593	L	63.1	Low	61.8	Low	93 Å²	93	71 Å²	71	49%	0.487	38%	0.379	S	S	.	.	S	Bend	trans	-72.2	133	165.5	-87.7	171.8	0	0	0	109.8	L588 E589 I599	L588-L593 PolarHBondContact O-N 2.87Å; E589-L593 HydrophobicContact CB-CD1 4.39Å; E589-L593 HydrophobicContact CG-CD1 4.2Å; L593-I599 HydrophobicContact CB-CD1 4.04Å; L593-I599 HydrophobicContact CD1-CD1 3.93Å
594	N	47.5	Very low	62.5	Low	113 Å²	113	69.6 Å²	69.6	60%	0.604	37%	0.372	S	S	*	.			trans	-55.8	135.1	-170	-82.4	-50.9	0	0	0	112.3	D596 N597	N594-D596 PolarHBondContact O-N 2.87Å; N594-N597 PolarHBondContact O-N 3.25Å
595	P	48.4	Very low	62.7	Low	129 Å²	129	75.5 Å²	75.5	84%	0.838	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	6	176.8	30.7	-36.9	0	0	0	114.4	N597	P595-N597 VanDerWaalsContact C-N 3.33Å
596	D	45.8	Very low	63.1	Low	99 Å²	99	73.2 Å²	73.2	53%	0.529	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-10.2	163.9	-85.3	-55.6	0	0	0	112.8	R192 N594	R192-D596 IonicContact CZ-OD1 3.72Å; R192-D596 IonicContact NH1-OD1 2.75Å; R192-D596 PolarHBondContact NH1-OD1 3.35Å; R192-D596 IonicContact NH2-OD1 3.16Å; R192-D596 PolarHBondContact NH2-OD1 2.92Å; N594-D596 PolarHBondContact O-N 2.87Å
597	N	46.8	Very low	63.8	Low	98 Å²	98	73.9 Å²	73.9	52%	0.524	40%	0.403	S	S	.	.	S	Bend	trans	-97.6	118.6	169.7	-73.3	-24.5	0	0	0	109.8	N594 P595 I599	N594-N597 PolarHBondContact O-N 3.25Å; P595-N597 VanDerWaalsContact C-N 3.33Å; N597-I599 VanDerWaalsContact C-N 3.27Å; N597-I599 HydrophobicContact CB-CG1 4.32Å; N597-I599 PolarHBondContact O-N 3.35Å
598	D	47.9	Very low	64.4	Low	157 Å²	157	73.6 Å²	73.6	84%	0.84	40%	0.403	S	S	*	.			trans	-72.2	73.9	176.2	-69.4	-56.2	0	0	0	112	E600	D598-E600 PolarHBondContact O-N 2.89Å; D598-E600 VanDerWaalsContact O-N 3.13Å
599	I	50.3	Low	65.2	Low	43 Å²	43	72.2 Å²	72.2	22%	0.221	39%	0.394	C	S	.	.			trans	-78.3	93.1	170.7	-52.8	-175.3	0	0	0	108.2	E589 L593 N597 Q601	E589-I599 HydrophobicContact CG-CD1 3.7Å; E589-I599 HydrophobicContact CG-CG2 4.05Å; E589-I599 WeakPolarHBondContact OE1-CG2 3.47Å; L593-I599 HydrophobicContact CB-CD1 4.04Å; L593-I599 HydrophobicContact CD1-CD1 3.93Å; N597-I599 VanDerWaalsContact C-N 3.27Å; N597-I599 HydrophobicContact CB-CG1 4.32Å; N597-I599 PolarHBondContact O-N 3.35Å; I599-Q601 VanDerWaalsContact C-N 3.29Å; I599-Q601 PolarHBondContact O-N 2.9Å
600	E	53.3	Low	65.8	Low	81 Å²	81	72 Å²	72	38%	0.379	40%	0.395	S	S	.	.			trans	-68.3	82.9	177.4	-64.1	-159.7	137.1	0	0	111.7	D598 L602 R617	D598-E600 PolarHBondContact O-N 2.89Å; D598-E600 VanDerWaalsContact O-N 3.13Å; E600-L602 HydrophobicContact CB-CD1 3.93Å; E600-L602 HydrophobicContact CB-CG 4.12Å; E600-L602 WeakPolarHBondContact O-CG 3.36Å; E600-L602 PolarHBondContact O-N 3.29Å; E600-R617 IonicContact OE1-CZ 3.07Å; E600-R617 IonicContact OE1-NH1 2.86Å; E600-R617 PolarHBondContact OE1-NH1 3.07Å; E600-R617 WeakPolarHBondContact OE2-CD 3.43Å; E600-R617 IonicContact OE2-CZ 3.94Å; E600-R617 IonicContact OE2-NE 3.94Å; E600-R617 IonicContact OE2-NH1 2.73Å; E600-R617 PolarHBondContact OE2-NH1 2.97Å
601	Q	61.7	Low	66.3	Low	105 Å²	105	69.2 Å²	69.2	49%	0.491	38%	0.38	S	S	.	.			trans	-62.4	110.4	168.3	-61.9	169.1	21.9	0	0	109	L590 I599	L590-Q601 HydrophobicContact CD2-CG 4.01Å; L590-Q601 VanDerWaalsContact CD2-NE2 3.33Å; I599-Q601 VanDerWaalsContact C-N 3.29Å; I599-Q601 PolarHBondContact O-N 2.9Å
602	L	68.4	Low	66.3	Low	43 Å²	43	65.1 Å²	65.1	23%	0.225	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	116.5	-169.9	-77.1	173.5	0	0	0	110.9	E600 F611 R617 L620	E600-L602 HydrophobicContact CB-CD1 3.93Å; E600-L602 HydrophobicContact CB-CG 4.12Å; E600-L602 WeakPolarHBondContact O-CG 3.36Å; E600-L602 PolarHBondContact O-N 3.29Å; L602-F611 PolarHBondContact N-O 2.96Å; L602-F611 WeakPolarHBondContact O-CD2 3.27Å; L602-F611 PolarHBondContact O-N 2.79Å; L602-R617 VanDerWaalsContact CD1-CA 3.47Å; L602-R617 HydrophobicContact CD1-CB 3.58Å; L602-R617 HydrophobicContact CD1-CG 3.73Å; L602-L620 HydrophobicContact CB-CB 4.45Å; L602-L620 HydrophobicContact CB-CD2 3.81Å; L602-L620 HydrophobicContact CD2-CD2 4.32Å; L602-L620 HydrophobicContact CG-CD2 4.48Å
603	G	73.5	Confident	66	Low	47 Å²	47	63.5 Å²	63.5	49%	0.485	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	145.2	-179.3	0	0	0	0	0	113.3	R609	G603-R609 CarbonylContact C-O 3.49Å; G603-R609 WeakPolarHBondContact CA-O 3.42Å
604	C	82.4	Confident	66.1	Low	4 Å²	4	65.5 Å²	65.5	3%	0.027	38%	0.381	C	S	.	.			trans	-86.8	107.1	167.6	-178.4	0	0	0	0	110.6	A606 C607 G608 R609 F611 L620 H623 H628	C604-A606 PolarHBondContact O-N 2.75Å; C604-A606 VanDerWaalsContact O-N 3.09Å; C604-C607 PolarHBondContact O-N 3.02Å; C604-G608 WeakPolarHBondContact O-CA 3.48Å; C604-G608 PolarHBondContact O-N 3.11Å; C604-R609 PolarHBondContact N-O 2.99Å; C604-F611 HydrophobicContact CB-CE2 4.49Å; C604-L620 HydrophobicContact CB-CD1 3.76Å; C604-H623 WeakPolarHBondContact CB-NE2 3.27Å; C604-H623 PolarHBondContact SG-NE2 2.69Å; C604-H628 VanDerWaalsContact SG-CD2 3.51Å; C604-H628 PolarHBondContact SG-NE2 3.46Å
605	Q	77.4	Confident	67	Low	150 Å²	150	60.3 Å²	60.3	70%	0.701	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.5	179.5	-167.2	63	21.8	0	0	113.8
606	A	80.4	Confident	68.1	Low	57 Å²	57	54.2 Å²	54.2	47%	0.471	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-19.8	-176	0	0	0	0	0	114.8	C604	C604-A606 PolarHBondContact O-N 2.75Å; C604-A606 VanDerWaalsContact O-N 3.09Å
607	C	84	Confident	69.3	Low	16 Å²	16	53.6 Å²	53.6	11%	0.108	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.2	0.8	177.5	79	0	0	0	0	115.5	C604 R609 H623 F757	C604-C607 PolarHBondContact O-N 3.02Å; C607-R609 VanDerWaalsContact C-N 3.29Å; C607-R609 PolarHBondContact O-N 3.14Å; C607-H623 PolarHBondContact SG-CE1 2.75Å; C607-H623 PolarHBondContact SG-NE2 3.42Å; C607-F757 VanDerWaalsContact O-CE1 3.29Å; C607-F757 WeakPolarHBondContact O-CE1 3.41Å; C607-F757 WeakPolarHBondContact O-CZ 3.4Å
608	G	82.6	Confident	70.8	Confident	4 Å²	4	53.2 Å²	53.2	4%	0.041	30%	0.302	C	S	.	.			trans	80.7	-14.3	178	0	0	0	0	0	116.2	C604 V610 Y739 C740	C604-G608 WeakPolarHBondContact O-CA 3.48Å; C604-G608 PolarHBondContact O-N 3.11Å; G608-V610 PolarHBondContact O-N 3.33Å; G608-Y739 CarbonylContact O-C 3.47Å; G608-Y739 WeakPolarHBondContact O-CA 3.04Å; G608-C740 WeakPolarHBondContact CA-O 3.43Å; G608-C740 PolarHBondContact O-N 2.84Å
609	R	87	Confident	72.4	Confident	24 Å²	24	45.9 Å²	45.9	9%	0.091	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	134.3	179.7	-81.9	-176.9	177.8	72.1	-6.1	112.1	G603 C604 C607 F611 E726 A738 Y739	G603-R609 CarbonylContact C-O 3.49Å; G603-R609 WeakPolarHBondContact CA-O 3.42Å; C604-R609 PolarHBondContact N-O 2.99Å; C607-R609 VanDerWaalsContact C-N 3.29Å; C607-R609 PolarHBondContact O-N 3.14Å; R609-F611 HydrophobicContact CB-CE2 3.81Å; R609-F611 HydrophobicContact CB-CZ 3.9Å; R609-E726 IonicContact CZ-OE2 2.95Å; R609-E726 IonicContact NE-OE1 3.31Å; R609-E726 IonicContact NE-OE2 3.23Å; R609-E726 PolarHBondContact NE-OE2 2.71Å; R609-E726 IonicContact NH2-OE2 3.4Å; R609-E726 PolarHBondContact NH2-OE2 3.28Å; R609-A738 WeakPolarHBondContact CA-O 3.43Å; R609-Y739 HydrophobicContact CG-CD1 3.99Å; R609-Y739 HydrophobicContact CG-CE1 3.54Å
610	V	80.1	Confident	73.9	Confident	21 Å²	21	44.8 Å²	44.8	13%	0.127	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	138.9	176.4	-165.6	0	0	0	0	109.9	G608 F612 A738 C740 L747	G608-V610 PolarHBondContact O-N 3.33Å; V610-F612 HydrophobicContact CB-CE1 4.41Å; V610-F612 HydrophobicContact CB-CE2 3.99Å; V610-F612 HydrophobicContact CB-CZ 3.7Å; V610-F612 HydrophobicContact CG1-CD1 4.34Å; V610-F612 HydrophobicContact CG1-CE1 3.57Å; V610-F612 HydrophobicContact CG1-CE2 3.99Å; V610-F612 HydrophobicContact CG1-CZ 3.37Å; V610-A738 HydrophobicContact CB-CB 4.42Å; V610-A738 PolarHBondContact N-O 3.3Å; V610-C740 HydrophobicContact CG2-CB 3.89Å; V610-L747 HydrophobicContact CG2-CD1 4.2Å
611	F	75.3	Confident	75.3	Confident	6 Å²	6	44.5 Å²	44.5	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.5	-178	-58.3	-86.6	0	0	0	110.1	L602 C604 R609 G616 D619 L620 H623	L602-F611 PolarHBondContact N-O 2.96Å; L602-F611 WeakPolarHBondContact O-CD2 3.27Å; L602-F611 PolarHBondContact O-N 2.79Å; C604-F611 HydrophobicContact CB-CE2 4.49Å; R609-F611 HydrophobicContact CB-CE2 3.81Å; R609-F611 HydrophobicContact CB-CZ 3.9Å; F611-G616 WeakPolarHBondContact CB-O 3.26Å; F611-D619 HydrophobicContact CB-CB 4.46Å; F611-D619 HydrophobicContact CD1-CB 3.46Å; F611-D619 VanDerWaalsContact CD1-CB 3.46Å; F611-D619 HydrophobicContact CE1-CB 4Å; F611-D619 HydrophobicContact CG-CB 4.2Å; F611-L620 HydrophobicContact CD2-CB 3.73Å; F611-L620 HydrophobicContact CD2-CD1 3.85Å; F611-L620 HydrophobicContact CD2-CG 4.35Å; F611-L620 HydrophobicContact CE2-CB 4.17Å; F611-L620 HydrophobicContact CE2-CD1 3.69Å; F611-L620 HydrophobicContact CG-CB 4.22Å; F611-H623 HydrophobicContact CE1-CB 4.23Å; F611-H623 HydrophobicContact CE2-CB 4.13Å; F611-H623 AromaticContact CE2-CD2 3.92Å; F611-H623 AromaticContact CE2-CG 4Å; F611-H623 HydrophobicContact CZ-CB 3.51Å; F611-H623 AromaticContact CZ-CD2 3.91Å; F611-H623 AromaticContact CZ-CG 3.52Å
612	F	66.6	Low	76.3	Confident	21 Å²	21	39.9 Å²	39.9	9%	0.092	24%	0.238	C	C	.	.			trans	-119.7	165.7	-169.3	-54.8	-80.3	0	0	0	113.4	L586 V610 G616 I736 A738	L586-F612 HydrophobicContact CD1-CE2 4.43Å; L586-F612 HydrophobicContact CD1-CZ 4.15Å; L586-F612 HydrophobicContact CD2-CD1 3.71Å; L586-F612 HydrophobicContact CD2-CD2 3.94Å; L586-F612 HydrophobicContact CD2-CE1 3.48Å; L586-F612 VanDerWaalsContact CD2-CE1 3.48Å; L586-F612 HydrophobicContact CD2-CE2 3.7Å; L586-F612 HydrophobicContact CD2-CG 3.94Å; L586-F612 HydrophobicContact CD2-CZ 3.46Å; L586-F612 VanDerWaalsContact CD2-CZ 3.46Å; L586-F612 HydrophobicContact CG-CZ 4.46Å; V610-F612 HydrophobicContact CB-CE1 4.41Å; V610-F612 HydrophobicContact CB-CE2 3.99Å; V610-F612 HydrophobicContact CB-CZ 3.7Å; V610-F612 HydrophobicContact CG1-CD1 4.34Å; V610-F612 HydrophobicContact CG1-CE1 3.57Å; V610-F612 HydrophobicContact CG1-CE2 3.99Å; V610-F612 HydrophobicContact CG1-CZ 3.37Å; F612-G616 PolarHBondContact O-N 3.07Å; F612-I736 HydrophobicContact CD2-CB 4.3Å; F612-I736 HydrophobicContact CE2-CG2 4.46Å; F612-A738 HydrophobicContact CE2-CB 3.72Å; F612-A738 HydrophobicContact CZ-CB 3.96Å
613	G	64.6	Low	77.1	Confident	23 Å²	23	37.9 Å²	37.9	24%	0.237	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	63.4	-177.4	177.5	0	0	0	0	0	115.7	E589 G615 G616	E589-G613 PolarHBondContact OE1-N 3.39Å; G613-G615 PolarHBondContact O-N 3.04Å; G613-G616 PolarHBondContact O-N 3.37Å
614	S	63.8	Low	77.7	Confident	135 Å²	135	38 Å²	38	94%	0.944	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-62.5	-4.8	-172	58	0	0	0	0	116.6
615	G	66.8	Low	77.7	Confident	4 Å²	4	44 Å²	44	4%	0.041	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-114.6	-4.7	173.9	0	0	0	0	0	114.8	G613 R617 I618 D619	G613-G615 PolarHBondContact O-N 3.04Å; G615-R617 PolarHBondContact O-N 2.72Å; G615-R617 VanDerWaalsContact O-N 3.07Å; G615-I618 WeakPolarHBondContact O-CA 3.09Å; G615-I618 WeakPolarHBondContact O-CB 3.49Å; G615-I618 PolarHBondContact O-N 3.2Å; G615-D619 PolarHBondContact O-N 3.5Å; G615-D619 VanDerWaalsContact O-N 3.08Å
616	G	71.4	Confident	77.9	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56.2	-30.2	-174.7	0	0	0	0	0	113.7	F611 F612 G613 D619 L620	F611-G616 WeakPolarHBondContact CB-O 3.26Å; F612-G616 PolarHBondContact O-N 3.07Å; G613-G616 PolarHBondContact O-N 3.37Å; G616-D619 PolarHBondContact O-N 3.1Å; G616-L620 WeakPolarHBondContact O-CB 3.47Å; G616-L620 PolarHBondContact O-N 3.03Å
617	R	71.5	Confident	78.1	Confident	86 Å²	86	35.7 Å²	35.7	33%	0.325	19%	0.191	S	C	.	.	H	α-helix	trans	-64.7	-40.3	172.7	-161.7	-170.5	-161.1	113.9	6.1	113.8	E600 L602 G615 D619 I621	E600-R617 IonicContact OE1-CZ 3.07Å; E600-R617 IonicContact OE1-NH1 2.86Å; E600-R617 PolarHBondContact OE1-NH1 3.07Å; E600-R617 WeakPolarHBondContact OE2-CD 3.43Å; E600-R617 IonicContact OE2-CZ 3.94Å; E600-R617 IonicContact OE2-NE 3.94Å; E600-R617 IonicContact OE2-NH1 2.73Å; E600-R617 PolarHBondContact OE2-NH1 2.97Å; L602-R617 VanDerWaalsContact CD1-CA 3.47Å; L602-R617 HydrophobicContact CD1-CB 3.58Å; L602-R617 HydrophobicContact CD1-CG 3.73Å; G615-R617 PolarHBondContact O-N 2.72Å; G615-R617 VanDerWaalsContact O-N 3.07Å; R617-D619 VanDerWaalsContact C-N 3.32Å; R617-I621 HydrophobicContact CG-CD1 4.06Å; R617-I621 WeakPolarHBondContact O-CB 3.4Å; R617-I621 WeakPolarHBondContact O-CD1 3.41Å; R617-I621 WeakPolarHBondContact O-CG1 3.44Å; R617-I621 PolarHBondContact O-N 3.01Å
