X2JIZ6_DROME Loading...

Protein PALS1

AlphaFold DB , UniProt , Accession X2JIZ6, Species DROME (Drosophila melanogaster, Fruit fly), Gene sdt, Length 1,173 aa.

						>X2JIZ6_DROME|X2JIZ6|sdt
MQANSSRSNLSAQSSGTPSASTISSSQGKQQVVELSGYVIILVENVEGKIKLYGSPPDRDNLEVGDEILEVNGLTLENISRTEVIRHIHDCIKSCTICLRVRKKNDSRLAWDIGNSVQDAFVIAVEEHARERLQRLAALNRVTPVDITQLSKKLLEDVIVHQASDVHSYSTSASAAAIASSSNRSQQQQQQQQQHQLLSAAYELQQQQQLQLQQQQQQQNSPTSSISIGRTELLLGDQSLRQDPRGNRRRSGSSIVVLDGDDLKPCLPDDYISGQHHLNHQQQLQLQQQLQQQHPLQQQHYRTHSGDIREIDQEMLTMLSVNQDNGPHREMAVDCPDTFIARNKTPPRYPPPRPPQLNGNAKPVPPPRDHLRVEKDGRLVNCSPAPQLPDRRAPGNASSGSSGATTHPLQHQQIAQIVEPTLEQLDSIKKYQEQLRRRREEEERIAQQNEFLRNSLRGSRKLKALQDTATPGKAVAQQQQQATLATQVVGVENEAYLPDEDQPQAEQIDGYGELIAALTRLQNQLSKSGLSTLAGRVSAAHSVLASASVAHVLAARTAVLQRRRSRVSGPLHHSSLGLQKDIVELLTQSNTAAAIELGNLLTSHEMEGLLLAHDRIANHTDGTPSPTPTPTPAIGAATGSTLSSPVAGPKRNLGMVVPPPVVPPPLAQRGAMPLPRGESPPPVPMPPLATMPMSMPVNLPMSACFGTLNDQNDNIRIIQIEKSTEPLGATVRNEGEAVVIGRIVRGGAAEKSGLLHEGDEILEVNGQELRGKTVNEVCALLGAMQGTLTFLIVPAGSPPSVGVMGGTTGSQLAGLGGAHRDTAVLHVRAHFDYDPEDDLYIPCRELGISFQKGDVLHVISREDPNWWQAYREGEEDQTLAGLIPSQSFQHQRETMKLAIAEEAGLARSRGKDGSGSKGATLLCARKGRKKKKKASSEAGYPLYATTAPDETDPEEILTYEEVALYYPRATHKRPIVLIGPPNIGRHELRQRLMADSERFSAAVPHTSRARREGEVPGVDYHFITRQAFEADILARRFVEHGEYEKAYYGTSLEAIRTVVASGKICVLNLHPQSLKLLRASDLKPYVVLVAPPSLDKLRQKKLRNGEPFKEEELKDIIATARDMEARWGHLFDMIIINNDTERAYHQLLAEINSLEREPQWVPAQWVHNNRDES
					

Structure Viewer

Loading PAE data...

(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	31.7	Very low	30.9	Very low	241 Å²	241	141.6 Å²	141.6	100%	1.187	79%	0.785	S	S	*	*				0	143.2	0	-64.7	158.2	167.4	0	0	107.4
2	Q	33.1	Very low	30.4	Very low	181 Å²	181	137.8 Å²	137.8	85%	0.846	79%	0.786	S	S	*	*			cis	165.7	132.6	-29.3	-124.5	-174.2	-16.5	0	0	104.9
3	A	37.6	Very low	29.9	Very low	87 Å²	87	142.2 Å²	142.2	72%	0.719	80%	0.795	S	S	*	*			trans	62.4	156.8	163.3	0	0	0	0	0	118.7
4	N	34.1	Very low	29.6	Very low	144 Å²	144	139.1 Å²	139.1	77%	0.77	79%	0.789	S	S	*	*			cis	-161.1	141.8	-23.8	-100.5	-14.8	0	0	0	107.2
5	S	38.8	Very low	29.3	Very low	102 Å²	102	138.1 Å²	138.1	71%	0.713	79%	0.794	S	S	*	*				70.8	140.5	65.7	-81.2	0	0	0	0	115.6
6	S	34.8	Very low	29	Very low	95 Å²	95	134.2 Å²	134.2	66%	0.664	79%	0.792	S	S	*	*			cis	-177.9	164.4	-5.8	-103.3	0	0	0	0	112.9
7	R	30.1	Very low	28.9	Very low	229 Å²	229	134.2 Å²	134.2	86%	0.864	79%	0.794	S	S	*	*			trans	72.8	131.6	147.8	-79.9	176.5	177.7	-174.9	-1.6	121.8
8	S	27.7	Very low	29	Very low	100 Å²	100	134.1 Å²	134.1	70%	0.699	80%	0.798	S	S	*	*				90.2	152.4	94.1	77	0	0	0	0	115.2
9	N	24.9	Very low	28.8	Very low	133 Å²	133	132.9 Å²	132.9	71%	0.711	80%	0.797	S	S	*	*			cis	-158.1	159.6	-2.4	-115.1	25.4	0	0	0	107.9
10	L	24.2	Very low	28.6	Very low	145 Å²	145	131.4 Å²	131.4	76%	0.759	80%	0.8	S	S	*	*				55.1	136.4	70.1	-55.9	177	0	0	0	116.6
11	S	22.7	Very low	28.5	Very low	101 Å²	101	130.8 Å²	130.8	71%	0.706	80%	0.801	S	S	*	*			cis	-175.6	142.1	-13	50.5	0	0	0	0	114
12	A	25.4	Very low	28.2	Very low	96 Å²	96	125.1 Å²	125.1	79%	0.793	78%	0.78	S	S	*	*			trans	42.2	134.6	154.4	0	0	0	0	0	123.9
13	Q	23.9	Very low	27.8	Very low	194 Å²	194	124.5 Å²	124.5	91%	0.907	78%	0.781	S	S	*	*			trans	-170.7	144.7	131.1	-108.9	176.1	23.6	0	0	117.2
14	S	25.7	Very low	27.3	Very low	100 Å²	100	125.4 Å²	125.4	70%	0.699	78%	0.782	S	S	*	*			trans	-29.4	150	171.1	54.2	0	0	0	0	123
15	S	25.4	Very low	27	Very low	124 Å²	124	124 Å²	124	87%	0.867	78%	0.783	S	S	*	*				163.4	160.5	105.7	55.6	0	0	0	0	114.2
16	G	24.6	Very low	26.5	Very low	75 Å²	75	125 Å²	125	77%	0.773	79%	0.79	S	S	*	*			trans	103.5	97.1	156.1	0	0	0	0	0	119
17	T	26.3	Very low	26.6	Very low	134 Å²	134	129.5 Å²	129.5	82%	0.822	80%	0.801	S	S	*	*			trans	-84	148.5	154.4	50.4	0	0	0	0	110.8
18	P	30.3	Very low	27	Very low	132 Å²	132	121 Å²	121	86%	0.857	79%	0.785	S	S	*	*				-129.5	174.9	120.2	37.4	-30.8	0	0	0	113.1