618	I	78.4	Confident	78.1	Confident	90 Å²	90	38.7 Å²	38.7	46%	0.462	20%	0.203	S	C	.	.	H	α-helix	trans	-69.9	-37.9	176.4	-61.3	173.2	0	0	0	109.4	G615 G622 R674	G615-I618 WeakPolarHBondContact O-CA 3.09Å; G615-I618 WeakPolarHBondContact O-CB 3.49Å; G615-I618 PolarHBondContact O-N 3.2Å; I618-G622 PolarHBondContact O-N 2.84Å; I618-R674 HydrophobicContact CG2-CB 4.13Å
619	D	80.1	Confident	77.8	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-67.2	-45.5	178	-61.3	-35	0	0	0	111.5	F611 G615 G616 R617 G622 H623 S672 R674	F611-D619 HydrophobicContact CB-CB 4.46Å; F611-D619 HydrophobicContact CD1-CB 3.46Å; F611-D619 VanDerWaalsContact CD1-CB 3.46Å; F611-D619 HydrophobicContact CE1-CB 4Å; F611-D619 HydrophobicContact CG-CB 4.2Å; G615-D619 PolarHBondContact O-N 3.5Å; G615-D619 VanDerWaalsContact O-N 3.08Å; G616-D619 PolarHBondContact O-N 3.1Å; R617-D619 VanDerWaalsContact C-N 3.32Å; D619-G622 PolarHBondContact O-N 3.38Å; D619-H623 VanDerWaalsContact O-CB 3.24Å; D619-H623 WeakPolarHBondContact O-CB 3.35Å; D619-H623 PolarHBondContact O-N 3.32Å; D619-S672 VanDerWaalsContact OD1-CB 3.27Å; D619-S672 WeakPolarHBondContact OD1-CB 3.38Å; D619-S672 PolarHBondContact OD1-OG 3.33Å; D619-R674 WeakPolarHBondContact OD1-CB 3.46Å; D619-R674 IonicContact OD1-NE 3.17Å; D619-R674 IonicContact OD2-CZ 2.72Å; D619-R674 IonicContact OD2-NE 2.69Å; D619-R674 PolarHBondContact OD2-NE 2.86Å; D619-R674 IonicContact OD2-NH2 2.65Å; D619-R674 PolarHBondContact OD2-NH2 2.89Å; D619-R674 VanDerWaalsContact OD2-NH2 3.14Å
620	L	82.1	Confident	76.7	Confident	20 Å²	20	49.6 Å²	49.6	11%	0.105	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-44.6	173.2	178.8	62.5	0	0	0	112.6	L602 C604 F611 G616 G622 H623 L624	L602-L620 HydrophobicContact CB-CB 4.45Å; L602-L620 HydrophobicContact CB-CD2 3.81Å; L602-L620 HydrophobicContact CD2-CD2 4.32Å; L602-L620 HydrophobicContact CG-CD2 4.48Å; C604-L620 HydrophobicContact CB-CD1 3.76Å; F611-L620 HydrophobicContact CD2-CB 3.73Å; F611-L620 HydrophobicContact CD2-CD1 3.85Å; F611-L620 HydrophobicContact CD2-CG 4.35Å; F611-L620 HydrophobicContact CE2-CB 4.17Å; F611-L620 HydrophobicContact CE2-CD1 3.69Å; F611-L620 HydrophobicContact CG-CB 4.22Å; G616-L620 WeakPolarHBondContact O-CB 3.47Å; G616-L620 PolarHBondContact O-N 3.03Å; L620-G622 VanDerWaalsContact C-N 3.31Å; L620-G622 PolarHBondContact O-N 3.38Å; L620-H623 PolarHBondContact O-N 2.81Å; L620-L624 HydrophobicContact CD1-CD1 3.96Å; L620-L624 HydrophobicContact CD1-CD2 4.43Å; L620-L624 HydrophobicContact CD1-CG 3.87Å; L620-L624 HydrophobicContact CD2-CD1 4.41Å; L620-L624 HydrophobicContact CG-CD1 3.88Å; L620-L624 HydrophobicContact CG-CG 4.25Å; L620-L624 WeakPolarHBondContact O-CB 3.44Å; L620-L624 WeakPolarHBondContact O-CG 3.39Å; L620-L624 PolarHBondContact O-N 3.23Å
621	I	82.6	Confident	76.2	Confident	75 Å²	75	52.5 Å²	52.5	39%	0.385	28%	0.275	S	S	.	.	H	α-helix	trans	-64	-39.2	179.1	-71.7	167.1	0	0	0	110.9	R617 R625	R617-I621 HydrophobicContact CG-CD1 4.06Å; R617-I621 WeakPolarHBondContact O-CB 3.4Å; R617-I621 WeakPolarHBondContact O-CD1 3.41Å; R617-I621 WeakPolarHBondContact O-CG1 3.44Å; R617-I621 PolarHBondContact O-N 3.01Å; I621-R625 VanDerWaalsContact O-CG 3.3Å; I621-R625 WeakPolarHBondContact O-CG 3.48Å; I621-R625 PolarHBondContact O-N 3.23Å
622	G	83.5	Confident	75.9	Confident	8 Å²	8	53.1 Å²	53.1	8%	0.082	28%	0.277	C	S	.	.	H	α-helix	trans	-61.9	-52.7	171.8	0	0	0	0	0	111.4	I618 D619 L620 L624 R625 T626 S671	I618-G622 PolarHBondContact O-N 2.84Å; D619-G622 PolarHBondContact O-N 3.38Å; L620-G622 VanDerWaalsContact C-N 3.31Å; L620-G622 PolarHBondContact O-N 3.38Å; G622-L624 PolarHBondContact O-N 3.45Å; G622-R625 PolarHBondContact O-N 3.09Å; G622-T626 WeakPolarHBondContact O-CB 3.23Å; G622-T626 WeakPolarHBondContact O-CG2 3.36Å; G622-T626 PolarHBondContact O-N 3.16Å; G622-T626 PolarHBondContact O-OG1 2.89Å; G622-S671 CarbonylContact C-O 3.42Å; G622-S671 WeakPolarHBondContact CA-O 3.38Å; G622-S671 VanDerWaalsContact O-O 3.1Å
623	H	85.6	Confident	76	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-55.3	-45.9	178.8	169.1	72.9	0	0	0	112.9	C604 C607 F611 D619 L620 R625 T626 L627 H628 S671	C604-H623 WeakPolarHBondContact CB-NE2 3.27Å; C604-H623 PolarHBondContact SG-NE2 2.69Å; C607-H623 PolarHBondContact SG-CE1 2.75Å; C607-H623 PolarHBondContact SG-NE2 3.42Å; F611-H623 HydrophobicContact CE1-CB 4.23Å; F611-H623 HydrophobicContact CE2-CB 4.13Å; F611-H623 AromaticContact CE2-CD2 3.92Å; F611-H623 AromaticContact CE2-CG 4Å; F611-H623 HydrophobicContact CZ-CB 3.51Å; F611-H623 AromaticContact CZ-CD2 3.91Å; F611-H623 AromaticContact CZ-CG 3.52Å; D619-H623 VanDerWaalsContact O-CB 3.24Å; D619-H623 WeakPolarHBondContact O-CB 3.35Å; D619-H623 PolarHBondContact O-N 3.32Å; L620-H623 PolarHBondContact O-N 2.81Å; H623-R625 PolarHBondContact O-N 3.41Å; H623-T626 WeakPolarHBondContact CA-OG1 3.11Å; H623-T626 PolarHBondContact O-N 2.67Å; H623-T626 PolarHBondContact O-OG1 2.94Å; H623-L627 VanDerWaalsContact ND1-CD1 3.26Å; H623-L627 WeakPolarHBondContact ND1-CD1 3.43Å; H623-L627 WeakPolarHBondContact O-CB 3.37Å; H623-L627 PolarHBondContact O-N 2.88Å; H623-H628 AromaticContact CE1-CD2 3.88Å; H623-H628 AromaticContact CE1-NE2 3.65Å; H623-H628 AromaticContact NE2-CD2 3.35Å; H623-H628 PolarHBondContact NE2-CD2 3.43Å; H623-H628 VanDerWaalsContact NE2-CD2 3.35Å; H623-H628 AromaticContact NE2-NE2 3.28Å; H623-H628 PolarHBondContact NE2-NE2 3.21Å; H623-S671 PolarHBondContact N-O 2.76Å
624	L	84.8	Confident	76.3	Confident	49 Å²	49	64.2 Å²	64.2	26%	0.257	33%	0.327	S	S	.	.	H	α-helix	trans	-63.3	-41.5	177.6	-72.4	171	0	0	0	112.3	L620 G622 H628 Q629	L620-L624 HydrophobicContact CD1-CD1 3.96Å; L620-L624 HydrophobicContact CD1-CD2 4.43Å; L620-L624 HydrophobicContact CD1-CG 3.87Å; L620-L624 HydrophobicContact CD2-CD1 4.41Å; L620-L624 HydrophobicContact CG-CD1 3.88Å; L620-L624 HydrophobicContact CG-CG 4.25Å; L620-L624 WeakPolarHBondContact O-CB 3.44Å; L620-L624 WeakPolarHBondContact O-CG 3.39Å; L620-L624 PolarHBondContact O-N 3.23Å; G622-L624 PolarHBondContact O-N 3.45Å; L624-H628 HydrophobicContact CD2-CB 4.34Å; L624-H628 CarbonylContact O-C 3.58Å; L624-H628 VanDerWaalsContact O-C 3.24Å; L624-H628 VanDerWaalsContact O-CA 3.32Å; L624-H628 WeakPolarHBondContact O-CA 3.43Å; L624-H628 WeakPolarHBondContact O-CB 3.35Å; L624-H628 PolarHBondContact O-N 3.42Å; L624-Q629 PolarHBondContact O-N 2.98Å
625	R	83.4	Confident	76.8	Confident	131 Å²	131	60 Å²	60	49%	0.494	29%	0.294	S	S	.	.	H	α-helix	trans	-70	-38.5	177	-69.8	176.1	178.3	-176.4	-0.9	113	I621 G622 H623 N635	I621-R625 VanDerWaalsContact O-CG 3.3Å; I621-R625 WeakPolarHBondContact O-CG 3.48Å; I621-R625 PolarHBondContact O-N 3.23Å; G622-R625 PolarHBondContact O-N 3.09Å; H623-R625 PolarHBondContact O-N 3.41Å; R625-N635 HydrophobicContact CB-CB 4.39Å; R625-N635 VanDerWaalsContact O-CB 3.32Å; R625-N635 WeakPolarHBondContact O-CB 3.26Å; R625-N635 PolarHBondContact O-ND2 3.5Å
626	T	82.2	Confident	77.5	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-78.9	-37.7	-177.2	48.9	0	0	0	0	113	G622 H623 F632 N635 V636 S671	G622-T626 WeakPolarHBondContact O-CB 3.23Å; G622-T626 WeakPolarHBondContact O-CG2 3.36Å; G622-T626 PolarHBondContact O-N 3.16Å; G622-T626 PolarHBondContact O-OG1 2.89Å; H623-T626 WeakPolarHBondContact CA-OG1 3.11Å; H623-T626 PolarHBondContact O-N 2.67Å; H623-T626 PolarHBondContact O-OG1 2.94Å; T626-F632 WeakPolarHBondContact O-CD2 3.33Å; T626-F632 WeakPolarHBondContact O-CE2 3.49Å; T626-N635 HydrophobicContact CG2-CB 4.26Å; T626-N635 WeakPolarHBondContact CG2-O 3.5Å; T626-V636 HydrophobicContact CG2-CG2 4.24Å; T626-S671 WeakPolarHBondContact CG2-O 3.47Å; T626-S671 PolarHBondContact OG1-O 2.75Å
627	L	83.7	Confident	78	Confident	30 Å²	30	63.4 Å²	63.4	16%	0.157	31%	0.311	C	S	.	.	H	α-helix	trans	-115.7	-11.2	-169.4	-73.1	154.7	0	0	0	114.6	H623 F632 K719 I722	H623-L627 VanDerWaalsContact ND1-CD1 3.26Å; H623-L627 WeakPolarHBondContact ND1-CD1 3.43Å; H623-L627 WeakPolarHBondContact O-CB 3.37Å; H623-L627 PolarHBondContact O-N 2.88Å; L627-F632 HydrophobicContact CD2-CE2 4.01Å; L627-K719 HydrophobicContact CD2-CB 4.19Å; L627-K719 HydrophobicContact CD2-CD 4.42Å; L627-K719 HydrophobicContact CD2-CG 3.76Å; L627-I722 HydrophobicContact CD1-CG2 4.33Å
628	H	83.1	Confident	78.5	Confident	78 Å²	78	64.5 Å²	64.5	36%	0.361	32%	0.318	S	S	.	.	S	Bend	trans	-136	17.1	-174.3	-62.8	-65.5	0	0	0	114.7	C604 H623 L624	C604-H628 VanDerWaalsContact SG-CD2 3.51Å; C604-H628 PolarHBondContact SG-NE2 3.46Å; H623-H628 AromaticContact CE1-CD2 3.88Å; H623-H628 AromaticContact CE1-NE2 3.65Å; H623-H628 AromaticContact NE2-CD2 3.35Å; H623-H628 PolarHBondContact NE2-CD2 3.43Å; H623-H628 VanDerWaalsContact NE2-CD2 3.35Å; H623-H628 AromaticContact NE2-NE2 3.28Å; H623-H628 PolarHBondContact NE2-NE2 3.21Å; L624-H628 HydrophobicContact CD2-CB 4.34Å; L624-H628 CarbonylContact O-C 3.58Å; L624-H628 VanDerWaalsContact O-C 3.24Å; L624-H628 VanDerWaalsContact O-CA 3.32Å; L624-H628 WeakPolarHBondContact O-CA 3.43Å; L624-H628 WeakPolarHBondContact O-CB 3.35Å; L624-H628 PolarHBondContact O-N 3.42Å
629	Q	77.6	Confident	78.6	Confident	80 Å²	80	60.3 Å²	60.3	37%	0.374	30%	0.297	S	S	.	.	S	Bend	trans	-115.3	152.1	165.4	-70.5	-171.5	-29.4	0	0	110.2	L624 D631 F632	L624-Q629 PolarHBondContact O-N 2.98Å; Q629-D631 PolarHBondContact O-N 2.85Å; Q629-F632 PolarHBondContact O-N 3.1Å
630	D	63.4	Low	78.1	Confident	177 Å²	177	63.6 Å²	63.6	95%	0.947	32%	0.318	S	S	*	.	S	Bend	trans	-60.9	-32.8	-173.1	-49.2	-66.2	0	0	0	112.9	F632	D630-F632 VanDerWaalsContact C-N 3.28Å; D630-F632 PolarHBondContact O-N 3.27Å; D630-F632 VanDerWaalsContact O-N 3.12Å
631	D	68.7	Low	77.3	Confident	82 Å²	82	67.1 Å²	67.1	44%	0.439	33%	0.33	S	S	.	.			trans	-88.4	61.7	176.6	-162.4	-7.9	0	0	0	111.9	Q629 L633 Q634 N635	Q629-D631 PolarHBondContact O-N 2.85Å; D631-L633 PolarHBondContact O-N 2.79Å; D631-Q634 WeakPolarHBondContact OD1-CB 3.24Å; D631-Q634 PolarHBondContact OD1-N 3.03Å; D631-Q634 PolarHBondContact OD2-OE1 3.28Å; D631-N635 PolarHBondContact O-ND2 2.71Å
632	F	69.5	Low	76	Confident	19 Å²	19	65.2 Å²	65.2	8%	0.083	32%	0.322	C	S	.	.	H	α-helix	trans	-52.7	-53	178.6	171.2	-88.5	0	0	0	111.6	T626 L627 Q629 D630 Q634 N635 V636 I718 K719 I722	T626-F632 WeakPolarHBondContact O-CD2 3.33Å; T626-F632 WeakPolarHBondContact O-CE2 3.49Å; L627-F632 HydrophobicContact CD2-CE2 4.01Å; Q629-F632 PolarHBondContact O-N 3.1Å; D630-F632 VanDerWaalsContact C-N 3.28Å; D630-F632 PolarHBondContact O-N 3.27Å; D630-F632 VanDerWaalsContact O-N 3.12Å; F632-Q634 PolarHBondContact O-N 3.06Å; F632-N635 PolarHBondContact O-N 3.45Å; F632-V636 HydrophobicContact CD1-CG2 4.47Å; F632-V636 HydrophobicContact CE1-CG2 4.12Å; F632-V636 HydrophobicContact CE2-CG2 4.12Å; F632-V636 HydrophobicContact CZ-CG2 3.92Å; F632-V636 WeakPolarHBondContact O-CG2 3.3Å; F632-V636 PolarHBondContact O-N 3.16Å; F632-I718 HydrophobicContact CE1-CB 3.74Å; F632-I718 HydrophobicContact CE1-CD1 4.19Å; F632-I718 HydrophobicContact CE1-CG2 3.77Å; F632-I718 HydrophobicContact CZ-CB 3.76Å; F632-I718 HydrophobicContact CZ-CG2 3.68Å; F632-K719 HydrophobicContact CE2-CD 4.47Å; F632-K719 HydrophobicContact CE2-CG 3.59Å; F632-K719 HydrophobicContact CZ-CG 3.81Å; F632-I722 HydrophobicContact CE2-CD1 4.5Å; F632-I722 HydrophobicContact CZ-CD1 4.37Å
633	L	69.3	Low	74	Confident	118 Å²	118	72.7 Å²	72.7	62%	0.618	36%	0.355	S	S	*	.	H	α-helix	trans	-66.8	-36.7	-169.8	-70.8	175.5	0	0	0	113.3	D631 N635 I718	D631-L633 PolarHBondContact O-N 2.79Å; L633-N635 VanDerWaalsContact C-N 3.32Å; L633-I718 HydrophobicContact CD2-CD1 3.5Å
634	Q	70.9	Confident	71.8	Confident	160 Å²	160	82.6 Å²	82.6	75%	0.748	40%	0.398	S	S	*	.	H	α-helix	trans	-76.4	-20.5	-179.5	-169.6	151.6	17.2	0	0	112.9	D631 F632	D631-Q634 WeakPolarHBondContact OD1-CB 3.24Å; D631-Q634 PolarHBondContact OD1-N 3.03Å; D631-Q634 PolarHBondContact OD2-OE1 3.28Å; F632-Q634 PolarHBondContact O-N 3.06Å
635	N	75	Confident	69.3	Low	47 Å²	47	88.1 Å²	88.1	25%	0.251	43%	0.427	S	S	.	.	H	α-helix	trans	-88.3	-27.2	179.8	-77.6	-56.3	0	0	0	114.3	R625 T626 D631 F632 L633 L637	R625-N635 HydrophobicContact CB-CB 4.39Å; R625-N635 VanDerWaalsContact O-CB 3.32Å; R625-N635 WeakPolarHBondContact O-CB 3.26Å; R625-N635 PolarHBondContact O-ND2 3.5Å; T626-N635 HydrophobicContact CG2-CB 4.26Å; T626-N635 WeakPolarHBondContact CG2-O 3.5Å; D631-N635 PolarHBondContact O-ND2 2.71Å; F632-N635 PolarHBondContact O-N 3.45Å; L633-N635 VanDerWaalsContact C-N 3.32Å; N635-L637 WeakPolarHBondContact O-CD2 3.18Å; N635-L637 PolarHBondContact O-N 3.1Å
636	V	80.3	Confident	66.8	Low	18 Å²	18	85.1 Å²	85.1	11%	0.109	44%	0.437	C	S	.	.			trans	-68	126.9	-176.1	174.9	0	0	0	0	112.1	T626 F632 H669 I718 I722	T626-V636 HydrophobicContact CG2-CG2 4.24Å; F632-V636 HydrophobicContact CD1-CG2 4.47Å; F632-V636 HydrophobicContact CE1-CG2 4.12Å; F632-V636 HydrophobicContact CE2-CG2 4.12Å; F632-V636 HydrophobicContact CZ-CG2 3.92Å; F632-V636 WeakPolarHBondContact O-CG2 3.3Å; F632-V636 PolarHBondContact O-N 3.16Å; V636-H669 HydrophobicContact CG1-CB 3.91Å; V636-I718 HydrophobicContact CG1-CG2 4.01Å; V636-I718 HydrophobicContact CG2-CG2 4.37Å; V636-I722 HydrophobicContact CG1-CD1 3.9Å; V636-I722 HydrophobicContact CG1-CG1 4.27Å; V636-I722 HydrophobicContact CG2-CD1 3.73Å
637	L	81.7	Confident	64.4	Low	56 Å²	56	93.5 Å²	93.5	29%	0.293	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	109.3	-171.7	-51.5	175.6	0	0	0	111.5	N635 F670 P673	N635-L637 WeakPolarHBondContact O-CD2 3.18Å; N635-L637 PolarHBondContact O-N 3.1Å; L637-F670 HydrophobicContact CB-CB 4.48Å; L637-F670 PolarHBondContact N-O 3.48Å; L637-F670 WeakPolarHBondContact O-CD2 3.38Å; L637-F670 PolarHBondContact O-N 2.93Å; L637-P673 HydrophobicContact CD1-CB 4.17Å; L637-P673 HydrophobicContact CD1-CG 3.83Å
638	K	82.4	Confident	62.1	Low	110 Å²	110	99.4 Å²	99.4	48%	0.478	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	144.7	175	-59.2	-177.6	-179.3	177.3	0	112.4	R676	K638-R676 VanDerWaalsContact O-CZ 3.26Å; K638-R676 PolarHBondContact O-NE 3.3Å; K638-R676 PolarHBondContact O-NH2 2.89Å
639	C	80.2	Confident	59.8	Low	1 Å²	1	101.5 Å²	101.5	1%	0.007	53%	0.531	C	S	.	.			trans	-56.4	133.1	170.5	179.7	0	0	0	0	111.3	R641 T642 C666 A668 F670 H679	C639-R641 PolarHBondContact O-N 2.08Å; C639-T642 PolarHBondContact O-N 3.36Å; C639-T642 PolarHBondContact O-OG1 2.8Å; C639-T642 VanDerWaalsContact O-OG1 3.13Å; C639-C666 HydrophobicContact CB-CB 4.38Å; C639-A668 HydrophobicContact CB-CB 4.2Å; C639-A668 PolarHBondContact N-O 3.39Å; C639-F670 HydrophobicContact CB-CE2 4.19Å; C639-H679 PolarHBondContact SG-NE2 3.08Å
640	P	70.8	Confident	57.6	Low	74 Å²	74	103 Å²	103	48%	0.481	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	18.2	-178.3	33.2	-35.9	0	0	0	114	I680	P640-I680 HydrophobicContact CG-CD1 3.62Å; P640-I680 HydrophobicContact CG-CG1 3.93Å
641	R	64.4	Low	56.2	Low	94 Å²	94	101.4 Å²	101.4	36%	0.355	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	13.3	172.4	-60.4	-177.4	177.9	-167.6	0.1	112.2	C639 C666 T683 N684	C639-R641 PolarHBondContact O-N 2.08Å; R641-C666 HydrophobicContact CB-CB 4.21Å; R641-T683 VanDerWaalsContact CZ-O 3.26Å; R641-T683 PolarHBondContact NH1-O 3.14Å; R641-T683 PolarHBondContact NH2-O 2.72Å; R641-N684 PolarHBondContact NH2-OD1 3.28Å
642	T	55.8	Low	54.7	Low	35 Å²	35	102.8 Å²	102.8	22%	0.215	55%	0.553	C	S	.	*	S	Bend	trans	-82.1	146.2	150.9	50.8	0	0	0	0	109.3	C639 C666	C639-T642 PolarHBondContact O-N 3.36Å; C639-T642 PolarHBondContact O-OG1 2.8Å; C639-T642 VanDerWaalsContact O-OG1 3.13Å; T642-C666 WeakPolarHBondContact CG2-O 3.3Å
643	E	40.8	Very low	53	Low	165 Å²	165	108.4 Å²	108.4	77%	0.771	58%	0.584	S	S	*	*			trans	65.1	78.6	169.9	-64.5	153.4	-136	0	0	116.2
644	K	38.8	Very low	51.4	Low	208 Å²	208	109.8 Å²	109.8	90%	0.904	59%	0.592	S	S	*	*			trans	-145.6	64.1	157	-90.3	-152.5	173.1	-165.5	0	111.8
645	L	32.2	Very low	49.8	Very low	165 Å²	165	108.9 Å²	108.9	86%	0.864	59%	0.592	S	S	*	*	S	Bend	trans	-175.5	103.5	164.6	-104.1	155.1	0	0	0	106.2
646	G	32.1	Very low	47.8	Very low	68 Å²	68	114.1 Å²	114.1	70%	0.701	62%	0.62	S	S	*	*	S	Bend	trans	166.6	13.6	-169.8	0	0	0	0	0	116.3
647	Q	32.5	Very low	45.8	Very low	179 Å²	179	122.2 Å²	122.2	84%	0.836	66%	0.657	S	S	*	*	S	Bend	trans	-157.2	160.1	171.6	-104.6	140.1	62.2	0	0	107.6
648	D	33.4	Very low	43.3	Very low	154 Å²	154	125.7 Å²	125.7	82%	0.824	68%	0.68	S	S	*	*	S	Bend	trans	72.7	152.9	-176.2	-52.5	-29.7	0	0	0	117.2
649	S	34.9	Very low	40.8	Very low	122 Å²	122	126.1 Å²	126.1	85%	0.853	70%	0.696	S	S	*	*			trans	65.8	60.6	177.7	60.3	0	0	0	0	118.5
650	S	32.2	Very low	38.6	Very low	110 Å²	110	135.5 Å²	135.5	77%	0.769	74%	0.739	S	S	*	*			trans	-80.2	110.1	140.3	44.6	0	0	0	0	108.8
651	N	34.3	Very low	36.7	Very low	145 Å²	145	140.4 Å²	140.4	78%	0.775	76%	0.755	S	S	*	*			trans	164.2	138.9	142.3	-85.1	-18.8	0	0	0	113.2
652	T	36.3	Very low	35.4	Very low	110 Å²	110	140.3 Å²	140.3	68%	0.675	77%	0.77	S	S	*	*			trans	50.3	97.9	149.2	59.4	0	0	0	0	120.2
653	D	35.2	Very low	34.8	Very low	138 Å²	138	144.4 Å²	144.4	74%	0.738	79%	0.794	S	S	*	*				69.8	133.8	115.3	-49.5	-29.2	0	0	0	123.3
654	N	34.5	Very low	35.4	Very low	146 Å²	146	143.8 Å²	143.8	78%	0.781	79%	0.789	S	S	*	*			trans	85.5	152.7	151.5	-65.4	-21.9	0	0	0	121.8
655	D	37.1	Very low	36.3	Very low	142 Å²	142	136.1 Å²	136.1	76%	0.759	76%	0.762	S	S	*	*			trans	68.5	74.3	161.1	-57.3	-22.5	0	0	0	119.7	H657	D655-H657 PolarHBondContact O-N 3.35Å
656	N	32.8	Very low	38.1	Very low	157 Å²	157	129.7 Å²	129.7	84%	0.84	73%	0.73	S	S	*	*			trans	12.3	102.7	131.2	-70.3	-48.2	0	0	0	117
657	H	39.2	Very low	39.8	Very low	188 Å²	188	128.7 Å²	128.7	87%	0.87	71%	0.707	S	S	*	*			trans	-151	147.3	136.9	-110.8	-69.3	0	0	0	113	D655 C659	D655-H657 PolarHBondContact O-N 3.35Å; H657-C659 PolarHBondContact O-N 2.9Å
658	T	30.4	Very low	41.9	Very low	129 Å²	129	120.2 Å²	120.2	79%	0.791	67%	0.667	S	S	*	*			trans	-69.5	110	-177	46.5	0	0	0	0	113.3
659	C	28.4	Very low	44.3	Very low	119 Å²	119	113.7 Å²	113.7	80%	0.804	63%	0.632	S	S	*	*			trans	-178.3	133.6	148.5	-109	0	0	0	0	109.5	H657	H657-C659 PolarHBondContact O-N 2.9Å
660	H	33.7	Very low	46.7	Very low	198 Å²	198	108.1 Å²	108.1	92%	0.917	59%	0.592	S	S	*	*			trans	-166.3	129.7	141.2	-110.7	-66.8	0	0	0	112.2
661	E	32.7	Very low	49.1	Very low	176 Å²	176	102.9 Å²	102.9	82%	0.822	56%	0.555	S	S	*	*			trans	-88.3	140	-175.4	-163.3	173	161.3	0	0	111.1	T663	E661-T663 PolarHBondContact O-N 3.44Å
662	S	37	Very low	51.4	Low	93 Å²	93	96 Å²	96	65%	0.65	52%	0.519	S	S	*	.			trans	-71	99.5	-169.2	66	0	0	0	0	112.8	K664	S662-K664 PolarHBondContact O-N 3.27Å
663	T	42.7	Very low	53.6	Low	120 Å²	120	94.2 Å²	94.2	74%	0.736	51%	0.509	S	S	*	.			trans	-71.6	86.5	-178	49.6	0	0	0	0	112.9	E661 S665	E661-T663 PolarHBondContact O-N 3.44Å; T663-S665 PolarHBondContact O-N 3.06Å
664	K	52.6	Low	55.9	Low	153 Å²	153	91.2 Å²	91.2	67%	0.665	49%	0.487	S	S	*	.			trans	-72.1	108.6	179	-66.8	172.5	-175.3	172.4	0	111.7	S662	S662-K664 PolarHBondContact O-N 3.27Å
665	S	58.2	Low	58.2	Low	46 Å²	46	84.7 Å²	84.7	32%	0.322	45%	0.453	S	S	.	.			trans	-65.6	136.5	174.8	61.8	0	0	0	0	112.5	T663 K667	T663-S665 PolarHBondContact O-N 3.06Å; S665-K667 PolarHBondContact O-N 3.17Å
666	C	69.2	Low	60.5	Low	31 Å²	31	81.4 Å²	81.4	21%	0.209	43%	0.429	C	S	.	.			trans	-85.5	106.9	-178.1	-171.8	0	0	0	0	112.6	C639 R641 T642 A668 H679	C639-C666 HydrophobicContact CB-CB 4.38Å; R641-C666 HydrophobicContact CB-CB 4.21Å; T642-C666 WeakPolarHBondContact CG2-O 3.3Å; C666-A668 VanDerWaalsContact C-N 3.25Å; C666-A668 PolarHBondContact O-N 3.45Å; C666-H679 VanDerWaalsContact SG-CE1 3.55Å; C666-H679 PolarHBondContact SG-NE2 3.42Å
667	K	69.6	Low	62.8	Low	47 Å²	47	79.4 Å²	79.4	20%	0.204	42%	0.415	C	S	.	.			trans	-81.2	22	180	-69.4	-169.3	172.6	-173.9	0	115.3	S665 H669 L707 Y713	S665-K667 PolarHBondContact O-N 3.17Å; K667-H669 PolarHBondContact O-CE1 2.77Å; K667-H669 PolarHBondContact O-N 3.19Å; K667-H669 PolarHBondContact O-ND1 3.08Å; K667-L707 PolarHBondContact NZ-O 3.26Å; K667-Y713 PolarHBondContact NZ-OH 2.98Å
668	A	76.7	Confident	64.7	Low	1 Å²	1	72.9 Å²	72.9	1%	0.008	39%	0.386	C	S	.	.			trans	-68.9	130.7	-178.9	0	0	0	0	0	111.9	C639 C666 F670 C704 T725	C639-A668 HydrophobicContact CB-CB 4.2Å; C639-A668 PolarHBondContact N-O 3.39Å; C666-A668 VanDerWaalsContact C-N 3.25Å; C666-A668 PolarHBondContact O-N 3.45Å; A668-F670 HydrophobicContact CB-CE1 4.23Å; A668-F670 HydrophobicContact CB-CE2 3.73Å; A668-F670 HydrophobicContact CB-CZ 3.4Å; A668-C704 HydrophobicContact CB-CB 4.3Å; A668-T725 HydrophobicContact CB-CG2 4.19Å
669	H	82.9	Confident	67.2	Low	17 Å²	17	66.9 Å²	66.9	8%	0.079	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.9	178.9	-70.6	71.3	0	0	0	108.7	V636 K667 I722 T725	V636-H669 HydrophobicContact CG1-CB 3.91Å; K667-H669 PolarHBondContact O-CE1 2.77Å; K667-H669 PolarHBondContact O-N 3.19Å; K667-H669 PolarHBondContact O-ND1 3.08Å; H669-I722 HydrophobicContact CB-CG1 3.99Å; H669-T725 VanDerWaalsContact O-CG2 3.29Å; H669-T725 WeakPolarHBondContact O-CG2 3.46Å; H669-T725 PolarHBondContact O-OG1 3.27Å; H669-T725 VanDerWaalsContact O-OG1 3.09Å
670	F	85.4	Confident	69.5	Low	4 Å²	4	62.3 Å²	62.3	2%	0.018	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.6	-170.7	-55.5	-81.8	0	0	0	112.4	L637 C639 A668 S672 L675 R676 H679	L637-F670 HydrophobicContact CB-CB 4.48Å; L637-F670 PolarHBondContact N-O 3.48Å; L637-F670 WeakPolarHBondContact O-CD2 3.38Å; L637-F670 PolarHBondContact O-N 2.93Å; C639-F670 HydrophobicContact CB-CE2 4.19Å; A668-F670 HydrophobicContact CB-CE1 4.23Å; A668-F670 HydrophobicContact CB-CE2 3.73Å; A668-F670 HydrophobicContact CB-CZ 3.4Å; F670-S672 VanDerWaalsContact C-N 3.34Å; F670-L675 HydrophobicContact CB-CB 4.48Å; F670-L675 HydrophobicContact CD1-CB 3.96Å; F670-R676 HydrophobicContact CB-CB 4Å; F670-R676 HydrophobicContact CD1-CB 4.46Å; F670-R676 HydrophobicContact CD2-CB 3.51Å; F670-R676 HydrophobicContact CD2-CG 3.64Å; F670-R676 HydrophobicContact CE2-CB 4.12Å; F670-R676 HydrophobicContact CE2-CG 3.97Å; F670-R676 HydrophobicContact CG-CB 3.72Å; F670-R676 HydrophobicContact CG-CG 4.37Å; F670-H679 HydrophobicContact CE1-CB 3.77Å; F670-H679 HydrophobicContact CE2-CB 4.44Å; F670-H679 AromaticContact CE2-CD2 3.95Å; F670-H679 HydrophobicContact CZ-CB 3.5Å; F670-H679 AromaticContact CZ-CD2 3.48Å; F670-H679 VanDerWaalsContact CZ-CD2 3.48Å; F670-H679 WeakPolarHBondContact CZ-CD2 3.42Å; F670-H679 AromaticContact CZ-CG 3.41Å; F670-H679 VanDerWaalsContact CZ-CG 3.41Å
671	S	82.8	Confident	71.4	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.29	C	S	.	.	S	Bend	trans	-68.5	-29.9	168	45.1	0	0	0	0	112.3	G622 H623 T626 E726	G622-S671 CarbonylContact C-O 3.42Å; G622-S671 WeakPolarHBondContact CA-O 3.38Å; G622-S671 VanDerWaalsContact O-O 3.1Å; H623-S671 PolarHBondContact N-O 2.76Å; T626-S671 WeakPolarHBondContact CG2-O 3.47Å; T626-S671 PolarHBondContact OG1-O 2.75Å; S671-E726 WeakPolarHBondContact CB-OE1 3.42Å; S671-E726 PolarHBondContact OG-OE1 3.25Å
672	S	82.6	Confident	73.2	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-129.6	153.6	-178	99.4	0	0	0	0	115.5	D619 F670 R674 L675 R676	D619-S672 VanDerWaalsContact OD1-CB 3.27Å; D619-S672 WeakPolarHBondContact OD1-CB 3.38Å; D619-S672 PolarHBondContact OD1-OG 3.33Å; F670-S672 VanDerWaalsContact C-N 3.34Å; S672-R674 PolarHBondContact O-N 3.09Å; S672-R674 PolarHBondContact OG-N 2.9Å; S672-R674 VanDerWaalsContact OG-N 3.14Å; S672-L675 PolarHBondContact OG-N 3.09Å; S672-R676 PolarHBondContact O-N 2.98Å
673	P	83.2	Confident	74.5	Confident	73 Å²	73	46.6 Å²	46.6	47%	0.474	24%	0.241	S	C	.	.	H	α-helix	trans	-61.6	-29.8	170.8	-21.2	31.9	0	0	0	113.4	L637 Q677	L637-P673 HydrophobicContact CD1-CB 4.17Å; L637-P673 HydrophobicContact CD1-CG 3.83Å; P673-Q677 WeakPolarHBondContact O-CB 3.45Å; P673-Q677 PolarHBondContact O-N 3.02Å