19	S	25.1	Very low	27.7	Very low	112 Å²	112	124.5 Å²	124.5	78%	0.783	79%	0.787	S	S	*	*			trans	-114.4	159.8	-163.5	-56.9	0	0	0	0	114.5
20	A	26.1	Very low	28.7	Very low	103 Å²	103	122.8 Å²	122.8	85%	0.851	78%	0.775	S	S	*	*			trans	69	151	171.4	0	0	0	0	0	116.1
21	S	25.1	Very low	29.8	Very low	119 Å²	119	118.2 Å²	118.2	83%	0.832	75%	0.75	S	S	*	*			cis	-137.6	169.6	12.9	56.3	0	0	0	0	114
22	T	27	Very low	30.9	Very low	122 Å²	122	118.1 Å²	118.1	75%	0.748	75%	0.745	S	S	*	*			trans	-86.6	127.1	-164.6	-49	0	0	0	0	114.7
23	I	25.1	Very low	31.9	Very low	168 Å²	168	113.8 Å²	113.8	86%	0.862	71%	0.708	S	S	*	*			trans	-135.1	121.3	144.4	-56.8	-179.3	0	0	0	107.3
24	S	25.8	Very low	32.7	Very low	105 Å²	105	111.9 Å²	111.9	73%	0.734	70%	0.699	S	S	*	*			trans	-112.4	117.6	177.2	-58.4	0	0	0	0	110.1
25	S	27.8	Very low	33.6	Very low	115 Å²	115	108.5 Å²	108.5	80%	0.804	67%	0.674	S	S	*	*			trans	-80.9	124.9	173.9	43.7	0	0	0	0	110.6	Q27	S25-Q27 PolarHBondContact O-N 3.43Å
26	S	28.9	Very low	34.1	Very low	123 Å²	123	107.2 Å²	107.2	86%	0.86	67%	0.665	S	S	*	*			trans	-81.1	103.7	-179.2	39.7	0	0	0	0	111.7	G28	S26-G28 PolarHBondContact O-N 3.34Å
27	Q	35.9	Very low	35	Very low	189 Å²	189	105.5 Å²	105.5	88%	0.883	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-71	124.1	166.1	-71.4	-177.8	-29.8	0	0	109.9	S25	S25-Q27 PolarHBondContact O-N 3.43Å
28	G	38.2	Very low	35.8	Very low	51 Å²	51	102.3 Å²	102.3	53%	0.526	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-74.2	137.7	175	0	0	0	0	0	111.6	S26	S26-G28 PolarHBondContact O-N 3.34Å
29	K	43.4	Very low	36.4	Very low	173 Å²	173	97.4 Å²	97.4	75%	0.752	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-75.1	144.9	173.5	-69.2	-174.4	177.4	-176.7	0	110.4
30	Q	45.2	Very low	37.5	Very low	98 Å²	98	93 Å²	93	46%	0.458	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.6	129.1	170.9	-168.9	160.3	23.8	0	0	107.9	E70 R100	Q30-E70 PolarHBondContact NE2-OE2 2.7Å; Q30-R100 HydrophobicContact CB-CG 4.28Å; Q30-R100 HydrophobicContact CG-CB 4.2Å; Q30-R100 HydrophobicContact CG-CG 4.43Å
31	Q	48.9	Very low	38.6	Very low	49 Å²	49	89.9 Å²	89.9	23%	0.229	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	145.2	-178.9	-71.1	-177.6	-90.3	0	0	110.1	D60 L99	Q31-D60 PolarHBondContact NE2-O 2.96Å; Q31-L99 PolarHBondContact N-O 3.35Å; Q31-L99 PolarHBondContact O-N 2.91Å
32	V	44.7	Very low	39.8	Very low	98 Å²	98	85 Å²	85	59%	0.594	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.1	170.7	179.6	0	0	0	0	106.6	C98	V32-C98 HydrophobicContact CG2-CB 4.42Å
33	V	46.2	Very low	40.9	Very low	5 Å²	5	80.1 Å²	80.1	3%	0.03	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	125.6	-178.9	-170.5	0	0	0	0	109.1	L35 L62 I97	V33-L35 HydrophobicContact CG1-CD2 3.65Å; V33-L35 HydrophobicContact CG1-CG 4.2Å; V33-L62 HydrophobicContact CG2-CD1 4.06Å; V33-I97 PolarHBondContact N-O 3.06Å; V33-I97 PolarHBondContact O-N 2.83Å
34	E	41.3	Very low	42.1	Very low	154 Å²	154	75.7 Å²	75.7	72%	0.72	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	116.8	176	-167.8	166.4	-156.6	0	0	108.7	S36	E34-S36 PolarHBondContact O-N 2.75Å
35	L	43.8	Very low	43.2	Very low	30 Å²	30	74.1 Å²	74.1	16%	0.157	42%	0.417	C	S	.	.			trans	-100.8	67.5	-161.6	-69.9	173.9	0	0	0	113	V33 G37 Y38 I40 I97	V33-L35 HydrophobicContact CG1-CD2 3.65Å; V33-L35 HydrophobicContact CG1-CG 4.2Å; L35-G37 VanDerWaalsContact C-N 3.27Å; L35-G37 PolarHBondContact O-N 3.26Å; L35-Y38 HydrophobicContact CD2-CD2 4.17Å; L35-I40 HydrophobicContact CD1-CD1 3.84Å; L35-I40 HydrophobicContact CD2-CD1 4.15Å; L35-I97 HydrophobicContact CD1-CB 4Å; L35-I97 HydrophobicContact CD1-CD1 3.93Å; L35-I97 HydrophobicContact CD1-CG1 4.12Å
36	S	35.6	Very low	43.9	Very low	97 Å²	97	74.6 Å²	74.6	68%	0.678	42%	0.415	S	S	*	.	S	Bend	trans	-72.5	75.4	169.6	57.5	0	0	0	0	112	E34	E34-S36 PolarHBondContact O-N 2.75Å
37	G	44.1	Very low	44.7	Very low	39 Å²	39	75.1 Å²	75.1	40%	0.402	40%	0.404	S	S	.	.	S	Bend	trans	102.2	5.6	162.8	0	0	0	0	0	118.4	L35	L35-G37 VanDerWaalsContact C-N 3.27Å; L35-G37 PolarHBondContact O-N 3.26Å
38	Y	42.9	Very low	45.3	Very low	67 Å²	67	68.5 Å²	68.5	26%	0.263	39%	0.386	S	S	.	.			trans	-87.5	139	-172.4	-60.4	-77.9	0	0	0	115.3	L35 I40 P57	L35-Y38 HydrophobicContact CD2-CD2 4.17Å; Y38-I40 PolarHBondContact O-N 2.96Å; Y38-P57 HydrophobicContact CD1-CB 4.31Å; Y38-P57 HydrophobicContact CD2-CB 4.44Å; Y38-P57 HydrophobicContact CE1-CB 3.95Å; Y38-P57 HydrophobicContact CE2-CB 4.08Å
39	V	42.9	Very low	45.9	Very low	28 Å²	28	70.7 Å²	70.7	17%	0.17	38%	0.381	C	S	.	.			trans	-83.4	110.2	168.8	-179	0	0	0	0	110.7	I41 V122 A129	V39-I41 HydrophobicContact CG1-CG1 3.86Å; V39-V122 HydrophobicContact CG1-CG1 4.19Å; V39-V122 HydrophobicContact CG1-CG2 4.13Å; V39-A129 HydrophobicContact CG2-CB 3.26Å
40	I	49.5	Very low	46.6	Very low	19 Å²	19	64 Å²	64	10%	0.097	35%	0.353	C	S	.	.			trans	-94	114.4	163.2	-59	176.1	0	0	0	108.1	L35 Y38 L42 L52	L35-I40 HydrophobicContact CD1-CD1 3.84Å; L35-I40 HydrophobicContact CD2-CD1 4.15Å; Y38-I40 PolarHBondContact O-N 2.96Å; I40-L42 HydrophobicContact CG2-CD2 3.71Å; I40-L42 HydrophobicContact CG2-CG 4.12Å; I40-L52 HydrophobicContact CG1-CD1 4.46Å; I40-L52 HydrophobicContact CG2-CD1 3.92Å; I40-L52 HydrophobicContact CG2-CG 4.37Å
41	I	48.6	Very low	47	Very low	39 Å²	39	62.1 Å²	62.1	20%	0.2	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	106.9	169.7	-48.6	-179.8	0	0	0	107.5	V39 V43 Y53 A120	V39-I41 HydrophobicContact CG1-CG1 3.86Å; I41-V43 HydrophobicContact CG2-CG2 3.95Å; I41-V43 PolarHBondContact O-N 3.33Å; I41-Y53 WeakPolarHBondContact CA-O 3.38Å; I41-Y53 WeakPolarHBondContact CB-O 3.29Å; I41-Y53 WeakPolarHBondContact CG1-O 3.45Å; I41-Y53 PolarHBondContact N-O 3.43Å; I41-Y53 PolarHBondContact O-N 3.31Å; I41-Y53 VanDerWaalsContact O-N 3.08Å; I41-A120 HydrophobicContact CG2-CB 3.8Å
42	L	50.1	Low	47.3	Very low	17 Å²	17	60.6 Å²	60.6	9%	0.089	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	113.3	172.1	-61.6	176.2	0	0	0	108.8	I40 I50 I68 I88 I123	I40-L42 HydrophobicContact CG2-CD2 3.71Å; I40-L42 HydrophobicContact CG2-CG 4.12Å; L42-I50 HydrophobicContact CB-CG2 4.12Å; L42-I50 HydrophobicContact CD2-CG2 3.85Å; L42-I50 HydrophobicContact CG-CG2 4.46Å; L42-I68 HydrophobicContact CD2-CD1 3.68Å; L42-I88 HydrophobicContact CD1-CD1 3.56Å; L42-I123 HydrophobicContact CD1-CD1 4.26Å
43	V	50.9	Low	47.4	Very low	18 Å²	18	59.8 Å²	59.8	11%	0.109	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.4	176.7	179.7	0	0	0	0	109.2	I41 I50 K51 Y53 V117	I41-V43 HydrophobicContact CG2-CG2 3.95Å; I41-V43 PolarHBondContact O-N 3.33Å; V43-I50 WeakPolarHBondContact O-CA 3.35Å; V43-K51 PolarHBondContact N-O 3.1Å; V43-K51 PolarHBondContact O-N 3.31Å; V43-K51 VanDerWaalsContact O-N 3.11Å; V43-Y53 HydrophobicContact CB-CD2 3.74Å; V43-Y53 HydrophobicContact CB-CE2 3.83Å; V43-Y53 HydrophobicContact CG1-CE2 4.36Å; V43-Y53 HydrophobicContact CG2-CD2 3.49Å; V43-Y53 VanDerWaalsContact CG2-CD2 3.49Å; V43-Y53 HydrophobicContact CG2-CE2 4.01Å; V43-Y53 HydrophobicContact CG2-CG 4.22Å; V43-V117 HydrophobicContact CG1-CG1 4.11Å; V43-V117 HydrophobicContact CG1-CG2 3.92Å
44	E	48.6	Very low	47.6	Very low	76 Å²	76	60.9 Å²	60.9	36%	0.355	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	118.6	169.1	-176.6	175.5	-154.2	0	0	108.9	R81	E44-R81 IonicContact OE2-NH1 3.32Å; E44-R81 PolarHBondContact OE2-NH1 2.68Å
45	N	49.3	Very low	47.4	Very low	71 Å²	71	57.3 Å²	57.3	38%	0.38	33%	0.328	S	S	.	.			trans	-87.6	165.4	176.4	-151.3	24.8	0	0	0	110.7	E47 G48 K49	N45-E47 PolarHBondContact O-N 3.25Å; N45-G48 PolarHBondContact O-N 3.17Å; N45-K49 PolarHBondContact N-O 2.97Å
46	V	42.3	Very low	47.4	Very low	126 Å²	126	58.9 Å²	58.9	76%	0.764	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-5	-176.1	-145.3	0	0	0	0	115.3