674	R	82	Confident	75.1	Confident	75 Å²	75	44.5 Å²	44.5	28%	0.283	23%	0.225	S	C	.	.	H	α-helix	trans	-73.4	-46.8	-178.2	164.1	171.3	126.8	115.8	-4.2	111.2	I618 D619 S672 R676 Q677 L678	I618-R674 HydrophobicContact CG2-CB 4.13Å; D619-R674 WeakPolarHBondContact OD1-CB 3.46Å; D619-R674 IonicContact OD1-NE 3.17Å; D619-R674 IonicContact OD2-CZ 2.72Å; D619-R674 IonicContact OD2-NE 2.69Å; D619-R674 PolarHBondContact OD2-NE 2.86Å; D619-R674 IonicContact OD2-NH2 2.65Å; D619-R674 PolarHBondContact OD2-NH2 2.89Å; D619-R674 VanDerWaalsContact OD2-NH2 3.14Å; S672-R674 PolarHBondContact O-N 3.09Å; S672-R674 PolarHBondContact OG-N 2.9Å; S672-R674 VanDerWaalsContact OG-N 3.14Å; R674-R676 VanDerWaalsContact C-N 3.3Å; R674-R676 PolarHBondContact O-N 2.96Å; R674-Q677 PolarHBondContact O-N 3.01Å; R674-Q677 VanDerWaalsContact O-N 3.14Å; R674-L678 HydrophobicContact CG-CD1 4.16Å; R674-L678 WeakPolarHBondContact O-CG 3.21Å; R674-L678 PolarHBondContact O-N 2.7Å
675	L	82.3	Confident	74.9	Confident	10 Å²	10	43.2 Å²	43.2	5%	0.052	23%	0.226	C	C	.	.	H	α-helix	trans	-58.3	-43.2	173.2	-69.3	171.4	0	0	0	111.3	F670 S672 Q677 L678 H679 A729 M735	F670-L675 HydrophobicContact CB-CB 4.48Å; F670-L675 HydrophobicContact CD1-CB 3.96Å; S672-L675 PolarHBondContact OG-N 3.09Å; L675-Q677 PolarHBondContact O-N 3.44Å; L675-L678 PolarHBondContact O-N 3.39Å; L675-H679 PolarHBondContact O-N 3.42Å; L675-A729 HydrophobicContact CD2-CB 4.45Å; L675-M735 HydrophobicContact CD1-SD 4.19Å; L675-M735 HydrophobicContact CD2-SD 3.67Å
676	R	85.5	Confident	74.5	Confident	72 Å²	72	46.6 Å²	46.6	27%	0.272	25%	0.245	S	C	.	.	H	α-helix	trans	-60.2	-42.9	173.7	-176.1	171.8	-174.3	-91.4	10.7	113	K638 F670 S672 R674 H679 I680	K638-R676 VanDerWaalsContact O-CZ 3.26Å; K638-R676 PolarHBondContact O-NE 3.3Å; K638-R676 PolarHBondContact O-NH2 2.89Å; F670-R676 HydrophobicContact CB-CB 4Å; F670-R676 HydrophobicContact CD1-CB 4.46Å; F670-R676 HydrophobicContact CD2-CB 3.51Å; F670-R676 HydrophobicContact CD2-CG 3.64Å; F670-R676 HydrophobicContact CE2-CB 4.12Å; F670-R676 HydrophobicContact CE2-CG 3.97Å; F670-R676 HydrophobicContact CG-CB 3.72Å; F670-R676 HydrophobicContact CG-CG 4.37Å; S672-R676 PolarHBondContact O-N 2.98Å; R674-R676 VanDerWaalsContact C-N 3.3Å; R674-R676 PolarHBondContact O-N 2.96Å; R676-H679 PolarHBondContact O-N 2.62Å; R676-I680 HydrophobicContact CG-CD1 3.92Å; R676-I680 WeakPolarHBondContact O-CD1 3.41Å; R676-I680 VanDerWaalsContact O-CG1 3.25Å; R676-I680 WeakPolarHBondContact O-CG1 3.31Å; R676-I680 PolarHBondContact O-N 3.38Å
677	Q	82.8	Confident	73.2	Confident	116 Å²	116	49.7 Å²	49.7	54%	0.542	26%	0.263	S	S	.	.	H	α-helix	trans	-69.4	-39.5	-179.9	-174.5	59.2	30.1	0	0	112.1	P673 R674 L675 I680 S681	P673-Q677 WeakPolarHBondContact O-CB 3.45Å; P673-Q677 PolarHBondContact O-N 3.02Å; R674-Q677 PolarHBondContact O-N 3.01Å; R674-Q677 VanDerWaalsContact O-N 3.14Å; L675-Q677 PolarHBondContact O-N 3.44Å; Q677-I680 PolarHBondContact O-N 3.48Å; Q677-S681 PolarHBondContact O-N 3.01Å; Q677-S681 PolarHBondContact O-OG 2.91Å
678	L	79.3	Confident	71.7	Confident	50 Å²	50	52.7 Å²	52.7	26%	0.262	29%	0.285	S	S	.	.	H	α-helix	trans	-58.7	-49.8	173.2	-70.1	166.7	0	0	0	110.5	R674 L675 I680 S681 M682 L734	R674-L678 HydrophobicContact CG-CD1 4.16Å; R674-L678 WeakPolarHBondContact O-CG 3.21Å; R674-L678 PolarHBondContact O-N 2.7Å; L675-L678 PolarHBondContact O-N 3.39Å; L678-I680 PolarHBondContact O-N 2.75Å; L678-S681 PolarHBondContact O-N 2.94Å; L678-S681 PolarHBondContact O-OG 3.11Å; L678-M682 PolarHBondContact O-N 2.88Å; L678-M682 VanDerWaalsContact O-N 3.09Å; L678-L734 HydrophobicContact CB-CD2 4.31Å; L678-L734 HydrophobicContact CD1-CD2 4.47Å; L678-L734 HydrophobicContact CD2-CD2 4.41Å
679	H	81	Confident	69.5	Low	4 Å²	4	59.5 Å²	59.5	2%	0.019	32%	0.322	C	S	.	.	H	α-helix	trans	-55.6	-45.5	174.4	170	74.2	0	0	0	113.7	C639 C666 F670 L675 R676 S681 T683 F702	C639-H679 PolarHBondContact SG-NE2 3.08Å; C666-H679 VanDerWaalsContact SG-CE1 3.55Å; C666-H679 PolarHBondContact SG-NE2 3.42Å; F670-H679 HydrophobicContact CE1-CB 3.77Å; F670-H679 HydrophobicContact CE2-CB 4.44Å; F670-H679 AromaticContact CE2-CD2 3.95Å; F670-H679 HydrophobicContact CZ-CB 3.5Å; F670-H679 AromaticContact CZ-CD2 3.48Å; F670-H679 VanDerWaalsContact CZ-CD2 3.48Å; F670-H679 WeakPolarHBondContact CZ-CD2 3.42Å; F670-H679 AromaticContact CZ-CG 3.41Å; F670-H679 VanDerWaalsContact CZ-CG 3.41Å; L675-H679 PolarHBondContact O-N 3.42Å; R676-H679 PolarHBondContact O-N 2.62Å; H679-S681 VanDerWaalsContact C-N 3.35Å; H679-S681 PolarHBondContact O-N 2.87Å; H679-T683 WeakPolarHBondContact O-CB 3.27Å; H679-T683 WeakPolarHBondContact O-CG2 3.36Å; H679-T683 PolarHBondContact O-N 2.75Å; H679-T683 VanDerWaalsContact O-N 3.1Å; H679-T683 PolarHBondContact O-OG1 2.9Å; H679-F702 HydrophobicContact CB-CE1 4.47Å; H679-F702 AromaticContact CE1-CE1 3.76Å; H679-F702 AromaticContact ND1-CD1 3.35Å; H679-F702 WeakPolarHBondContact ND1-CD1 3.31Å; H679-F702 AromaticContact ND1-CE1 3.05Å; H679-F702 WeakPolarHBondContact ND1-CE1 3.45Å
680	I	78.4	Confident	67	Low	22 Å²	22	66.6 Å²	66.6	11%	0.113	36%	0.36	C	S	.	.	H	α-helix	trans	-63.2	-41.3	178	-67.3	160.3	0	0	0	111	P640 R676 Q677 L678 T683 N684	P640-I680 HydrophobicContact CG-CD1 3.62Å; P640-I680 HydrophobicContact CG-CG1 3.93Å; R676-I680 HydrophobicContact CG-CD1 3.92Å; R676-I680 WeakPolarHBondContact O-CD1 3.41Å; R676-I680 VanDerWaalsContact O-CG1 3.25Å; R676-I680 WeakPolarHBondContact O-CG1 3.31Å; R676-I680 PolarHBondContact O-N 3.38Å; Q677-I680 PolarHBondContact O-N 3.48Å; L678-I680 PolarHBondContact O-N 2.75Å; I680-T683 PolarHBondContact O-N 3.2Å; I680-T683 PolarHBondContact O-OG1 3.05Å; I680-N684 PolarHBondContact O-N 2.92Å; I680-N684 VanDerWaalsContact O-N 3.09Å; I680-N684 PolarHBondContact O-OD1 3.49Å
681	S	73.7	Confident	64.6	Low	51 Å²	51	73.4 Å²	73.4	36%	0.357	40%	0.397	S	S	.	.	H	α-helix	trans	-63.1	-47.7	179.2	66.7	0	0	0	0	112.8	Q677 L678 H679 T683 N684	Q677-S681 PolarHBondContact O-N 3.01Å; Q677-S681 PolarHBondContact O-OG 2.91Å; L678-S681 PolarHBondContact O-N 2.94Å; L678-S681 PolarHBondContact O-OG 3.11Å; H679-S681 VanDerWaalsContact C-N 3.35Å; H679-S681 PolarHBondContact O-N 2.87Å; S681-T683 PolarHBondContact O-N 3.34Å; S681-N684 PolarHBondContact O-N 3.49Å
682	M	68.8	Low	62.2	Low	65 Å²	65	80 Å²	80	32%	0.32	43%	0.432	S	S	.	.	H	α-helix	trans	-62.1	-41.3	176.9	-75.6	-175.1	154.1	0	0	112.6	L678 N684 N685 F702 L734	L678-M682 PolarHBondContact O-N 2.88Å; L678-M682 VanDerWaalsContact O-N 3.09Å; M682-N684 VanDerWaalsContact C-N 3.35Å; M682-N684 PolarHBondContact O-N 3.28Å; M682-N685 PolarHBondContact O-N 3.36Å; M682-F702 HydrophobicContact SD-CB 4.24Å; M682-L734 HydrophobicContact CE-CD1 4.42Å; M682-L734 HydrophobicContact CE-CD2 3.68Å; M682-L734 HydrophobicContact CE-CG 4.18Å; M682-L734 HydrophobicContact SD-CD1 3.85Å; M682-L734 HydrophobicContact SD-CD2 4.05Å; M682-L734 HydrophobicContact SD-CG 4.26Å
683	T	64.3	Low	59.8	Low	22 Å²	22	87.2 Å²	87.2	14%	0.135	47%	0.47	C	S	.	.	H	α-helix	trans	-80.5	-10.5	-176.2	56.9	0	0	0	0	114.4	R641 H679 I680 S681 T686	R641-T683 VanDerWaalsContact CZ-O 3.26Å; R641-T683 PolarHBondContact NH1-O 3.14Å; R641-T683 PolarHBondContact NH2-O 2.72Å; H679-T683 WeakPolarHBondContact O-CB 3.27Å; H679-T683 WeakPolarHBondContact O-CG2 3.36Å; H679-T683 PolarHBondContact O-N 2.75Å; H679-T683 VanDerWaalsContact O-N 3.1Å; H679-T683 PolarHBondContact O-OG1 2.9Å; I680-T683 PolarHBondContact O-N 3.2Å; I680-T683 PolarHBondContact O-OG1 3.05Å; S681-T683 PolarHBondContact O-N 3.34Å; T683-T686 PolarHBondContact O-OG1 2.93Å
684	N	56.4	Low	57.3	Low	75 Å²	75	88.8 Å²	88.8	40%	0.401	48%	0.483	S	S	.	.	H	α-helix	trans	-78.5	-35.5	170.1	-77.2	-8.1	0	0	0	112.2	R641 I680 S681 M682 T686 T687	R641-N684 PolarHBondContact NH2-OD1 3.28Å; I680-N684 PolarHBondContact O-N 2.92Å; I680-N684 VanDerWaalsContact O-N 3.09Å; I680-N684 PolarHBondContact O-OD1 3.49Å; S681-N684 PolarHBondContact O-N 3.49Å; M682-N684 VanDerWaalsContact C-N 3.35Å; M682-N684 PolarHBondContact O-N 3.28Å; N684-T686 PolarHBondContact O-N 2.99Å; N684-T687 PolarHBondContact O-N 3.43Å; N684-T687 PolarHBondContact O-OG1 2.93Å
685	N	48.6	Very low	54.7	Low	127 Å²	127	90.1 Å²	90.1	68%	0.679	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-67.8	-19.9	-175.1	-69.8	-0.5	0	0	0	113.7	M682 T687	M682-N685 PolarHBondContact O-N 3.36Å; N685-T687 VanDerWaalsContact C-N 3.33Å
686	T	48.5	Very low	52.1	Low	116 Å²	116	97.5 Å²	97.5	71%	0.712	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-82.4	-4.3	178	50.2	0	0	0	0	114.3	T683 N684	T683-T686 PolarHBondContact O-OG1 2.93Å; N684-T686 PolarHBondContact O-N 2.99Å
687	T	43.1	Very low	49.4	Very low	97 Å²	97	102.4 Å²	102.4	60%	0.595	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-110.1	5.9	-172.3	36.3	0	0	0	0	115.7	N684 N685	N684-T687 PolarHBondContact O-N 3.43Å; N684-T687 PolarHBondContact O-OG1 2.93Å; N685-T687 VanDerWaalsContact C-N 3.33Å
688	T	37.6	Very low	46.7	Very low	110 Å²	110	101.9 Å²	101.9	68%	0.675	58%	0.582	S	S	*	*	S	Bend	trans	-134.3	23.2	-170.1	61.1	0	0	0	0	115.6
689	N	31.4	Very low	44.2	Very low	144 Å²	144	107 Å²	107	77%	0.77	61%	0.61	S	S	*	*			trans	-140.5	60.8	179.7	-126.3	8.1	0	0	0	114.1	N691	N689-N691 VanDerWaalsContact C-N 3.28Å; N689-N691 PolarHBondContact O-N 3.33Å; N689-N691 VanDerWaalsContact O-N 3.08Å
690	N	30.1	Very low	42.1	Very low	166 Å²	166	110.9 Å²	110.9	89%	0.888	64%	0.637	S	S	*	*			trans	-75.4	81	160.6	-82.3	-2.1	0	0	0	109.7
691	N	34.9	Very low	40.6	Very low	146 Å²	146	119 Å²	119	78%	0.781	67%	0.674	S	S	*	*			trans	-163.3	149.2	153.6	-101.6	-37.1	0	0	0	111.6	N689	N689-N691 VanDerWaalsContact C-N 3.28Å; N689-N691 PolarHBondContact O-N 3.33Å; N689-N691 VanDerWaalsContact O-N 3.08Å
692	N	32.6	Very low	39.4	Very low	139 Å²	139	118 Å²	118	74%	0.743	66%	0.664	S	S	*	*			trans	-79.8	157.5	-160	-56.4	-53	0	0	0	115.2
693	N	31.8	Very low	38.6	Very low	151 Å²	151	119.1 Å²	119.1	81%	0.807	68%	0.678	S	S	*	*			trans	91	148.3	158.5	-53.1	-29.2	0	0	0	119.4
694	S	30.9	Very low	38	Very low	107 Å²	107	118.9 Å²	118.9	75%	0.748	68%	0.677	S	S	*	*			trans	54.4	94.9	176.4	48.6	0	0	0	0	116.4
695	S	26.9	Very low	37.7	Very low	103 Å²	103	119.1 Å²	119.1	72%	0.72	68%	0.683	S	S	*	*				84.8	139.8	67.5	70	0	0	0	0	114.3
696	I	27.4	Very low	37.5	Very low	165 Å²	165	117.4 Å²	117.4	85%	0.846	67%	0.673	S	S	*	*			trans	83.2	142.9	-169.4	-50.2	164	0	0	0	111.9
697	L	28.7	Very low	37.3	Very low	175 Å²	175	118.7 Å²	118.7	92%	0.916	68%	0.675	S	S	*	*			trans	82.3	67.7	-172.9	-59.8	165.5	0	0	0	117
698	S	26.6	Very low	37	Very low	104 Å²	104	119.9 Å²	119.9	73%	0.727	67%	0.671	S	S	*	*			trans	-91.8	159.8	157.1	47.9	0	0	0	0	111.9
699	N	27.8	Very low	37.2	Very low	159 Å²	159	120.4 Å²	120.4	85%	0.85	67%	0.67	S	S	*	*	S	Bend	trans	72.4	70.2	170.5	-56.9	-3.5	0	0	0	118.4
700	S	35.1	Very low	37.7	Very low	85 Å²	85	123.1 Å²	123.1	59%	0.594	68%	0.678	S	S	*	*			trans	-166.9	50.6	149.4	42	0	0	0	0	113.2	F702	S700-F702 PolarHBondContact O-N 2.88Å
701	Q	46.9	Very low	38.6	Very low	192 Å²	192	123.2 Å²	123.2	90%	0.897	67%	0.671	S	S	*	*			trans	-72.7	96.5	174.3	-73.6	-171.7	-3.8	0	0	111.2	S703	Q701-S703 PolarHBondContact O-N 2.85Å
702	F	50.4	Low	39.4	Very low	29 Å²	29	124 Å²	124	13%	0.127	68%	0.675	C	S	.	*			trans	-62.5	108.2	169.2	-176.5	-82.3	0	0	0	109.9	H679 M682 S700 C704 A728 A729 L734	H679-F702 HydrophobicContact CB-CE1 4.47Å; H679-F702 AromaticContact CE1-CE1 3.76Å; H679-F702 AromaticContact ND1-CD1 3.35Å; H679-F702 WeakPolarHBondContact ND1-CD1 3.31Å; H679-F702 AromaticContact ND1-CE1 3.05Å; H679-F702 WeakPolarHBondContact ND1-CE1 3.45Å; M682-F702 HydrophobicContact SD-CB 4.24Å; S700-F702 PolarHBondContact O-N 2.88Å; F702-C704 WeakPolarHBondContact CE1-SG 3.27Å; F702-C704 VanDerWaalsContact CZ-SG 3.54Å; F702-A728 HydrophobicContact CE2-CB 4.13Å; F702-A728 HydrophobicContact CZ-CB 4.44Å; F702-A729 HydrophobicContact CE2-CB 4.31Å; F702-L734 HydrophobicContact CD2-CD1 3.87Å; F702-L734 HydrophobicContact CE2-CD1 4.17Å
703	S	51.9	Low	40.6	Very low	89 Å²	89	120.8 Å²	120.8	62%	0.622	65%	0.653	S	S	*	*			trans	-130.7	107.7	179.6	-170.1	0	0	0	0	109.5	Q701	Q701-S703 PolarHBondContact O-N 2.85Å
704	C	50.8	Low	42.2	Very low	17 Å²	17	119.2 Å²	119.2	12%	0.115	64%	0.644	C	S	.	*			trans	-69.9	136.9	175	-78.2	0	0	0	0	110.6	A668 F702 I706	A668-C704 HydrophobicContact CB-CB 4.3Å; F702-C704 WeakPolarHBondContact CE1-SG 3.27Å; F702-C704 VanDerWaalsContact CZ-SG 3.54Å; C704-I706 WeakPolarHBondContact O-CG1 3.21Å; C704-I706 PolarHBondContact O-N 3.44Å