47	E	45.4	Very low	48	Very low	134 Å²	134	55.2 Å²	55.2	63%	0.626	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	7.6	174.8	-60.7	178	-171.1	0	0	113.7	N45 K49	N45-E47 PolarHBondContact O-N 3.25Å; E47-K49 VanDerWaalsContact C-N 3.35Å; E47-K49 HydrophobicContact CB-CD 4.28Å; E47-K49 HydrophobicContact CB-CG 4.43Å; E47-K49 PolarHBondContact O-N 3.36Å; E47-K49 WeakPolarHBondContact OE2-CE 3.04Å; E47-K49 IonicContact OE2-NZ 2.77Å; E47-K49 PolarHBondContact OE2-NZ 3.17Å
48	G	48.7	Very low	48	Very low	49 Å²	49	60.8 Å²	60.8	51%	0.505	34%	0.335	S	S	.	.	S	Bend	trans	72.8	21.4	-177.4	0	0	0	0	0	114.7	N45	N45-G48 PolarHBondContact O-N 3.17Å
49	K	51.7	Low	47.8	Very low	97 Å²	97	67.3 Å²	67.3	42%	0.422	36%	0.358	S	S	.	.			trans	-105.3	135.1	-177.4	-65.7	171.6	-172.3	161	0	111.2	N45 E47	N45-K49 PolarHBondContact N-O 2.97Å; E47-K49 VanDerWaalsContact C-N 3.35Å; E47-K49 HydrophobicContact CB-CD 4.28Å; E47-K49 HydrophobicContact CB-CG 4.43Å; E47-K49 PolarHBondContact O-N 3.36Å; E47-K49 WeakPolarHBondContact OE2-CE 3.04Å; E47-K49 IonicContact OE2-NZ 2.77Å; E47-K49 PolarHBondContact OE2-NZ 3.17Å
50	I	58	Low	48.1	Very low	32 Å²	32	69 Å²	69	16%	0.164	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129	-174.8	-59	175.4	0	0	0	110.3	L42 V43 I68 L76 V84	L42-I50 HydrophobicContact CB-CG2 4.12Å; L42-I50 HydrophobicContact CD2-CG2 3.85Å; L42-I50 HydrophobicContact CG-CG2 4.46Å; V43-I50 WeakPolarHBondContact O-CA 3.35Å; I50-I68 PolarHBondContact O-N 2.65Å; I50-L76 HydrophobicContact CD1-CD1 4.37Å; I50-V84 HydrophobicContact CD1-CG1 3.96Å
51	K	54.1	Low	48.1	Very low	59 Å²	59	74.2 Å²	74.2	26%	0.257	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149.5	-177.5	-66.2	-174	177.6	-172.8	0	112.6	V43 Y53 E67	V43-K51 PolarHBondContact N-O 3.1Å; V43-K51 PolarHBondContact O-N 3.31Å; V43-K51 VanDerWaalsContact O-N 3.11Å; K51-Y53 HydrophobicContact CB-CD2 4.39Å; K51-Y53 HydrophobicContact CB-CE2 3.8Å; K51-E67 WeakPolarHBondContact CE-OE1 3.38Å; K51-E67 HydrophobicContact CG-CG 4.49Å; K51-E67 IonicContact NZ-OE1 3.78Å; K51-E67 PolarHBondContact NZ-OE1 3.45Å
52	L	53.7	Low	48.4	Very low	17 Å²	17	72.8 Å²	72.8	9%	0.089	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	117.5	-177	-173.6	127.8	0	0	0	111.2	I40 L62 G65 D66 I68	I40-L52 HydrophobicContact CG1-CD1 4.46Å; I40-L52 HydrophobicContact CG2-CD1 3.92Å; I40-L52 HydrophobicContact CG2-CG 4.37Å; L52-L62 HydrophobicContact CD1-CD2 4.43Å; L52-G65 PolarHBondContact O-N 2.88Å; L52-D66 PolarHBondContact N-O 3.23Å; L52-D66 VanDerWaalsContact N-O 3.14Å; L52-I68 HydrophobicContact CB-CD1 4.11Å; L52-I68 HydrophobicContact CB-CG1 4.2Å; L52-I68 HydrophobicContact CD1-CD1 4.17Å
53	Y	48.7	Very low	48.6	Very low	82 Å²	82	77.6 Å²	77.6	32%	0.322	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.9	169	-66.2	-90.8	0	0	0	109.9	I41 V43 K51 V64	I41-Y53 WeakPolarHBondContact CA-O 3.38Å; I41-Y53 WeakPolarHBondContact CB-O 3.29Å; I41-Y53 WeakPolarHBondContact CG1-O 3.45Å; I41-Y53 PolarHBondContact N-O 3.43Å; I41-Y53 PolarHBondContact O-N 3.31Å; I41-Y53 VanDerWaalsContact O-N 3.08Å; V43-Y53 HydrophobicContact CB-CD2 3.74Å; V43-Y53 HydrophobicContact CB-CE2 3.83Å; V43-Y53 HydrophobicContact CG1-CE2 4.36Å; V43-Y53 HydrophobicContact CG2-CD2 3.49Å; V43-Y53 VanDerWaalsContact CG2-CD2 3.49Å; V43-Y53 HydrophobicContact CG2-CE2 4.01Å; V43-Y53 HydrophobicContact CG2-CG 4.22Å; K51-Y53 HydrophobicContact CB-CD2 4.39Å; K51-Y53 HydrophobicContact CB-CE2 3.8Å; Y53-V64 HydrophobicContact CD1-CG1 4.25Å
54	G	48.5	Very low	48.7	Very low	28 Å²	28	80.8 Å²	80.8	29%	0.289	43%	0.429	S	S	.	.	S	Bend	trans	162.6	-175.5	-174.7	0	0	0	0	0	111.5	V64	G54-V64 WeakPolarHBondContact O-CG2 3.24Å
55	S	37.1	Very low	48.8	Very low	79 Å²	79	77.6 Å²	77.6	55%	0.552	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-81.7	138.4	161.8	45.5	0	0	0	0	109.2
56	P	45.2	Very low	49.4	Very low	62 Å²	62	74.5 Å²	74.5	40%	0.403	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-65.5	146.5	178.2	29.9	-35.8	0	0	0	110.9	L62	P56-L62 WeakPolarHBondContact CB-O 3.32Å
57	P	48.5	Very low	50.3	Low	21 Å²	21	70.2 Å²	70.2	14%	0.136	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-75.8	121.7	165.8	30.7	-31.1	0	0	0	109.1	Y38 R59 D60 L62	Y38-P57 HydrophobicContact CD1-CB 4.31Å; Y38-P57 HydrophobicContact CD2-CB 4.44Å; Y38-P57 HydrophobicContact CE1-CB 3.95Å; Y38-P57 HydrophobicContact CE2-CB 4.08Å; P57-R59 PolarHBondContact O-N 2.82Å; P57-D60 PolarHBondContact O-N 2.63Å; P57-L62 HydrophobicContact CG-CD1 4.31Å
58	D	42.4	Very low	51.2	Low	156 Å²	156	64.2 Å²	64.2	83%	0.834	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-2.7	-170.5	-66.8	-55.8	0	0	0	115.7
59	R	40.2	Very low	51.7	Low	203 Å²	203	63.2 Å²	63.2	77%	0.766	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-24.8	-175.3	-56.1	-173.5	77	179.7	2.2	114.9	P57	P57-R59 PolarHBondContact O-N 2.82Å
60	D	49.5	Very low	52.5	Low	64 Å²	64	59.6 Å²	59.6	34%	0.342	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	9.8	-160.8	-74.7	-69	0	0	0	116.9	Q31 P57 L62	Q31-D60 PolarHBondContact NE2-O 2.96Å; P57-D60 PolarHBondContact O-N 2.63Å; D60-L62 VanDerWaalsContact C-N 3.31Å; D60-L62 HydrophobicContact CB-CD1 4.01Å; D60-L62 PolarHBondContact O-N 3.36Å
61	N	49.5	Very low	52.8	Low	129 Å²	129	58.6 Å²	58.6	69%	0.69	31%	0.307	S	S	*	.			trans	59.1	28.1	171.2	-59.3	-89.3	0	0	0	115.8	K103	N61-K103 WeakPolarHBondContact O-CE 3.35Å; N61-K103 PolarHBondContact O-NZ 3.46Å
62	L	54.2	Low	53.3	Low	9 Å²	9	58.3 Å²	58.3	5%	0.047	31%	0.308	C	S	.	.			trans	-77.6	140.3	166.8	-74.6	99.6	0	0	0	110.8	V33 L52 P56 P57 D60 V101	V33-L62 HydrophobicContact CG2-CD1 4.06Å; L52-L62 HydrophobicContact CD1-CD2 4.43Å; P56-L62 WeakPolarHBondContact CB-O 3.32Å; P57-L62 HydrophobicContact CG-CD1 4.31Å; D60-L62 VanDerWaalsContact C-N 3.31Å; D60-L62 HydrophobicContact CB-CD1 4.01Å; D60-L62 PolarHBondContact O-N 3.36Å; L62-V101 HydrophobicContact CD2-CG1 4.4Å
63	E	53.4	Low	53.6	Low	117 Å²	117	60.1 Å²	60.1	55%	0.547	33%	0.33	S	S	.	.			trans	-115.7	152.6	-177.2	-72.4	171.6	-109.5	0	0	112.9	G65 D66 K103	E63-G65 PolarHBondContact O-N 3.07Å; E63-D66 PolarHBondContact N-OD2 2.65Å; E63-D66 PolarHBondContact O-N 3.18Å; E63-K103 IonicContact OE1-NZ 2.7Å; E63-K103 PolarHBondContact OE1-NZ 3.14Å
64	V	53.8	Low	54.2	Low	85 Å²	85	58.7 Å²	58.7	52%	0.515	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	113.6	-175.5	-168.4	0	0	0	0	110.2	Y53 G54	Y53-V64 HydrophobicContact CD1-CG1 4.25Å; G54-V64 WeakPolarHBondContact O-CG2 3.24Å
65	G	51.6	Low	54.9	Low	10 Å²	10	60.1 Å²	60.1	10%	0.103	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.7	7.8	-175.5	0	0	0	0	0	115.4	L52 E63	L52-G65 PolarHBondContact O-N 2.88Å; E63-G65 PolarHBondContact O-N 3.07Å
66	D	61	Low	56.1	Low	5 Å²	5	57.6 Å²	57.6	3%	0.027	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-63.7	147.8	165.1	-77.4	-22.6	0	0	0	111.3	L52 E63 K103 K104	L52-D66 PolarHBondContact N-O 3.23Å; L52-D66 VanDerWaalsContact N-O 3.14Å; E63-D66 PolarHBondContact N-OD2 2.65Å; E63-D66 PolarHBondContact O-N 3.18Å; D66-K103 VanDerWaalsContact OD1-CA 3.26Å; D66-K103 WeakPolarHBondContact OD1-CA 3.24Å; D66-K104 PolarHBondContact OD1-N 3.39Å
67	E	60.9	Low	56.6	Low	36 Å²	36	60.3 Å²	60.3	17%	0.168	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.9	-174.7	-177.9	170.9	-93.2	0	0	110.6	K51 L69 V101 R102	K51-E67 WeakPolarHBondContact CE-OE1 3.38Å; K51-E67 HydrophobicContact CG-CG 4.49Å; K51-E67 IonicContact NZ-OE1 3.78Å; K51-E67 PolarHBondContact NZ-OE1 3.45Å; E67-L69 HydrophobicContact CG-CD2 4.2Å; E67-V101 CarbonylContact O-C 3.54Å; E67-V101 VanDerWaalsContact O-CA 3.31Å; E67-V101 WeakPolarHBondContact O-CA 3.28Å; E67-R102 HydrophobicContact CB-CB 4.35Å; E67-R102 PolarHBondContact N-O 2.77Å; E67-R102 VanDerWaalsContact N-O 3.15Å; E67-R102 PolarHBondContact O-N 2.78Å; E67-R102 IonicContact OE2-CZ 3.27Å; E67-R102 IonicContact OE2-NH1 2.69Å; E67-R102 PolarHBondContact OE2-NH1 3.43Å