705	P	50.2	Low	44	Very low	81 Å²	81	116.2 Å²	116.2	53%	0.526	62%	0.623	S	S	.	*			trans	-52.9	126.7	177.7	-28.6	35.8	0	0	0	112.8
706	I	43.6	Very low	46.2	Very low	91 Å²	91	115.7 Å²	115.7	47%	0.467	61%	0.612	S	S	.	*			trans	-98.9	110	-176.1	-55.7	179.3	0	0	0	109.4	C704 F708	C704-I706 WeakPolarHBondContact O-CG1 3.21Å; C704-I706 PolarHBondContact O-N 3.44Å; I706-F708 HydrophobicContact CG2-CD2 3.76Å; I706-F708 HydrophobicContact CG2-CE2 3.31Å; I706-F708 HydrophobicContact CG2-CZ 4Å
707	L	45.4	Very low	48.6	Very low	143 Å²	143	112 Å²	112	75%	0.749	59%	0.591	S	S	*	*			trans	-123.5	123	166.1	-86.7	163.8	0	0	0	110.6	K667	K667-L707 PolarHBondContact NZ-O 3.26Å
708	F	36.4	Very low	50.9	Low	121 Å²	121	104.4 Å²	104.4	53%	0.531	55%	0.551	S	S	.	*			trans	-95.9	125.6	175.4	-71.4	-84.2	0	0	0	110.3	I706	I706-F708 HydrophobicContact CG2-CD2 3.76Å; I706-F708 HydrophobicContact CG2-CE2 3.31Å; I706-F708 HydrophobicContact CG2-CZ 4Å
709	N	42.3	Very low	53.6	Low	121 Å²	121	103 Å²	103	65%	0.647	53%	0.532	S	S	*	.			trans	-151.2	144.3	151.6	-102.2	-41.7	0	0	0	106.6	K711	N709-K711 PolarHBondContact O-N 2.93Å
710	E	41.4	Very low	56.2	Low	202 Å²	202	99.6 Å²	99.6	94%	0.944	51%	0.514	S	S	*	.			trans	-98	63.4	179.8	-62.7	-173.1	139.4	0	0	109.7
711	K	48.2	Very low	58.5	Low	167 Å²	167	97.3 Å²	97.3	73%	0.726	50%	0.495	S	S	*	.	S	Bend	trans	-139.4	146.5	178.5	-65.2	-171.2	177	-177.1	0	109.6	N709 Y713	N709-K711 PolarHBondContact O-N 2.93Å; K711-Y713 PolarHBondContact O-N 3.05Å
712	D	52.5	Low	60.3	Low	163 Å²	163	88.1 Å²	88.1	87%	0.872	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-57.1	119.3	179.2	-63.4	-67.1	0	0	0	110.9	L714	D712-L714 PolarHBondContact O-N 3.01Å
713	Y	58	Low	62.1	Low	72 Å²	72	87.4 Å²	87.4	28%	0.282	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-72.3	118	-177.9	-70.5	-84.1	0	0	0	110	K667 K711 Q717 L721	K667-Y713 PolarHBondContact NZ-OH 2.98Å; K711-Y713 PolarHBondContact O-N 3.05Å; Y713-Q717 HydrophobicContact CD1-CB 4.1Å; Y713-L721 HydrophobicContact CD1-CD1 4.24Å; Y713-L721 HydrophobicContact CE1-CD1 4.18Å
714	L	65.4	Low	63.6	Low	117 Å²	117	87.7 Å²	87.7	61%	0.613	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-56.6	149	169.5	-78.1	144.4	0	0	0	110.2	D712 D716 Q717 I718	D712-L714 PolarHBondContact O-N 3.01Å; L714-D716 PolarHBondContact O-N 3.18Å; L714-D716 VanDerWaalsContact O-N 3.09Å; L714-Q717 HydrophobicContact CB-CG 4.21Å; L714-Q717 WeakPolarHBondContact O-CA 3.49Å; L714-Q717 WeakPolarHBondContact O-CB 3.46Å; L714-Q717 PolarHBondContact O-N 3.38Å; L714-I718 PolarHBondContact O-N 2.95Å
715	S	68.6	Low	65.2	Low	44 Å²	44	87.1 Å²	87.1	31%	0.308	44%	0.437	S	S	.	.	H	α-helix	trans	-48.1	-45.7	-174.6	179.9	0	0	0	0	112.7	Q717 I718 K719	S715-Q717 VanDerWaalsContact C-N 3.33Å; S715-Q717 PolarHBondContact O-N 2.83Å; S715-I718 PolarHBondContact O-N 3.18Å; S715-I718 VanDerWaalsContact O-N 3.09Å; S715-K719 WeakPolarHBondContact O-CG 3.49Å; S715-K719 PolarHBondContact O-N 3.36Å; S715-K719 VanDerWaalsContact OG-CE 3.26Å; S715-K719 WeakPolarHBondContact OG-CE 3.32Å
716	D	73.6	Confident	67	Low	92 Å²	92	83.3 Å²	83.3	49%	0.492	41%	0.412	S	S	.	.	H	α-helix	trans	-68.7	-27.3	-178.6	-52.3	-63.4	0	0	0	113.8	L714 I718 K719 N720	L714-D716 PolarHBondContact O-N 3.18Å; L714-D716 VanDerWaalsContact O-N 3.09Å; D716-I718 VanDerWaalsContact C-N 3.29Å; D716-I718 PolarHBondContact O-N 3.09Å; D716-K719 PolarHBondContact O-N 3.1Å; D716-K719 WeakPolarHBondContact OD1-CD 3.17Å; D716-K719 WeakPolarHBondContact OD1-CE 3.32Å; D716-K719 IonicContact OD1-NZ 2.76Å; D716-K719 PolarHBondContact OD1-NZ 3.04Å; D716-N720 WeakPolarHBondContact O-CB 3.45Å; D716-N720 VanDerWaalsContact O-CG 3.25Å; D716-N720 PolarHBondContact O-N 3.03Å; D716-N720 PolarHBondContact O-ND2 3.08Å
717	Q	76.5	Confident	69	Low	88 Å²	88	81.4 Å²	81.4	41%	0.411	40%	0.402	S	S	.	.	H	α-helix	trans	-66.9	-34.8	172	-60.9	176.4	-8.9	0	0	111.1	Y713 L714 S715 N720 L721	Y713-Q717 HydrophobicContact CD1-CB 4.1Å; L714-Q717 HydrophobicContact CB-CG 4.21Å; L714-Q717 WeakPolarHBondContact O-CA 3.49Å; L714-Q717 WeakPolarHBondContact O-CB 3.46Å; L714-Q717 PolarHBondContact O-N 3.38Å; S715-Q717 VanDerWaalsContact C-N 3.33Å; S715-Q717 PolarHBondContact O-N 2.83Å; Q717-N720 PolarHBondContact O-N 3.18Å; Q717-L721 WeakPolarHBondContact O-CG 3.43Å; Q717-L721 PolarHBondContact O-N 3.07Å
718	I	77.3	Confident	70.8	Confident	15 Å²	15	75.2 Å²	75.2	8%	0.077	37%	0.372	C	S	.	.	H	α-helix	trans	-74.7	-36.6	175.4	-55.9	173.5	0	0	0	110.6	F632 L633 V636 L714 S715 D716 N720 L721 I722	F632-I718 HydrophobicContact CE1-CB 3.74Å; F632-I718 HydrophobicContact CE1-CD1 4.19Å; F632-I718 HydrophobicContact CE1-CG2 3.77Å; F632-I718 HydrophobicContact CZ-CB 3.76Å; F632-I718 HydrophobicContact CZ-CG2 3.68Å; L633-I718 HydrophobicContact CD2-CD1 3.5Å; V636-I718 HydrophobicContact CG1-CG2 4.01Å; V636-I718 HydrophobicContact CG2-CG2 4.37Å; L714-I718 PolarHBondContact O-N 2.95Å; S715-I718 PolarHBondContact O-N 3.18Å; S715-I718 VanDerWaalsContact O-N 3.09Å; D716-I718 VanDerWaalsContact C-N 3.29Å; D716-I718 PolarHBondContact O-N 3.09Å; I718-N720 VanDerWaalsContact C-N 3.31Å; I718-N720 PolarHBondContact O-N 3.37Å; I718-L721 PolarHBondContact O-N 3.22Å; I718-I722 HydrophobicContact CG2-CD1 4.29Å; I718-I722 WeakPolarHBondContact O-CG1 3.29Å; I718-I722 PolarHBondContact O-N 3.09Å
719	K	82.6	Confident	72.9	Confident	74 Å²	74	69.6 Å²	69.6	32%	0.322	35%	0.348	S	S	.	.	H	α-helix	trans	-58.1	-44.5	170.5	-61.8	174.8	-162.6	160.8	0	111.2	L627 F632 S715 D716 I722 L723	L627-K719 HydrophobicContact CD2-CB 4.19Å; L627-K719 HydrophobicContact CD2-CD 4.42Å; L627-K719 HydrophobicContact CD2-CG 3.76Å; F632-K719 HydrophobicContact CE2-CD 4.47Å; F632-K719 HydrophobicContact CE2-CG 3.59Å; F632-K719 HydrophobicContact CZ-CG 3.81Å; S715-K719 WeakPolarHBondContact O-CG 3.49Å; S715-K719 PolarHBondContact O-N 3.36Å; S715-K719 VanDerWaalsContact OG-CE 3.26Å; S715-K719 WeakPolarHBondContact OG-CE 3.32Å; D716-K719 PolarHBondContact O-N 3.1Å; D716-K719 WeakPolarHBondContact OD1-CD 3.17Å; D716-K719 WeakPolarHBondContact OD1-CE 3.32Å; D716-K719 IonicContact OD1-NZ 2.76Å; D716-K719 PolarHBondContact OD1-NZ 3.04Å; K719-I722 PolarHBondContact O-N 2.97Å; K719-L723 PolarHBondContact O-N 3.49Å
720	N	82.9	Confident	74.9	Confident	88 Å²	88	64.5 Å²	64.5	47%	0.471	32%	0.32	S	S	.	.	H	α-helix	trans	-65.6	-40.5	175.7	-70.4	-17.9	0	0	0	112.2	D716 Q717 I718 I722 L723 H724	D716-N720 WeakPolarHBondContact O-CB 3.45Å; D716-N720 VanDerWaalsContact O-CG 3.25Å; D716-N720 PolarHBondContact O-N 3.03Å; D716-N720 PolarHBondContact O-ND2 3.08Å; Q717-N720 PolarHBondContact O-N 3.18Å; I718-N720 VanDerWaalsContact C-N 3.31Å; I718-N720 PolarHBondContact O-N 3.37Å; N720-I722 PolarHBondContact O-N 3.11Å; N720-L723 PolarHBondContact O-N 3.04Å; N720-H724 PolarHBondContact O-CD2 2.83Å; N720-H724 PolarHBondContact O-N 3.49Å
721	L	83.1	Confident	76.8	Confident	37 Å²	37	62.2 Å²	62.2	19%	0.194	31%	0.31	C	S	.	.	H	α-helix	trans	-60.3	-43.5	173.1	-76.7	165.6	0	0	0	112.1	Y713 Q717 I718 H724 T725	Y713-L721 HydrophobicContact CD1-CD1 4.24Å; Y713-L721 HydrophobicContact CE1-CD1 4.18Å; Q717-L721 WeakPolarHBondContact O-CG 3.43Å; Q717-L721 PolarHBondContact O-N 3.07Å; I718-L721 PolarHBondContact O-N 3.22Å; L721-H724 PolarHBondContact O-N 3.22Å; L721-T725 WeakPolarHBondContact O-CG2 3.45Å; L721-T725 PolarHBondContact O-N 3.42Å; L721-T725 VanDerWaalsContact O-N 3.08Å
722	I	85.7	Confident	78.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-50.2	175.2	-67.2	162.1	0	0	0	110.2	L627 F632 V636 H669 I718 K719 N720 H724 T725 E726	L627-I722 HydrophobicContact CD1-CG2 4.33Å; F632-I722 HydrophobicContact CE2-CD1 4.5Å; F632-I722 HydrophobicContact CZ-CD1 4.37Å; V636-I722 HydrophobicContact CG1-CD1 3.9Å; V636-I722 HydrophobicContact CG1-CG1 4.27Å; V636-I722 HydrophobicContact CG2-CD1 3.73Å; H669-I722 HydrophobicContact CB-CG1 3.99Å; I718-I722 HydrophobicContact CG2-CD1 4.29Å; I718-I722 WeakPolarHBondContact O-CG1 3.29Å; I718-I722 PolarHBondContact O-N 3.09Å; K719-I722 PolarHBondContact O-N 2.97Å; N720-I722 PolarHBondContact O-N 3.11Å; I722-H724 VanDerWaalsContact C-N 3.3Å; I722-H724 PolarHBondContact O-N 3.16Å; I722-T725 WeakPolarHBondContact O-CA 3.24Å; I722-T725 PolarHBondContact O-N 2.88Å; I722-T725 PolarHBondContact O-OG1 3.26Å; I722-E726 HydrophobicContact CG2-CG 4.47Å; I722-E726 PolarHBondContact O-N 3.3Å
723	L	86.8	Confident	79.1	Confident	14 Å²	14	51.1 Å²	51.1	7%	0.073	28%	0.276	C	S	.	.	H	α-helix	trans	-57.2	-41	176.5	174.9	67.8	0	0	0	112.1	K719 N720 T725 E726 I727 H754	K719-L723 PolarHBondContact O-N 3.49Å; N720-L723 PolarHBondContact O-N 3.04Å; L723-T725 VanDerWaalsContact C-N 3.29Å; L723-T725 PolarHBondContact O-N 3.17Å; L723-E726 PolarHBondContact O-N 2.84Å; L723-E726 VanDerWaalsContact O-N 3.16Å; L723-I727 HydrophobicContact CD1-CD1 4.05Å; L723-I727 HydrophobicContact CD1-CG1 4.24Å; L723-I727 HydrophobicContact CD2-CD1 4.48Å; L723-I727 HydrophobicContact CG-CD1 3.87Å; L723-I727 HydrophobicContact CG-CG1 4.45Å; L723-I727 WeakPolarHBondContact O-CG1 3.38Å; L723-I727 PolarHBondContact O-N 2.97Å; L723-H754 VanDerWaalsContact CD2-NE2 3.28Å; L723-H754 WeakPolarHBondContact CD2-NE2 3.39Å
724	H	85.3	Confident	79.7	Confident	94 Å²	94	49.4 Å²	49.4	44%	0.435	27%	0.272	S	S	.	.	H	α-helix	trans	-63	-32.9	173.8	-75.8	-58.5	0	0	0	112.7	N720 L721 I722 A728	N720-H724 PolarHBondContact O-CD2 2.83Å; N720-H724 PolarHBondContact O-N 3.49Å; L721-H724 PolarHBondContact O-N 3.22Å; I722-H724 VanDerWaalsContact C-N 3.3Å; I722-H724 PolarHBondContact O-N 3.16Å; H724-A728 VanDerWaalsContact O-CB 3.31Å; H724-A728 WeakPolarHBondContact O-CB 3.39Å; H724-A728 PolarHBondContact O-N 3.09Å
725	T	84.5	Confident	80.2	Confident	6 Å²	6	44.9 Å²	44.9	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-71.5	-35.7	171.3	75.3	0	0	0	0	112.9	A668 H669 L721 I722 L723 A728 A729	A668-T725 HydrophobicContact CB-CG2 4.19Å; H669-T725 VanDerWaalsContact O-CG2 3.29Å; H669-T725 WeakPolarHBondContact O-CG2 3.46Å; H669-T725 PolarHBondContact O-OG1 3.27Å; H669-T725 VanDerWaalsContact O-OG1 3.09Å; L721-T725 WeakPolarHBondContact O-CG2 3.45Å; L721-T725 PolarHBondContact O-N 3.42Å; L721-T725 VanDerWaalsContact O-N 3.08Å; I722-T725 WeakPolarHBondContact O-CA 3.24Å; I722-T725 PolarHBondContact O-N 2.88Å; I722-T725 PolarHBondContact O-OG1 3.26Å; L723-T725 VanDerWaalsContact C-N 3.29Å; L723-T725 PolarHBondContact O-N 3.17Å; T725-A728 PolarHBondContact O-N 3.11Å; T725-A729 VanDerWaalsContact O-CB 3.29Å; T725-A729 WeakPolarHBondContact O-CB 3.48Å; T725-A729 PolarHBondContact O-N 2.84Å
726	E	86.6	Confident	80.4	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-67.7	-41.2	176.7	-68.3	175.6	167.3	0	0	111	R609 S671 I722 L723 A729 D730 M735	R609-E726 IonicContact CZ-OE2 2.95Å; R609-E726 IonicContact NE-OE1 3.31Å; R609-E726 IonicContact NE-OE2 3.23Å; R609-E726 PolarHBondContact NE-OE2 2.71Å; R609-E726 IonicContact NH2-OE2 3.4Å; R609-E726 PolarHBondContact NH2-OE2 3.28Å; S671-E726 WeakPolarHBondContact CB-OE1 3.42Å; S671-E726 PolarHBondContact OG-OE1 3.25Å; I722-E726 HydrophobicContact CG2-CG 4.47Å; I722-E726 PolarHBondContact O-N 3.3Å; L723-E726 PolarHBondContact O-N 2.84Å; L723-E726 VanDerWaalsContact O-N 3.16Å; E726-A729 PolarHBondContact O-N 2.67Å; E726-D730 WeakPolarHBondContact O-CB 3.34Å; E726-D730 PolarHBondContact O-N 3.04Å; E726-M735 HydrophobicContact CB-SD 4.31Å; E726-M735 HydrophobicContact CG-SD 4.48Å
727	I	85.6	Confident	80.8	Confident	50 Å²	50	40.3 Å²	40.3	26%	0.256	22%	0.22	S	C	.	.	H	α-helix	trans	-64.5	-45.1	173	-67.7	167.1	0	0	0	110.9	L723 A729 D730 Q731 L737	L723-I727 HydrophobicContact CD1-CD1 4.05Å; L723-I727 HydrophobicContact CD1-CG1 4.24Å; L723-I727 HydrophobicContact CD2-CD1 4.48Å; L723-I727 HydrophobicContact CG-CD1 3.87Å; L723-I727 HydrophobicContact CG-CG1 4.45Å; L723-I727 WeakPolarHBondContact O-CG1 3.38Å; L723-I727 PolarHBondContact O-N 2.97Å; I727-A729 VanDerWaalsContact C-N 3.3Å; I727-A729 PolarHBondContact O-N 2.93Å; I727-D730 PolarHBondContact O-N 3.28Å; I727-Q731 HydrophobicContact CG2-CG 4.47Å; I727-Q731 WeakPolarHBondContact O-CB 3.26Å; I727-Q731 WeakPolarHBondContact O-CG 3.28Å; I727-Q731 PolarHBondContact O-N 2.77Å; I727-L737 HydrophobicContact CG1-CD2 3.92Å