68	I	64	Low	56.8	Low	8 Å²	8	67.3 Å²	67.3	4%	0.041	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.7	-179.1	-50.1	177.4	0	0	0	108.7	L42 I50 L52 V71 L76 L99 V101	L42-I68 HydrophobicContact CD2-CD1 3.68Å; I50-I68 PolarHBondContact O-N 2.65Å; L52-I68 HydrophobicContact CB-CD1 4.11Å; L52-I68 HydrophobicContact CB-CG1 4.2Å; L52-I68 HydrophobicContact CD1-CD1 4.17Å; I68-V71 HydrophobicContact CG2-CG2 4.18Å; I68-L76 HydrophobicContact CB-CD1 4.33Å; I68-L76 HydrophobicContact CG2-CD1 3.94Å; I68-L99 HydrophobicContact CG2-CD2 4.23Å; I68-V101 HydrophobicContact CG1-CG1 4.36Å
69	L	59.8	Low	57.5	Low	29 Å²	29	62.7 Å²	62.7	15%	0.152	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-33.3	179.4	-56.2	-177	0	0	0	112.7	E67 L76 R100 R102	E67-L69 HydrophobicContact CG-CD2 4.2Å; L69-L76 PolarHBondContact O-N 2.92Å; L69-R100 PolarHBondContact N-O 3.13Å; L69-R102 HydrophobicContact CD1-CB 4.05Å; L69-R102 HydrophobicContact CG-CB 4.29Å
70	E	68.2	Low	58.2	Low	21 Å²	21	55.5 Å²	55.5	10%	0.098	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	147.6	-177	-45.5	-178.4	167.3	0	0	112.3	Q30 L74 T75 L99 R100	Q30-E70 PolarHBondContact NE2-OE2 2.7Å; E70-L74 VanDerWaalsContact CA-O 3.25Å; E70-L74 WeakPolarHBondContact CA-O 3.5Å; E70-T75 HydrophobicContact CG-CG2 4.23Å; E70-T75 PolarHBondContact OE1-OG1 2.99Å; E70-L99 WeakPolarHBondContact O-CA 3.39Å; E70-R100 HydrophobicContact CB-CB 3.75Å; E70-R100 VanDerWaalsContact CD-CD 3.48Å; E70-R100 HydrophobicContact CG-CB 3.79Å; E70-R100 HydrophobicContact CG-CG 4.46Å; E70-R100 PolarHBondContact N-O 3.3Å; E70-R100 PolarHBondContact O-N 2.98Å; E70-R100 IonicContact OE1-CZ 2.83Å; E70-R100 IonicContact OE1-NE 2.77Å; E70-R100 IonicContact OE1-NH1 3.75Å; E70-R100 PolarHBondContact OE1-NH1 2.73Å; E70-R100 WeakPolarHBondContact OE2-CD 3.24Å; E70-R100 IonicContact OE2-CZ 3.25Å; E70-R100 IonicContact OE2-NE 3.35Å; E70-R100 PolarHBondContact OE2-NE 3Å; E70-R100 IonicContact OE2-NH1 3.06Å; E70-R100 PolarHBondContact OE2-NH1 2.92Å; E70-R100 VanDerWaalsContact OE2-NH1 3.15Å; E70-R100 IonicContact OE2-NH2 2.77Å
71	V	65.4	Low	58.2	Low	10 Å²	10	57.4 Å²	57.4	6%	0.061	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	119.3	175.2	-177	0	0	0	0	109.4	I68 G73 L74 L76 H87 I97 L99	I68-V71 HydrophobicContact CG2-CG2 4.18Å; V71-G73 PolarHBondContact O-N 3.2Å; V71-L74 PolarHBondContact N-O 3.19Å; V71-L74 WeakPolarHBondContact O-CB 3.22Å; V71-L74 PolarHBondContact O-N 2.97Å; V71-L76 HydrophobicContact CG2-CD1 4.11Å; V71-L76 HydrophobicContact CG2-CD2 4.25Å; V71-L76 HydrophobicContact CG2-CG 4.44Å; V71-H87 PolarHBondContact O-NE2 3.09Å; V71-H87 VanDerWaalsContact O-NE2 3.09Å; V71-I97 HydrophobicContact CG1-CG2 3.79Å; V71-L99 HydrophobicContact CB-CD2 4.43Å; V71-L99 HydrophobicContact CG1-CD2 4.3Å; V71-L99 HydrophobicContact CG2-CD2 3.91Å
72	N	63.9	Low	58.5	Low	54 Å²	54	55.2 Å²	55.2	29%	0.289	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	42.5	-175.4	-80.3	-16.7	0	0	0	113.4	L74 C91 T96 C98	N72-L74 VanDerWaalsContact C-N 3.32Å; N72-L74 PolarHBondContact O-N 3.14Å; N72-C91 PolarHBondContact ND2-SG 3.14Å; N72-T96 PolarHBondContact ND2-O 2.86Å; N72-T96 VanDerWaalsContact ND2-O 3.1Å; N72-C98 PolarHBondContact N-O 3.11Å; N72-C98 WeakPolarHBondContact OD1-CB 3.49Å; N72-C98 PolarHBondContact OD1-N 2.83Å
73	G	58.9	Low	58.7	Low	54 Å²	54	59.6 Å²	59.6	56%	0.557	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	0.3	177.6	0	0	0	0	0	115.8	V71	V71-G73 PolarHBondContact O-N 3.2Å