728	A	83.5	Confident	81.2	Confident	13 Å²	13	36.1 Å²	36.1	11%	0.107	20%	0.2	C	C	.	.	H	α-helix	trans	-63.3	-36.1	176.9	0	0	0	0	0	112.4	F702 H724 T725 S732	F702-A728 HydrophobicContact CE2-CB 4.13Å; F702-A728 HydrophobicContact CZ-CB 4.44Å; H724-A728 VanDerWaalsContact O-CB 3.31Å; H724-A728 WeakPolarHBondContact O-CB 3.39Å; H724-A728 PolarHBondContact O-N 3.09Å; T725-A728 PolarHBondContact O-N 3.11Å; A728-S732 WeakPolarHBondContact O-CB 3.2Å; A728-S732 PolarHBondContact O-N 3.26Å; A728-S732 PolarHBondContact O-OG 3.35Å
729	A	81.5	Confident	81.6	Confident	4 Å²	4	35.6 Å²	35.6	3%	0.033	20%	0.197	C	C	.	.	H	α-helix	trans	-69.1	-39	174.9	0	0	0	0	0	112.5	L675 F702 T725 E726 I727 S732 G733 L734 M735	L675-A729 HydrophobicContact CD2-CB 4.45Å; F702-A729 HydrophobicContact CE2-CB 4.31Å; T725-A729 VanDerWaalsContact O-CB 3.29Å; T725-A729 WeakPolarHBondContact O-CB 3.48Å; T725-A729 PolarHBondContact O-N 2.84Å; E726-A729 PolarHBondContact O-N 2.67Å; I727-A729 VanDerWaalsContact C-N 3.3Å; I727-A729 PolarHBondContact O-N 2.93Å; A729-S732 CarbonylContact O-C 3.56Å; A729-S732 PolarHBondContact O-N 2.83Å; A729-S732 PolarHBondContact O-OG 3.48Å; A729-S732 VanDerWaalsContact O-OG 3.13Å; A729-G733 PolarHBondContact O-N 2.92Å; A729-G733 VanDerWaalsContact O-N 3.14Å; A729-L734 HydrophobicContact CB-CB 4.1Å; A729-L734 PolarHBondContact O-N 3.13Å; A729-M735 HydrophobicContact CB-CG 3.81Å; A729-M735 HydrophobicContact CB-SD 3.74Å
730	D	83.3	Confident	81.6	Confident	13 Å²	13	34 Å²	34	7%	0.07	20%	0.195	C	C	.	.	H	α-helix	trans	-68.2	-36.2	174.8	176.1	75.8	0	0	0	112.8	K582 E726 I727 G733 M735 I736 L737	K582-D730 PolarHBondContact NZ-O 3.44Å; K582-D730 IonicContact NZ-OD1 3.67Å; K582-D730 PolarHBondContact NZ-OD1 3.43Å; K582-D730 IonicContact NZ-OD2 3.19Å; K582-D730 PolarHBondContact NZ-OD2 2.89Å; E726-D730 WeakPolarHBondContact O-CB 3.34Å; E726-D730 PolarHBondContact O-N 3.04Å; I727-D730 PolarHBondContact O-N 3.28Å; D730-G733 PolarHBondContact O-N 3.44Å; D730-M735 WeakPolarHBondContact CA-O 3.42Å; D730-M735 HydrophobicContact CB-CG 4.4Å; D730-I736 WeakPolarHBondContact OD1-CA 3.47Å; D730-L737 HydrophobicContact CB-CB 3.73Å; D730-L737 PolarHBondContact OD1-N 3.08Å
731	Q	81.1	Confident	81.4	Confident	154 Å²	154	29.9 Å²	29.9	72%	0.72	17%	0.173	S	C	*	.	H	α-helix	trans	-68.3	-34.5	171.7	-73.5	175	-13.6	0	0	112.3	I727 G733	I727-Q731 HydrophobicContact CG2-CG 4.47Å; I727-Q731 WeakPolarHBondContact O-CB 3.26Å; I727-Q731 WeakPolarHBondContact O-CG 3.28Å; I727-Q731 PolarHBondContact O-N 2.77Å; Q731-G733 VanDerWaalsContact C-N 3.32Å
732	S	76.1	Confident	81	Confident	32 Å²	32	30.4 Å²	30.4	22%	0.224	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	3.8	176.7	75.2	0	0	0	0	114.3	A728 A729 L734	A728-S732 WeakPolarHBondContact O-CB 3.2Å; A728-S732 PolarHBondContact O-N 3.26Å; A728-S732 PolarHBondContact O-OG 3.35Å; A729-S732 CarbonylContact O-C 3.56Å; A729-S732 PolarHBondContact O-N 2.83Å; A729-S732 PolarHBondContact O-OG 3.48Å; A729-S732 VanDerWaalsContact O-OG 3.13Å; S732-L734 PolarHBondContact O-N 3.48Å; S732-L734 WeakPolarHBondContact OG-CD1 3.48Å; S732-L734 WeakPolarHBondContact OG-CG 3.4Å
733	G	72.2	Confident	80.6	Confident	65 Å²	65	33.2 Å²	33.2	67%	0.67	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.4	16.1	-178.2	0	0	0	0	0	115.4	A729 D730 Q731 M735	A729-G733 PolarHBondContact O-N 2.92Å; A729-G733 VanDerWaalsContact O-N 3.14Å; D730-G733 PolarHBondContact O-N 3.44Å; Q731-G733 VanDerWaalsContact C-N 3.32Å; G733-M735 VanDerWaalsContact C-N 3.33Å
734	L	71.9	Confident	80.3	Confident	36 Å²	36	35.2 Å²	35.2	19%	0.188	21%	0.208	C	C	.	.	S	Bend	trans	-76.1	-22.3	176.6	-77.4	175.9	0	0	0	112.9	L678 M682 F702 A729 S732	L678-L734 HydrophobicContact CB-CD2 4.31Å; L678-L734 HydrophobicContact CD1-CD2 4.47Å; L678-L734 HydrophobicContact CD2-CD2 4.41Å; M682-L734 HydrophobicContact CE-CD1 4.42Å; M682-L734 HydrophobicContact CE-CD2 3.68Å; M682-L734 HydrophobicContact CE-CG 4.18Å; M682-L734 HydrophobicContact SD-CD1 3.85Å; M682-L734 HydrophobicContact SD-CD2 4.05Å; M682-L734 HydrophobicContact SD-CG 4.26Å; F702-L734 HydrophobicContact CD2-CD1 3.87Å; F702-L734 HydrophobicContact CE2-CD1 4.17Å; A729-L734 HydrophobicContact CB-CB 4.1Å; A729-L734 PolarHBondContact O-N 3.13Å; S732-L734 PolarHBondContact O-N 3.48Å; S732-L734 WeakPolarHBondContact OG-CD1 3.48Å; S732-L734 WeakPolarHBondContact OG-CG 3.4Å
735	M	74.9	Confident	79.9	Confident	23 Å²	23	35.4 Å²	35.4	11%	0.113	22%	0.22	C	C	.	.	S	Bend	trans	-150.4	171.2	174.3	67.2	-172.3	-64.6	0	0	109.6	L675 E726 A729 D730 G733	L675-M735 HydrophobicContact CD1-SD 4.19Å; L675-M735 HydrophobicContact CD2-SD 3.67Å; E726-M735 HydrophobicContact CB-SD 4.31Å; E726-M735 HydrophobicContact CG-SD 4.48Å; A729-M735 HydrophobicContact CB-CG 3.81Å; A729-M735 HydrophobicContact CB-SD 3.74Å; D730-M735 WeakPolarHBondContact CA-O 3.42Å; D730-M735 HydrophobicContact CB-CG 4.4Å; G733-M735 VanDerWaalsContact C-N 3.33Å
736	I	74.3	Confident	79.4	Confident	36 Å²	36	42.1 Å²	42.1	19%	0.185	25%	0.245	C	C	.	.			trans	-109.5	119.9	163.6	-60	175.2	0	0	0	106.7	L586 F612 D730 V749	L586-I736 HydrophobicContact CD1-CG2 4.05Å; L586-I736 HydrophobicContact CD2-CD1 4.07Å; L586-I736 HydrophobicContact CD2-CG2 4.37Å; L586-I736 HydrophobicContact CG-CD1 4.31Å; L586-I736 HydrophobicContact CG-CG2 4.34Å; F612-I736 HydrophobicContact CD2-CB 4.3Å; F612-I736 HydrophobicContact CE2-CG2 4.46Å; D730-I736 WeakPolarHBondContact OD1-CA 3.47Å; I736-V749 HydrophobicContact CG2-CG1 4.13Å
737	L	81.7	Confident	79	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.021	26%	0.262	C	S	.	.			trans	-87.5	109.5	174.8	-178.4	61.9	0	0	0	109.3	I727 D730 Y739 V753	I727-L737 HydrophobicContact CG1-CD2 3.92Å; D730-L737 HydrophobicContact CB-CB 3.73Å; D730-L737 PolarHBondContact OD1-N 3.08Å; L737-Y739 HydrophobicContact CD1-CE2 3.77Å; L737-Y739 HydrophobicContact CD2-CE2 4.27Å; L737-Y739 HydrophobicContact CG-CE2 3.84Å; L737-V753 HydrophobicContact CB-CG1 4.36Å; L737-V753 HydrophobicContact CD2-CG1 3.95Å; L737-V753 HydrophobicContact CG-CG1 3.94Å
738	A	84.2	Confident	78.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	155.3	176.5	0	0	0	0	0	111.8	L586 R609 V610 F612 L747 F748 V749	L586-A738 HydrophobicContact CD1-CB 4.43Å; R609-A738 WeakPolarHBondContact CA-O 3.43Å; V610-A738 HydrophobicContact CB-CB 4.42Å; V610-A738 PolarHBondContact N-O 3.3Å; F612-A738 HydrophobicContact CE2-CB 3.72Å; F612-A738 HydrophobicContact CZ-CB 3.96Å; A738-L747 HydrophobicContact CB-CD1 4.31Å; A738-F748 VanDerWaalsContact CA-O 3.25Å; A738-F748 WeakPolarHBondContact CA-O 3.47Å; A738-F748 WeakPolarHBondContact CB-O 3.04Å; A738-V749 HydrophobicContact CB-CG2 4.22Å
739	Y	86.7	Confident	78.7	Confident	3 Å²	3	43.1 Å²	43.1	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.4	178.3	-66.5	-107.3	0	0	0	110.5	G608 R609 L737 L747 F748 V753 H754 F757	G608-Y739 CarbonylContact O-C 3.47Å; G608-Y739 WeakPolarHBondContact O-CA 3.04Å; R609-Y739 HydrophobicContact CG-CD1 3.99Å; R609-Y739 HydrophobicContact CG-CE1 3.54Å; L737-Y739 HydrophobicContact CD1-CE2 3.77Å; L737-Y739 HydrophobicContact CD2-CE2 4.27Å; L737-Y739 HydrophobicContact CG-CE2 3.84Å; Y739-L747 CarbonylContact O-C 3.24Å; Y739-L747 WeakPolarHBondContact O-CA 3.33Å; Y739-F748 PolarHBondContact N-O 3.26Å; Y739-F748 PolarHBondContact O-N 3.34Å; Y739-V753 HydrophobicContact CD2-CG2 3.9Å; Y739-V753 HydrophobicContact CE2-CG1 4.48Å; Y739-H754 HydrophobicContact CE2-CB 4.24Å; Y739-H754 AromaticContact CZ-ND1 3.82Å; Y739-H754 PolarHBondContact OH-ND1 3.39Å; Y739-F757 VanDerWaalsContact CB-CD2 3.41Å; Y739-F757 AromaticContact CD1-CD1 3.44Å; Y739-F757 HydrophobicContact CD1-CD1 3.44Å; Y739-F757 VanDerWaalsContact CD1-CD1 3.44Å; Y739-F757 HydrophobicContact CD1-CD2 4.35Å; Y739-F757 AromaticContact CD1-CE1 3.56Å; Y739-F757 HydrophobicContact CD1-CE1 3.56Å; Y739-F757 HydrophobicContact CD1-CE2 4.43Å; Y739-F757 AromaticContact CD1-CG 3.85Å; Y739-F757 HydrophobicContact CD1-CG 3.85Å; Y739-F757 HydrophobicContact CD1-CZ 4.06Å; Y739-F757 HydrophobicContact CE1-CD1 4.01Å; Y739-F757 HydrophobicContact CE1-CE1 4.19Å; Y739-F757 HydrophobicContact CG-CB 4.14Å; Y739-F757 AromaticContact CG-CD1 3.88Å; Y739-F757 HydrophobicContact CG-CD1 3.88Å; Y739-F757 HydrophobicContact CG-CD2 4.17Å; Y739-F757 HydrophobicContact CG-CE1 4.31Å; Y739-F757 AromaticContact CG-CG 3.79Å; Y739-F757 HydrophobicContact CG-CG 3.79Å
740	C	81.6	Confident	78.5	Confident	42 Å²	42	43.2 Å²	43.2	28%	0.284	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130	172	-175.6	0	0	0	0	109.6	G608 V610 P742 R746 L747	G608-C740 WeakPolarHBondContact CA-O 3.43Å; G608-C740 PolarHBondContact O-N 2.84Å; V610-C740 HydrophobicContact CG2-CB 3.89Å; C740-P742 WeakPolarHBondContact O-CD 3.13Å; C740-R746 WeakPolarHBondContact CA-O 3.43Å; C740-L747 HydrophobicContact CB-CD1 4.37Å
741	C	78.7	Confident	78.2	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.007	27%	0.274	C	S	.	.			trans	-75.1	119	-179.4	-178.1	0	0	0	0	111.3	N743 C744 S745 R746 F748 F757 H760	C741-N743 PolarHBondContact O-N 3.27Å; C741-N743 VanDerWaalsContact O-N 3.11Å; C741-C744 VanDerWaalsContact CB-SG 3.54Å; C741-C744 PolarHBondContact O-N 3.45Å; C741-S745 VanDerWaalsContact O-CA 3.3Å; C741-S745 WeakPolarHBondContact O-CA 3.06Å; C741-S745 PolarHBondContact O-N 3.3Å; C741-R746 PolarHBondContact N-O 3.5Å; C741-F748 HydrophobicContact CB-CE2 4.42Å; C741-F757 HydrophobicContact CB-CE2 4.31Å; C741-H760 PolarHBondContact SG-NE2 2.9Å; C741-H760 VanDerWaalsContact SG-NE2 3.41Å
742	P	75.9	Confident	78.3	Confident	47 Å²	47	46.5 Å²	46.5	31%	0.305	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-16.4	-175	26.9	-35.1	0	0	0	114	C740	C740-P742 WeakPolarHBondContact O-CD 3.13Å
743	N	76.2	Confident	78.6	Confident	59 Å²	59	45.3 Å²	45.3	32%	0.316	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-25.1	-177.5	-65.1	-4.8	0	0	0	113.7	K444 C741 C764	K444-N743 PolarHBondContact NZ-O 2.12Å; C741-N743 PolarHBondContact O-N 3.27Å; C741-N743 VanDerWaalsContact O-N 3.11Å; N743-C764 VanDerWaalsContact CB-SG 3.59Å
744	C	80.3	Confident	79.3	Confident	57 Å²	57	43.8 Å²	43.8	39%	0.385	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139.4	0	-172.1	74.8	0	0	0	0	115.1	C741 R746 H760	C741-C744 VanDerWaalsContact CB-SG 3.54Å; C741-C744 PolarHBondContact O-N 3.45Å; C744-R746 PolarHBondContact O-N 3.22Å; C744-R746 VanDerWaalsContact O-N 3.14Å; C744-R746 VanDerWaalsContact SG-CB 3.58Å; C744-H760 PolarHBondContact SG-NE2 3.34Å
745	S	77.6	Confident	80	Confident	98 Å²	98	46 Å²	46	69%	0.685	25%	0.253	S	S	*	.			trans	60.4	13.2	-178.6	-51.9	0	0	0	0	116.3	C741 L747	C741-S745 VanDerWaalsContact O-CA 3.3Å; C741-S745 WeakPolarHBondContact O-CA 3.06Å; C741-S745 PolarHBondContact O-N 3.3Å; S745-L747 PolarHBondContact O-N 3.02Å
746	R	74	Confident	80.6	Confident	147 Å²	147	49.3 Å²	49.3	56%	0.555	26%	0.264	S	S	*	.			trans	-69.5	125.9	177.3	-173.8	172.5	-176.8	172.4	6.4	111.1	C740 C741 C744 F748	C740-R746 WeakPolarHBondContact CA-O 3.43Å; C741-R746 PolarHBondContact N-O 3.5Å; C744-R746 PolarHBondContact O-N 3.22Å; C744-R746 VanDerWaalsContact O-N 3.14Å; C744-R746 VanDerWaalsContact SG-CB 3.58Å; R746-F748 HydrophobicContact CB-CE2 3.94Å; R746-F748 HydrophobicContact CB-CZ 4.41Å; R746-F748 HydrophobicContact CG-CD2 4.47Å; R746-F748 HydrophobicContact CG-CE2 3.73Å; R746-F748 HydrophobicContact CG-CZ 3.87Å; R746-F748 WeakPolarHBondContact O-CD2 3.36Å; R746-F748 WeakPolarHBondContact O-CE2 3.49Å
747	L	77.1	Confident	81.3	Confident	70 Å²	70	47.8 Å²	47.8	37%	0.366	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	147	174.3	-170.3	68	0	0	0	111.4	L590 V610 A738 Y739 C740 S745 V749	L590-L747 HydrophobicContact CD1-CD2 4.48Å; V610-L747 HydrophobicContact CG2-CD1 4.2Å; A738-L747 HydrophobicContact CB-CD1 4.31Å; Y739-L747 CarbonylContact O-C 3.24Å; Y739-L747 WeakPolarHBondContact O-CA 3.33Å; C740-L747 HydrophobicContact CB-CD1 4.37Å; S745-L747 PolarHBondContact O-N 3.02Å; L747-V749 HydrophobicContact CD2-CG2 4.05Å; L747-V749 HydrophobicContact CG-CG2 3.99Å
748	F	81.6	Confident	81.6	Confident	12 Å²	12	52.5 Å²	52.5	5%	0.053	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	132.6	176.9	-65	-96.1	0	0	0	109	A738 Y739 C741 R746 V753 R756 F757 H760	A738-F748 VanDerWaalsContact CA-O 3.25Å; A738-F748 WeakPolarHBondContact CA-O 3.47Å; A738-F748 WeakPolarHBondContact CB-O 3.04Å; Y739-F748 PolarHBondContact N-O 3.26Å; Y739-F748 PolarHBondContact O-N 3.34Å; C741-F748 HydrophobicContact CB-CE2 4.42Å; R746-F748 HydrophobicContact CB-CE2 3.94Å; R746-F748 HydrophobicContact CB-CZ 4.41Å; R746-F748 HydrophobicContact CG-CD2 4.47Å; R746-F748 HydrophobicContact CG-CE2 3.73Å; R746-F748 HydrophobicContact CG-CZ 3.87Å; R746-F748 WeakPolarHBondContact O-CD2 3.36Å; R746-F748 WeakPolarHBondContact O-CE2 3.49Å; F748-V753 VanDerWaalsContact C-CG2 3.41Å; F748-V753 HydrophobicContact CB-CG2 3.88Å; F748-V753 VanDerWaalsContact O-CG2 3.28Å; F748-V753 WeakPolarHBondContact O-CG2 3.43Å; F748-R756 HydrophobicContact CD1-CB 3.92Å; F748-R756 HydrophobicContact CE1-CB 4.43Å; F748-F757 HydrophobicContact CB-CB 4.37Å; F748-F757 HydrophobicContact CD2-CB 4.45Å; F748-F757 AromaticContact CD2-CD2 3.82Å; F748-F757 HydrophobicContact CD2-CD2 3.82Å; F748-F757 HydrophobicContact CE2-CD2 4.22Å; F748-F757 HydrophobicContact CG-CB 4.22Å; F748-F757 HydrophobicContact CG-CD2 4.41Å; F748-H760 HydrophobicContact CE1-CB 3.91Å; F748-H760 HydrophobicContact CE2-CB 4.3Å; F748-H760 AromaticContact CE2-CD2 3.54Å; F748-H760 HydrophobicContact CZ-CB 3.46Å; F748-H760 VanDerWaalsContact CZ-CB 3.46Å; F748-H760 AromaticContact CZ-CD2 3.4Å; F748-H760 WeakPolarHBondContact CZ-CD2 3.24Å; F748-H760 AromaticContact CZ-CG 3.37Å
749	V	81.9	Confident	81.7	Confident	3 Å²	3	56 Å²	56	2%	0.018	30%	0.303	C	S	.	.			trans	-144.5	168	-176.8	-163	0	0	0	0	109	K582 E583 L586 I736 A738 L747 R756	K582-V749 HydrophobicContact CB-CG1 3.89Å; E583-V749 HydrophobicContact CG-CB 3.75Å; E583-V749 HydrophobicContact CG-CG1 4.24Å; E583-V749 HydrophobicContact CG-CG2 3.94Å; L586-V749 HydrophobicContact CD1-CB 4.32Å; L586-V749 HydrophobicContact CD1-CG1 3.67Å; L586-V749 HydrophobicContact CD1-CG2 3.56Å; I736-V749 HydrophobicContact CG2-CG1 4.13Å; A738-V749 HydrophobicContact CB-CG2 4.22Å; L747-V749 HydrophobicContact CD2-CG2 4.05Å; L747-V749 HydrophobicContact CG-CG2 3.99Å; V749-R756 PolarHBondContact O-NH1 2.84Å
750	G	78.1	Confident	81.8	Confident	5 Å²	5	57.5 Å²	57.5	5%	0.052	31%	0.31	C	S	.	.	S	Bend	trans	83.4	-153.4	163.8	0	0	0	0	0	114.6	N752 V753	G750-N752 PolarHBondContact O-N 2.84Å; G750-V753 VanDerWaalsContact O-CB 3.29Å; G750-V753 WeakPolarHBondContact O-CB 3.39Å; G750-V753 PolarHBondContact O-N 3.12Å
751	D	77	Confident	82	Confident	110 Å²	110	59.5 Å²	59.5	59%	0.588	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	132.7	-173.1	-59.3	-53.1	0	0	0	111.8	V753 R756	D751-V753 PolarHBondContact O-N 2.83Å; D751-V753 VanDerWaalsContact O-N 3.11Å; D751-R756 WeakPolarHBondContact O-CD 3.46Å
752	N	81.7	Confident	82.4	Confident	126 Å²	126	62.8 Å²	62.8	67%	0.674	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	26.5	-177.3	-57.5	-58.9	0	0	0	114.4	G750 H754 T755 R756	G750-N752 PolarHBondContact O-N 2.84Å; N752-H754 PolarHBondContact O-N 2.54Å; N752-T755 PolarHBondContact O-N 3.44Å; N752-T755 PolarHBondContact O-OG1 2.81Å; N752-T755 VanDerWaalsContact O-OG1 3.09Å; N752-R756 PolarHBondContact O-N 2.99Å; N752-R756 VanDerWaalsContact O-N 3.09Å
753	V	84	Confident	82.9	Confident	7 Å²	7	65.4 Å²	65.4	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-44.7	-43.5	-176.6	59.3	0	0	0	0	114.4	L737 Y739 F748 G750 D751 R756 F757	L737-V753 HydrophobicContact CB-CG1 4.36Å; L737-V753 HydrophobicContact CD2-CG1 3.95Å; L737-V753 HydrophobicContact CG-CG1 3.94Å; Y739-V753 HydrophobicContact CD2-CG2 3.9Å; Y739-V753 HydrophobicContact CE2-CG1 4.48Å; F748-V753 VanDerWaalsContact C-CG2 3.41Å; F748-V753 HydrophobicContact CB-CG2 3.88Å; F748-V753 VanDerWaalsContact O-CG2 3.28Å; F748-V753 WeakPolarHBondContact O-CG2 3.43Å; G750-V753 VanDerWaalsContact O-CB 3.29Å; G750-V753 WeakPolarHBondContact O-CB 3.39Å; G750-V753 PolarHBondContact O-N 3.12Å; D751-V753 PolarHBondContact O-N 2.83Å; D751-V753 VanDerWaalsContact O-N 3.11Å; V753-R756 PolarHBondContact O-N 3.48Å; V753-F757 WeakPolarHBondContact O-CB 3.48Å; V753-F757 PolarHBondContact O-N 3.31Å
754	H	86.2	Confident	83.2	Confident	34 Å²	34	63.6 Å²	63.6	16%	0.157	34%	0.336	C	S	.	.	H	α-helix	trans	-64.3	-44.7	-178.4	173.5	64.2	0	0	0	112.4	L723 Y739 N752 F757 E758	L723-H754 VanDerWaalsContact CD2-NE2 3.28Å; L723-H754 WeakPolarHBondContact CD2-NE2 3.39Å; Y739-H754 HydrophobicContact CE2-CB 4.24Å; Y739-H754 AromaticContact CZ-ND1 3.82Å; Y739-H754 PolarHBondContact OH-ND1 3.39Å; N752-H754 PolarHBondContact O-N 2.54Å; H754-F757 PolarHBondContact O-N 3.13Å; H754-E758 IonicContact CE1-OE1 3.92Å; H754-E758 PolarHBondContact CE1-OE1 2.84Å; H754-E758 IonicContact CE1-OE2 3.35Å; H754-E758 IonicContact NE2-OE1 2.74Å; H754-E758 IonicContact NE2-OE2 2.7Å; H754-E758 WeakPolarHBondContact O-CG 3.49Å; H754-E758 PolarHBondContact O-N 2.94Å
755	T	87.3	Confident	83.3	Confident	81 Å²	81	64.4 Å²	64.4	50%	0.497	33%	0.334	S	S	.	.	H	α-helix	trans	-74.3	-33.2	179.4	66	0	0	0	0	112	N752 F757 S759	N752-T755 PolarHBondContact O-N 3.44Å; N752-T755 PolarHBondContact O-OG1 2.81Å; N752-T755 VanDerWaalsContact O-OG1 3.09Å; T755-F757 VanDerWaalsContact C-N 3.3Å; T755-F757 PolarHBondContact O-N 3.31Å; T755-S759 WeakPolarHBondContact O-CB 3.2Å; T755-S759 PolarHBondContact O-N 3.23Å
756	R	87.5	Confident	83.4	Confident	93 Å²	93	62.3 Å²	62.3	35%	0.351	32%	0.323	S	S	.	.	H	α-helix	trans	-57.4	-45.1	168.4	-65.2	174	78.2	-169.2	10.1	110.5	D579 F748 V749 D751 N752 V753 H760	D579-R756 IonicContact OD2-NH2 3.8Å; F748-R756 HydrophobicContact CD1-CB 3.92Å; F748-R756 HydrophobicContact CE1-CB 4.43Å; V749-R756 PolarHBondContact O-NH1 2.84Å; D751-R756 WeakPolarHBondContact O-CD 3.46Å; N752-R756 PolarHBondContact O-N 2.99Å; N752-R756 VanDerWaalsContact O-N 3.09Å; V753-R756 PolarHBondContact O-N 3.48Å; R756-H760 WeakPolarHBondContact O-CB 3.49Å; R756-H760 PolarHBondContact O-N 2.9Å; R756-H760 VanDerWaalsContact O-N 3.16Å
757	F	88.2	Confident	83.6	Confident	5 Å²	5	58.8 Å²	58.8	2%	0.022	32%	0.318	C	S	.	.	H	α-helix	trans	-68	-48	179.3	174.2	-104.3	0	0	0	112.9	C607 Y739 C741 F748 V753 H754 T755 H760 R761	C607-F757 VanDerWaalsContact O-CE1 3.29Å; C607-F757 WeakPolarHBondContact O-CE1 3.41Å; C607-F757 WeakPolarHBondContact O-CZ 3.4Å; Y739-F757 VanDerWaalsContact CB-CD2 3.41Å; Y739-F757 AromaticContact CD1-CD1 3.44Å; Y739-F757 HydrophobicContact CD1-CD1 3.44Å; Y739-F757 VanDerWaalsContact CD1-CD1 3.44Å; Y739-F757 HydrophobicContact CD1-CD2 4.35Å; Y739-F757 AromaticContact CD1-CE1 3.56Å; Y739-F757 HydrophobicContact CD1-CE1 3.56Å; Y739-F757 HydrophobicContact CD1-CE2 4.43Å; Y739-F757 AromaticContact CD1-CG 3.85Å; Y739-F757 HydrophobicContact CD1-CG 3.85Å; Y739-F757 HydrophobicContact CD1-CZ 4.06Å; Y739-F757 HydrophobicContact CE1-CD1 4.01Å; Y739-F757 HydrophobicContact CE1-CE1 4.19Å; Y739-F757 HydrophobicContact CG-CB 4.14Å; Y739-F757 AromaticContact CG-CD1 3.88Å; Y739-F757 HydrophobicContact CG-CD1 3.88Å; Y739-F757 HydrophobicContact CG-CD2 4.17Å; Y739-F757 HydrophobicContact CG-CE1 4.31Å; Y739-F757 AromaticContact CG-CG 3.79Å; Y739-F757 HydrophobicContact CG-CG 3.79Å; C741-F757 HydrophobicContact CB-CE2 4.31Å; F748-F757 HydrophobicContact CB-CB 4.37Å; F748-F757 HydrophobicContact CD2-CB 4.45Å; F748-F757 AromaticContact CD2-CD2 3.82Å; F748-F757 HydrophobicContact CD2-CD2 3.82Å; F748-F757 HydrophobicContact CE2-CD2 4.22Å; F748-F757 HydrophobicContact CG-CB 4.22Å; F748-F757 HydrophobicContact CG-CD2 4.41Å; V753-F757 WeakPolarHBondContact O-CB 3.48Å; V753-F757 PolarHBondContact O-N 3.31Å; H754-F757 PolarHBondContact O-N 3.13Å; T755-F757 VanDerWaalsContact C-N 3.3Å; T755-F757 PolarHBondContact O-N 3.31Å; F757-H760 PolarHBondContact O-N 3.17Å; F757-R761 VanDerWaalsContact O-CB 3.24Å; F757-R761 WeakPolarHBondContact O-CB 3.23Å; F757-R761 PolarHBondContact O-N 2.89Å
758	E	86.9	Confident	83.3	Confident	103 Å²	103	57.6 Å²	57.6	48%	0.481	32%	0.318	S	S	.	.	H	α-helix	trans	-65.4	-41.4	-179.5	-71.4	-166.4	147.7	0	0	112.7	H754 H760 R761 S762	H754-E758 IonicContact CE1-OE1 3.92Å; H754-E758 PolarHBondContact CE1-OE1 2.84Å; H754-E758 IonicContact CE1-OE2 3.35Å; H754-E758 IonicContact NE2-OE1 2.74Å; H754-E758 IonicContact NE2-OE2 2.7Å; H754-E758 WeakPolarHBondContact O-CG 3.49Å; H754-E758 PolarHBondContact O-N 2.94Å; E758-H760 PolarHBondContact O-N 3.36Å; E758-R761 PolarHBondContact O-N 3.2Å; E758-S762 PolarHBondContact O-N 3.2Å
759	S	88.1	Confident	82.7	Confident	72 Å²	72	59.5 Å²	59.5	50%	0.503	34%	0.336	S	S	.	.	H	α-helix	trans	-55.7	-52.5	172.3	177.8	0	0	0	0	110.8	T755 R761 S762 I763	T755-S759 WeakPolarHBondContact O-CB 3.2Å; T755-S759 PolarHBondContact O-N 3.23Å; S759-R761 PolarHBondContact O-N 3.3Å; S759-S762 PolarHBondContact O-OG 3.23Å; S759-I763 WeakPolarHBondContact O-CG1 3.39Å; S759-I763 PolarHBondContact O-N 3.27Å
760	H	87.6	Confident	81.8	Confident	36 Å²	36	63.8 Å²	63.8	17%	0.167	36%	0.363	C	S	.	.	H	α-helix	trans	-61.8	-41.4	175.6	172.8	66.8	0	0	0	113.2	C741 C744 F748 R756 F757 E758 S762 I763 C764	C741-H760 PolarHBondContact SG-NE2 2.9Å; C741-H760 VanDerWaalsContact SG-NE2 3.41Å; C744-H760 PolarHBondContact SG-NE2 3.34Å; F748-H760 HydrophobicContact CE1-CB 3.91Å; F748-H760 HydrophobicContact CE2-CB 4.3Å; F748-H760 AromaticContact CE2-CD2 3.54Å; F748-H760 HydrophobicContact CZ-CB 3.46Å; F748-H760 VanDerWaalsContact CZ-CB 3.46Å; F748-H760 AromaticContact CZ-CD2 3.4Å; F748-H760 WeakPolarHBondContact CZ-CD2 3.24Å; F748-H760 AromaticContact CZ-CG 3.37Å; R756-H760 WeakPolarHBondContact O-CB 3.49Å; R756-H760 PolarHBondContact O-N 2.9Å; R756-H760 VanDerWaalsContact O-N 3.16Å; F757-H760 PolarHBondContact O-N 3.17Å; E758-H760 PolarHBondContact O-N 3.36Å; H760-S762 PolarHBondContact O-N 3.41Å; H760-I763 PolarHBondContact O-N 3.43Å; H760-C764 VanDerWaalsContact O-CB 3.28Å; H760-C764 WeakPolarHBondContact O-CB 3.32Å; H760-C764 PolarHBondContact O-N 2.64Å
761	R	86.9	Confident	80.7	Confident	83 Å²	83	66.7 Å²	66.7	31%	0.313	38%	0.379	S	S	.	.	H	α-helix	trans	-57.9	-50.3	-178.4	178.1	-175.4	173.8	154.9	13.7	110.5	F757 E758 S759 I763 C764 E765	F757-R761 VanDerWaalsContact O-CB 3.24Å; F757-R761 WeakPolarHBondContact O-CB 3.23Å; F757-R761 PolarHBondContact O-N 2.89Å; E758-R761 PolarHBondContact O-N 3.2Å; S759-R761 PolarHBondContact O-N 3.3Å; R761-I763 VanDerWaalsContact C-N 3.31Å; R761-I763 PolarHBondContact O-N 3.39Å; R761-C764 PolarHBondContact O-N 3.06Å; R761-C764 VanDerWaalsContact O-N 3.11Å; R761-E765 HydrophobicContact CG-CG 4.2Å; R761-E765 WeakPolarHBondContact CG-OE2 3.05Å; R761-E765 IonicContact CZ-OE1 3.76Å; R761-E765 VanDerWaalsContact CZ-OE1 3.23Å; R761-E765 IonicContact CZ-OE2 3.21Å; R761-E765 IonicContact NE-OE1 2.82Å; R761-E765 PolarHBondContact NE-OE1 3.22Å; R761-E765 IonicContact NE-OE2 3.68Å; R761-E765 PolarHBondContact NE-OE2 2.85Å; R761-E765 IonicContact NH2-OE1 2.73Å; R761-E765 PolarHBondContact NH2-OE1 2.72Å; R761-E765 IonicContact NH2-OE2 2.63Å; R761-E765 WeakPolarHBondContact O-CB 3.41Å; R761-E765 WeakPolarHBondContact O-CG 3.27Å; R761-E765 PolarHBondContact O-N 3.38Å
762	S	85.7	Confident	79.5	Confident	70 Å²	70	66 Å²	66	49%	0.49	38%	0.379	S	S	.	.	H	α-helix	trans	-56.9	-43.6	179.7	68	0	0	0	0	112.6	E758 S759 H760 A766	E758-S762 PolarHBondContact O-N 3.2Å; S759-S762 PolarHBondContact O-OG 3.23Å; H760-S762 PolarHBondContact O-N 3.41Å; S762-A766 WeakPolarHBondContact O-CB 3.47Å; S762-A766 PolarHBondContact O-N 3.17Å
763	I	86.5	Confident	77.9	Confident	103 Å²	103	65.1 Å²	65.1	53%	0.528	38%	0.378	S	S	.	.	H	α-helix	trans	-66	-43.5	176.7	-60.8	166.5	0	0	0	110.6	S759 H760 R761 A766 V767	S759-I763 WeakPolarHBondContact O-CG1 3.39Å; S759-I763 PolarHBondContact O-N 3.27Å; H760-I763 PolarHBondContact O-N 3.43Å; R761-I763 VanDerWaalsContact C-N 3.31Å; R761-I763 PolarHBondContact O-N 3.39Å; I763-A766 PolarHBondContact O-N 3.3Å; I763-V767 WeakPolarHBondContact O-CG2 3.32Å; I763-V767 PolarHBondContact O-N 2.63Å
764	C	82.8	Confident	76	Confident	20 Å²	20	68.5 Å²	68.5	14%	0.135	40%	0.402	C	S	.	.	H	α-helix	trans	-74	-31.1	-176.3	-161	0	0	0	0	113	N743 H760 R761 A768	N743-C764 VanDerWaalsContact CB-SG 3.59Å; H760-C764 VanDerWaalsContact O-CB 3.28Å; H760-C764 WeakPolarHBondContact O-CB 3.32Å; H760-C764 PolarHBondContact O-N 2.64Å; R761-C764 PolarHBondContact O-N 3.06Å; R761-C764 VanDerWaalsContact O-N 3.11Å; C764-A768 WeakPolarHBondContact O-CB 3.34Å; C764-A768 PolarHBondContact O-N 3.27Å