74	L	61.3	Low	59	Low	52 Å²	52	54.6 Å²	54.6	27%	0.272	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.9	174.3	-178.9	132.4	0	0	0	109.9	E70 V71 N72 L76 I79 H87	E70-L74 VanDerWaalsContact CA-O 3.25Å; E70-L74 WeakPolarHBondContact CA-O 3.5Å; V71-L74 PolarHBondContact N-O 3.19Å; V71-L74 WeakPolarHBondContact O-CB 3.22Å; V71-L74 PolarHBondContact O-N 2.97Å; N72-L74 VanDerWaalsContact C-N 3.32Å; N72-L74 PolarHBondContact O-N 3.14Å; L74-L76 HydrophobicContact CD2-CD2 4.4Å; L74-I79 HydrophobicContact CD1-CD1 4.18Å; L74-I79 HydrophobicContact CD2-CD1 3.5Å; L74-I79 VanDerWaalsContact CD2-CD1 3.5Å; L74-I79 HydrophobicContact CG-CD1 3.78Å; L74-H87 WeakPolarHBondContact CB-NE2 3.33Å
75	T	63.7	Low	59.2	Low	59 Å²	59	51.1 Å²	51.1	36%	0.362	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	130.4	179.7	-46.4	0	0	0	0	111.2	E70 E77 I79	E70-T75 HydrophobicContact CG-CG2 4.23Å; E70-T75 PolarHBondContact OE1-OG1 2.99Å; T75-E77 VanDerWaalsContact C-N 3.27Å; T75-E77 HydrophobicContact CG2-CB 4.29Å; T75-E77 HydrophobicContact CG2-CG 4.23Å; T75-E77 PolarHBondContact O-N 3.19Å; T75-I79 WeakPolarHBondContact O-CD1 3.37Å
76	L	63.4	Low	59.7	Low	26 Å²	26	57.1 Å²	57.1	14%	0.136	30%	0.3	C	S	.	.			trans	-80	-3.1	-173.5	-62.1	176.1	0	0	0	114	I50 I68 L69 V71 L74 N78 V84	I50-L76 HydrophobicContact CD1-CD1 4.37Å; I68-L76 HydrophobicContact CB-CD1 4.33Å; I68-L76 HydrophobicContact CG2-CD1 3.94Å; L69-L76 PolarHBondContact O-N 2.92Å; V71-L76 HydrophobicContact CG2-CD1 4.11Å; V71-L76 HydrophobicContact CG2-CD2 4.25Å; V71-L76 HydrophobicContact CG2-CG 4.44Å; L74-L76 HydrophobicContact CD2-CD2 4.4Å; L76-N78 PolarHBondContact O-N 2.68Å; L76-V84 HydrophobicContact CD2-CG1 4.06Å; L76-V84 HydrophobicContact CD2-CG2 4.2Å
77	E	54.1	Low	59.7	Low	118 Å²	118	58.6 Å²	58.6	55%	0.551	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	120	180	-62.8	-174.4	174.7	0	0	111.2	T75	T75-E77 VanDerWaalsContact C-N 3.27Å; T75-E77 HydrophobicContact CG2-CB 4.29Å; T75-E77 HydrophobicContact CG2-CG 4.23Å; T75-E77 PolarHBondContact O-N 3.19Å
78	N	53.1	Low	59.8	Low	169 Å²	169	57.5 Å²	57.5	90%	0.904	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	16.6	178.4	-44.1	-77	0	0	0	117.2	L76	L76-N78 PolarHBondContact O-N 2.68Å
79	I	58.3	Low	59.5	Low	58 Å²	58	59 Å²	59	30%	0.297	31%	0.309	S	S	.	.			trans	-92.1	143.1	175.5	-60.9	-173.7	0	0	0	110.6	L74 T75 E83 V84	L74-I79 HydrophobicContact CD1-CD1 4.18Å; L74-I79 HydrophobicContact CD2-CD1 3.5Å; L74-I79 VanDerWaalsContact CD2-CD1 3.5Å; L74-I79 HydrophobicContact CG-CD1 3.78Å; T75-I79 WeakPolarHBondContact O-CD1 3.37Å; I79-E83 HydrophobicContact CG2-CB 3.65Å; I79-V84 HydrophobicContact CB-CG2 4.12Å; I79-V84 HydrophobicContact CG2-CG2 3.8Å
80	S	54.8	Low	59.4	Low	53 Å²	53	60.2 Å²	60.2	37%	0.371	32%	0.316	S	S	.	.			trans	-70.3	146.9	-178.1	76.5	0	0	0	0	112.4	T82 E83 V84	S80-T82 PolarHBondContact O-N 3.28Å; S80-T82 VanDerWaalsContact O-N 3.12Å; S80-E83 VanDerWaalsContact CB-OE2 3.3Å; S80-E83 WeakPolarHBondContact CB-OE2 3.42Å; S80-E83 PolarHBondContact N-OE2 3.18Å; S80-E83 PolarHBondContact O-N 2.9Å; S80-E83 VanDerWaalsContact OG-CG 3.32Å; S80-E83 WeakPolarHBondContact OG-CG 3.46Å; S80-E83 PolarHBondContact OG-N 3.15Å; S80-E83 PolarHBondContact OG-OE2 3.07Å; S80-V84 PolarHBondContact O-N 3.29Å
81	R	49.1	Very low	58.8	Low	103 Å²	103	59.6 Å²	59.6	39%	0.389	31%	0.313	S	S	.	.	H	α-helix	trans	-50.4	-39.3	179.4	173.8	171.5	155.2	152.1	-8.5	112.9	E44 I85 D119	E44-R81 IonicContact OE2-NH1 3.32Å; E44-R81 PolarHBondContact OE2-NH1 2.68Å; R81-I85 HydrophobicContact CG-CD1 4.03Å; R81-I85 WeakPolarHBondContact O-CD1 3.41Å; R81-I85 VanDerWaalsContact O-CG1 3.25Å; R81-I85 WeakPolarHBondContact O-CG1 3.23Å; R81-I85 PolarHBondContact O-N 3.13Å; R81-D119 IonicContact CZ-OD2 3.18Å; R81-D119 IonicContact NH1-OD2 2.65Å; R81-D119 PolarHBondContact NH1-OD2 3.41Å; R81-D119 IonicContact NH2-OD1 3.04Å; R81-D119 IonicContact NH2-OD2 2.68Å; R81-D119 PolarHBondContact NH2-OD2 2.83Å