765	E	82.5	Confident	73.9	Confident	74 Å²	74	72.2 Å²	72.2	35%	0.346	42%	0.424	S	S	.	.	H	α-helix	trans	-72.4	-38.9	170.4	-72.9	176.7	150.9	0	0	111.3	R761 A768 A769	R761-E765 HydrophobicContact CG-CG 4.2Å; R761-E765 WeakPolarHBondContact CG-OE2 3.05Å; R761-E765 IonicContact CZ-OE1 3.76Å; R761-E765 VanDerWaalsContact CZ-OE1 3.23Å; R761-E765 IonicContact CZ-OE2 3.21Å; R761-E765 IonicContact NE-OE1 2.82Å; R761-E765 PolarHBondContact NE-OE1 3.22Å; R761-E765 IonicContact NE-OE2 3.68Å; R761-E765 PolarHBondContact NE-OE2 2.85Å; R761-E765 IonicContact NH2-OE1 2.73Å; R761-E765 PolarHBondContact NH2-OE1 2.72Å; R761-E765 IonicContact NH2-OE2 2.63Å; R761-E765 WeakPolarHBondContact O-CB 3.41Å; R761-E765 WeakPolarHBondContact O-CG 3.27Å; R761-E765 PolarHBondContact O-N 3.38Å; E765-A768 PolarHBondContact O-N 2.9Å; E765-A769 WeakPolarHBondContact O-CB 3.02Å; E765-A769 PolarHBondContact O-N 2.9Å
766	A	80.8	Confident	71.8	Confident	54 Å²	54	74.8 Å²	74.8	45%	0.446	43%	0.434	S	S	.	.	H	α-helix	trans	-62	-46.3	174.3	0	0	0	0	0	112.5	S762 I763 A768 A769 T770	S762-A766 WeakPolarHBondContact O-CB 3.47Å; S762-A766 PolarHBondContact O-N 3.17Å; I763-A766 PolarHBondContact O-N 3.3Å; A766-A768 VanDerWaalsContact C-N 3.3Å; A766-A768 PolarHBondContact O-N 3.15Å; A766-A769 PolarHBondContact O-N 2.89Å; A766-T770 PolarHBondContact O-N 3.39Å; A766-T770 PolarHBondContact O-OG1 2.83Å
767	V	77.2	Confident	69.6	Low	73 Å²	73	79.1 Å²	79.1	44%	0.442	46%	0.461	S	S	.	.	H	α-helix	trans	-63	-35.4	175.4	171.4	0	0	0	0	112	I763 T770 T771	I763-V767 WeakPolarHBondContact O-CG2 3.32Å; I763-V767 PolarHBondContact O-N 2.63Å; V767-T770 PolarHBondContact O-OG1 3.01Å; V767-T771 PolarHBondContact O-OG1 3.27Å
768	A	71.3	Confident	67.3	Low	46 Å²	46	87.9 Å²	87.9	38%	0.38	50%	0.501	S	S	.	.	H	α-helix	trans	-67.4	-39.2	173.8	0	0	0	0	0	112.2	C764 E765 A766	C764-A768 WeakPolarHBondContact O-CB 3.34Å; C764-A768 PolarHBondContact O-N 3.27Å; E765-A768 PolarHBondContact O-N 2.9Å; A766-A768 VanDerWaalsContact C-N 3.3Å; A766-A768 PolarHBondContact O-N 3.15Å
769	A	69.5	Low	64.9	Low	51 Å²	51	91.8 Å²	91.8	42%	0.421	52%	0.52	S	S	.	.	H	α-helix	trans	-72.5	-41.7	-178.9	0	0	0	0	0	113.4	E765 A766 T771 T772 T773	E765-A769 WeakPolarHBondContact O-CB 3.02Å; E765-A769 PolarHBondContact O-N 2.9Å; A766-A769 PolarHBondContact O-N 2.89Å; A769-T771 PolarHBondContact O-N 2.96Å; A769-T772 PolarHBondContact O-N 2.74Å; A769-T772 PolarHBondContact O-OG1 3.01Å; A769-T773 PolarHBondContact O-OG1 2.74Å
770	T	62.5	Low	62.6	Low	94 Å²	94	93.1 Å²	93.1	58%	0.577	53%	0.529	S	S	*	.	H	α-helix	trans	-63.4	-25.8	176.4	52.3	0	0	0	0	112.6	A766 V767 T772	A766-T770 PolarHBondContact O-N 3.39Å; A766-T770 PolarHBondContact O-OG1 2.83Å; V767-T770 PolarHBondContact O-OG1 3.01Å; T770-T772 PolarHBondContact O-N 2.88Å
771	T	55	Low	60.2	Low	65 Å²	65	98.3 Å²	98.3	40%	0.399	56%	0.557	S	S	.	*	H	α-helix	trans	-76.2	-3.6	176.3	-50.4	0	0	0	0	113.2	V767 A769	V767-T771 PolarHBondContact O-OG1 3.27Å; A769-T771 PolarHBondContact O-N 2.96Å
772	T	52	Low	57.7	Low	97 Å²	97	102.9 Å²	102.9	60%	0.595	58%	0.581	S	S	*	*	H	α-helix	trans	-119.3	-4	-179.9	60.3	0	0	0	0	114.9	A769 T770	A769-T772 PolarHBondContact O-N 2.74Å; A769-T772 PolarHBondContact O-OG1 3.01Å; T770-T772 PolarHBondContact O-N 2.88Å
773	T	48.2	Very low	55.5	Low	106 Å²	106	105 Å²	105	65%	0.65	59%	0.593	S	S	*	*	H	α-helix	trans	-106.6	-11.9	-177	49.8	0	0	0	0	115.1	A769	A769-T773 PolarHBondContact O-OG1 2.74Å
774	S	44.2	Very low	53.2	Low	78 Å²	78	109 Å²	109	55%	0.545	61%	0.612	S	S	.	*	S	Bend	trans	-68.5	-32.7	177	41.2	0	0	0	0	113.6	N776	S774-N776 VanDerWaalsContact C-N 3.25Å; S774-N776 PolarHBondContact O-N 2.95Å
775	D	41.7	Very low	50.9	Low	113 Å²	113	117.2 Å²	117.2	60%	0.604	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	27.2	-158.3	-57.4	8.7	0	0	0	113.5
776	N	42.9	Very low	49	Very low	135 Å²	135	119.3 Å²	119.3	72%	0.722	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.7	14.9	-172.2	-75.9	-70.9	0	0	0	115.5	S774	S774-N776 VanDerWaalsContact C-N 3.25Å; S774-N776 PolarHBondContact O-N 2.95Å
777	M	41.8	Very low	46.8	Very low	184 Å²	184	123.9 Å²	123.9	91%	0.906	69%	0.688	S	S	*	*	S	Bend	trans	-135.5	30.9	-178.7	-78.9	-166.2	164.6	0	0	115.5
778	E	39.8	Very low	45	Very low	188 Å²	188	129.5 Å²	129.5	88%	0.879	71%	0.71	S	S	*	*			trans	-150.5	146.8	167.6	-101.4	149.5	-163.5	0	0	107
779	E	35.2	Very low	43.4	Very low	186 Å²	186	132 Å²	132	87%	0.869	72%	0.724	S	S	*	*			cis	-145	164.7	6.7	-167.9	172.4	-160.4	0	0	109.6
780	S	39.7	Very low	41.8	Very low	100 Å²	100	137.2 Å²	137.2	70%	0.699	74%	0.743	S	S	*	*			trans	-118.8	141.5	-178.5	-70	0	0	0	0	112.7
781	I	37.8	Very low	40.6	Very low	144 Å²	144	136.6 Å²	136.6	74%	0.738	75%	0.748	S	S	*	*			trans	65.2	111.3	161	-55.9	153.7	0	0	0	115.9
782	H	34.2	Very low	39.9	Very low	180 Å²	180	139 Å²	139	83%	0.833	77%	0.767	S	S	*	*				-171.8	126	121.3	-107.7	-74.4	0	0	0	111.4
783	P	39.3	Very low	39.3	Very low	113 Å²	113	139.8 Å²	139.8	73%	0.734	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-87.6	154	171.7	35	-33.2	0	0	0	111.9
784	M	37.5	Very low	39.2	Very low	188 Å²	188	139.8 Å²	139.8	93%	0.926	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-95.5	138.3	170	-75.8	177.6	59.5	0	0	111.4
785	E	34.8	Very low	38.8	Very low	192 Å²	192	143.2 Å²	143.2	90%	0.897	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-80.6	157.6	175.7	-61.4	175.5	124.6	0	0	112.2
786	S	42.9	Very low	38.6	Very low	119 Å²	119	142.3 Å²	142.3	83%	0.832	79%	0.793	S	S	*	*			trans	-152.9	131.4	159.1	45.8	0	0	0	0	110.1
787	D	35.6	Very low	38.2	Very low	149 Å²	149	141.4 Å²	141.4	80%	0.797	79%	0.793	S	S	*	*			trans	-73.8	138	-169	-64.3	-82.7	0	0	0	114.6
788	Q	39.5	Very low	37.9	Very low	192 Å²	192	141.4 Å²	141.4	90%	0.897	79%	0.79	S	S	*	*				-161.1	95.9	129.9	-110.7	144.6	103.5	0	0	114.2
789	S	36.7	Very low	37.7	Very low	98 Å²	98	136.3 Å²	136.3	69%	0.685	78%	0.781	S	S	*	*			trans	-13.6	137	152.5	59.7	0	0	0	0	119.5
790	I	37.2	Very low	37.8	Very low	161 Å²	161	132.4 Å²	132.4	83%	0.826	77%	0.774	S	S	*	*				-179.3	133.2	101.2	-92.1	168.1	0	0	0	112.2
791	A	37.3	Very low	37.8	Very low	81 Å²	81	134.7 Å²	134.7	67%	0.669	78%	0.778	S	S	*	*			trans	43.9	116.2	155.8	0	0	0	0	0	122.9
792	S	40	Very low	37.7	Very low	115 Å²	115	135.7 Å²	135.7	80%	0.804	78%	0.784	S	S	*	*				52.4	143.1	118.1	-49	0	0	0	0	121.7
793	S	39.7	Very low	37.9	Very low	113 Å²	113	132.7 Å²	132.7	79%	0.79	78%	0.781	S	S	*	*			cis	-173.6	168.3	-15.2	-105.6	0	0	0	0	107.9
794	P	44.3	Very low	37.5	Very low	106 Å²	106	133.8 Å²	133.8	69%	0.688	79%	0.79	S	S	*	*			trans	-112.4	-166.9	-147.2	42.9	-38.1	0	0	0	116.7
795	N	36.8	Very low	37.2	Very low	150 Å²	150	129 Å²	129	80%	0.802	78%	0.775	S	S	*	*			trans	89.4	141.3	168.5	-61.3	-12.5	0	0	0	116.8
796	S	37.6	Very low	37.1	Very low	95 Å²	95	126.5 Å²	126.5	66%	0.664	77%	0.768	S	S	*	*			cis	-169.8	163.6	-11.8	48.3	0	0	0	0	113
797	T	33.7	Very low	36.8	Very low	115 Å²	115	127.5 Å²	127.5	71%	0.706	77%	0.768	S	S	*	*			trans	71.2	143.4	153.7	23.3	0	0	0	0	120.8
798	E	36.9	Very low	36.9	Very low	184 Å²	184	126 Å²	126	86%	0.86	76%	0.76	S	S	*	*			trans	64.2	153.9	158.3	-66.2	168.1	-168	0	0	117.6
799	A	35.6	Very low	36.8	Very low	82 Å²	82	125.3 Å²	125.3	68%	0.678	76%	0.762	S	S	*	*			cis	-170.4	176.2	-27.8	0	0	0	0	0	107.6
800	S	37.4	Very low	36.8	Very low	104 Å²	104	127 Å²	127	73%	0.727	76%	0.758	S	S	*	*			trans	81	143.4	160.5	-41.6	0	0	0	0	120.3
801	D	38.2	Very low	36.9	Very low	147 Å²	147	126.3 Å²	126.3	79%	0.786	76%	0.756	S	S	*	*			trans	65.9	116.4	143.6	-54.7	-24.8	0	0	0	124.6
802	L	36.4	Very low	36.9	Very low	165 Å²	165	129.5 Å²	129.5	86%	0.864	76%	0.757	S	S	*	*			trans	18.4	158.3	138.8	-89.6	77.8	0	0	0	124.1
803	P	38	Very low	36.8	Very low	118 Å²	118	128.6 Å²	128.6	77%	0.766	75%	0.751	S	S	*	*			trans	-97.4	161.1	-161.4	39.2	-37.5	0	0	0	115.8
804	C	30.9	Very low	36.6	Very low	136 Å²	136	130.9 Å²	130.9	92%	0.919	75%	0.753	S	S	*	*			trans	-153.4	170.2	150.4	-147.3	0	0	0	0	111.4
805	S	31.5	Very low	36.1	Very low	87 Å²	87	133.7 Å²	133.7	61%	0.608	76%	0.757	S	S	*	*			trans	-110.4	-175.3	-168.6	63.8	0	0	0	0	114.7
806	N	33.1	Very low	36.3	Very low	140 Å²	140	132.4 Å²	132.4	75%	0.749	76%	0.757	S	S	*	*			trans	82.3	156.8	172	-42.8	-12.4	0	0	0	112.5
807	V	37.1	Very low	36.3	Very low	140 Å²	140	134.4 Å²	134.4	85%	0.848	77%	0.765	S	S	*	*			cis	-136.2	161.6	29.3	179.9	0	0	0	0	113
808	D	37.9	Very low	36.2	Very low	116 Å²	116	138.3 Å²	138.3	62%	0.62	77%	0.772	S	S	*	*			trans	-76.2	173.2	-169.5	-45.5	-101.3	0	0	0	117.7	H810	D808-H810 HydrophobicContact CB-CB 4.45Å
809	L	36.7	Very low	36.1	Very low	178 Å²	178	135.9 Å²	135.9	93%	0.932	77%	0.77	S	S	*	*			trans	175.9	102.5	140.2	-97	166.8	0	0	0	108.6
810	H	37	Very low	36	Very low	134 Å²	134	136.2 Å²	136.2	62%	0.62	77%	0.767	S	S	*	*			cis	111.1	102.7	12.5	-155.7	-64.5	0	0	0	114	D808	D808-H810 HydrophobicContact CB-CB 4.45Å
811	L	39.1	Very low	35.8	Very low	147 Å²	147	138.4 Å²	138.4	77%	0.77	77%	0.771	S	S	*	*			trans	-173	100.5	154	-127.7	61.9	0	0	0	107.3
812	E	37.7	Very low	35.8	Very low	148 Å²	148	137 Å²	137	69%	0.692	76%	0.763	S	S	*	*				65.7	136.7	93.6	-67.5	-173.3	117.6	0	0	114.7
813	S	37	Very low	35.9	Very low	96 Å²	96	136.8 Å²	136.8	67%	0.671	76%	0.755	S	S	*	*			cis	-166.9	172.5	-2.5	-106.6	0	0	0	0	108.3
814	L	36.8	Very low	35.7	Very low	160 Å²	160	141.1 Å²	141.1	84%	0.838	76%	0.758	S	S	*	*			cis	-152.4	-168.3	10.6	-133.6	175	0	0	0	109.7
815	E	33.8	Very low	36.1	Very low	165 Å²	165	142.3 Å²	142.3	77%	0.771	75%	0.753	S	S	*	*			trans	-114.1	168.9	-173	-85.1	-166.5	142.6	0	0	115
816	P	39.2	Very low	36.3	Very low	124 Å²	124	143.7 Å²	143.7	81%	0.805	75%	0.754	S	S	*	*			trans	-84.3	150.3	-177.3	33.7	-36.9	0	0	0	115
817	V	38.3	Very low	36.8	Very low	137 Å²	137	146 Å²	146	83%	0.83	76%	0.76	S	S	*	*			trans	-133.4	144.8	178.2	179.9	0	0	0	0	111.7
818	K	31.3	Very low	36.7	Very low	197 Å²	197	142.9 Å²	142.9	86%	0.857	75%	0.745	S	S	*	*			trans	-103.1	138.8	174.2	-55.9	169.3	-178.7	171.7	0	110.7
819	T	34.5	Very low	36.7	Very low	133 Å²	133	145.6 Å²	145.6	82%	0.816	75%	0.753	S	S	*	*			trans	-165.2	117.6	146.2	18.4	0	0	0	0	114
820	S	34.1	Very low	36.9	Very low	89 Å²	89	143.1 Å²	143.1	62%	0.622	75%	0.746	S	S	*	*			trans	8.4	149.8	141.6	57.5	0	0	0	0	124.2
821	N	34.5	Very low	37.4	Very low	149 Å²	149	146.3 Å²	146.3	80%	0.797	78%	0.783	S	S	*	*			trans	83.5	146.3	160.6	-53.2	-15.9	0	0	0	115.7
822	D	36.9	Very low	37.4	Very low	117 Å²	117	146.3 Å²	146.3	63%	0.626	78%	0.784	S	S	*	*			cis	-153.6	158.8	17.2	-154.2	5.3	0	0	0	114.8
823	K	39.8	Very low	37.3	Very low	161 Å²	161	146.2 Å²	146.2	70%	0.7	79%	0.789	S	S	*	*			trans	60.9	125.6	160.9	-72	175.1	-177	78.8	0	124
824	Y	32.3	Very low	37.4	Very low	210 Å²	210	148.9 Å²	148.9	82%	0.824	80%	0.795	S	S	*	*				30.7	141.1	125.4	-74.5	-93.1	0	0	0	120.4
825	I	39.7	Very low	37.4	Very low	161 Å²	161	148.3 Å²	148.3	83%	0.826	79%	0.793	S	S	*	*				-136.4	151.8	54.4	-73.8	163.1	0	0	0	113.3
826	D	36.4	Very low	37.6	Very low	116 Å²	116	147.3 Å²	147.3	62%	0.62	79%	0.794	S	S	*	*			trans	-110.8	135.2	166.4	162.6	22.9	0	0	0	108.6	S828	D826-S828 PolarHBondContact OD1-N 3.49Å; D826-S828 VanDerWaalsContact OD1-N 3.12Å; D826-S828 PolarHBondContact OD1-OG 3.4Å
827	E	42.3	Very low	37.5	Very low	189 Å²	189	148.8 Å²	148.8	88%	0.883	79%	0.793	S	S	*	*			trans	-154.2	78.5	153.8	-130.7	165.4	-147.7	0	0	113.4
828	S	35.8	Very low	37.5	Very low	74 Å²	74	149.6 Å²	149.6	52%	0.517	79%	0.791	S	S	.	*				17.9	120.3	127.6	-71.6	0	0	0	0	121.4	D826	D826-S828 PolarHBondContact OD1-N 3.49Å; D826-S828 VanDerWaalsContact OD1-N 3.12Å; D826-S828 PolarHBondContact OD1-OG 3.4Å
829	Q	37.8	Very low	37.9	Very low	172 Å²	172	146 Å²	146	80%	0.804	79%	0.786	S	S	*	*			trans	76.9	150.5	131.2	-58.8	-179.3	18.5	0	0	123.8
830	T	41.8	Very low	38.2	Very low	126 Å²	126	147.1 Å²	147.1	77%	0.773	78%	0.783	S	S	*	*			trans	96.9	129.9	156	72.5	0	0	0	0	119.7
831	S	47.5	Very low	38.6	Very low	201 Å²	201	152.4 Å²	152.4	100%	1.406	80%	0.798	S	S	*	*			trans	77	0	-178.6	-46.5	0	0	0	0	116.1

Retrieved 831 of 831 residues in 480.7 ms (Link to these results)

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