82	T	54.7	Low	58.3	Low	83 Å²	83	61.9 Å²	61.9	51%	0.509	33%	0.325	S	S	.	.	H	α-helix	trans	-67.7	-38.8	178.4	-46	0	0	0	0	112.5	S80 R86 L154	S80-T82 PolarHBondContact O-N 3.28Å; S80-T82 VanDerWaalsContact O-N 3.12Å; T82-R86 PolarHBondContact O-N 3.36Å; T82-R86 VanDerWaalsContact O-N 3.07Å; T82-L154 HydrophobicContact CG2-CD1 4.36Å; T82-L154 HydrophobicContact CG2-CD2 4.48Å
83	E	58.7	Low	57.6	Low	101 Å²	101	66 Å²	66	47%	0.472	34%	0.34	S	S	.	.	H	α-helix	trans	-72.1	-38.6	178.2	-71	168.2	118.3	0	0	112.3	I79 S80 R86 H87	I79-E83 HydrophobicContact CG2-CB 3.65Å; S80-E83 VanDerWaalsContact CB-OE2 3.3Å; S80-E83 WeakPolarHBondContact CB-OE2 3.42Å; S80-E83 PolarHBondContact N-OE2 3.18Å; S80-E83 PolarHBondContact O-N 2.9Å; S80-E83 VanDerWaalsContact OG-CG 3.32Å; S80-E83 WeakPolarHBondContact OG-CG 3.46Å; S80-E83 PolarHBondContact OG-N 3.15Å; S80-E83 PolarHBondContact OG-OE2 3.07Å; E83-R86 PolarHBondContact O-N 2.93Å; E83-H87 WeakPolarHBondContact O-CB 3.34Å; E83-H87 PolarHBondContact O-N 3.22Å
84	V	60.7	Low	57.4	Low	12 Å²	12	66.6 Å²	66.6	7%	0.073	34%	0.336	C	S	.	.	H	α-helix	trans	-59.2	-47.9	173.7	176	0	0	0	0	110.4	I50 L76 I79 S80 R86 H87 I88	I50-V84 HydrophobicContact CD1-CG1 3.96Å; L76-V84 HydrophobicContact CD2-CG1 4.06Å; L76-V84 HydrophobicContact CD2-CG2 4.2Å; I79-V84 HydrophobicContact CB-CG2 4.12Å; I79-V84 HydrophobicContact CG2-CG2 3.8Å; S80-V84 PolarHBondContact O-N 3.29Å; V84-R86 PolarHBondContact O-N 2.96Å; V84-H87 PolarHBondContact O-N 3.29Å; V84-I88 HydrophobicContact CG1-CD1 3.69Å; V84-I88 WeakPolarHBondContact O-CB 3.48Å; V84-I88 WeakPolarHBondContact O-CD1 3.49Å; V84-I88 VanDerWaalsContact O-CG1 3.27Å; V84-I88 WeakPolarHBondContact O-CG1 3.44Å; V84-I88 PolarHBondContact O-N 3.19Å
85	I	58.5	Low	56.8	Low	13 Å²	13	68.9 Å²	68.9	7%	0.067	36%	0.355	C	S	.	.	H	α-helix	trans	-60.2	-43.8	177	-66.9	163.3	0	0	0	111.1	R81 H89 F121 I147 L150	R81-I85 HydrophobicContact CG-CD1 4.03Å; R81-I85 WeakPolarHBondContact O-CD1 3.41Å; R81-I85 VanDerWaalsContact O-CG1 3.25Å; R81-I85 WeakPolarHBondContact O-CG1 3.23Å; R81-I85 PolarHBondContact O-N 3.13Å; I85-H89 WeakPolarHBondContact O-CB 3.37Å; I85-H89 PolarHBondContact O-N 3.43Å; I85-F121 HydrophobicContact CD1-CE1 3.63Å; I85-F121 HydrophobicContact CD1-CE2 4.42Å; I85-F121 HydrophobicContact CD1-CZ 3.57Å; I85-F121 HydrophobicContact CG1-CD1 4.47Å; I85-F121 HydrophobicContact CG1-CE1 4.01Å; I85-F121 HydrophobicContact CG1-CZ 4.06Å; I85-I147 HydrophobicContact CG2-CD1 4.28Å; I85-I147 HydrophobicContact CG2-CG1 4.17Å; I85-L150 HydrophobicContact CD1-CD2 4.3Å; I85-L150 HydrophobicContact CG2-CD2 4.33Å
86	R	60.4	Low	56	Low	135 Å²	135	68.9 Å²	68.9	51%	0.509	36%	0.355	S	S	.	.	H	α-helix	trans	-64	-46.6	178.1	-168.9	-163.8	58.5	65.4	0.9	112	T82 E83 V84 I88 H89 D90	T82-R86 PolarHBondContact O-N 3.36Å; T82-R86 VanDerWaalsContact O-N 3.07Å; E83-R86 PolarHBondContact O-N 2.93Å; V84-R86 PolarHBondContact O-N 2.96Å; R86-I88 VanDerWaalsContact C-N 3.35Å; R86-I88 PolarHBondContact O-N 3.26Å; R86-H89 WeakPolarHBondContact O-CB 3.42Å; R86-H89 PolarHBondContact O-N 3.46Å; R86-D90 IonicContact CZ-OD2 2.67Å; R86-D90 IonicContact NH1-OD2 3.15Å; R86-D90 PolarHBondContact NH1-OD2 2.85Å; R86-D90 PolarHBondContact O-N 3.08Å
87	H	61.7	Low	55.7	Low	36 Å²	36	68.2 Å²	68.2	17%	0.167	35%	0.352	C	S	.	.	H	α-helix	trans	-61.9	-42.8	179.9	-174.1	71.8	0	0	0	111.6	V71 L74 E83 V84 D90 C91	V71-H87 PolarHBondContact O-NE2 3.09Å; V71-H87 VanDerWaalsContact O-NE2 3.09Å; L74-H87 WeakPolarHBondContact CB-NE2 3.33Å; E83-H87 WeakPolarHBondContact O-CB 3.34Å; E83-H87 PolarHBondContact O-N 3.22Å; V84-H87 PolarHBondContact O-N 3.29Å; H87-D90 PolarHBondContact O-N 3.15Å; H87-C91 PolarHBondContact O-N 2.96Å; H87-C91 PolarHBondContact O-SG 3.48Å
88	I	62.7	Low	55.8	Low	14 Å²	14	64.3 Å²	64.3	7%	0.072	34%	0.337	C	S	.	.	H	α-helix	trans	-60.6	-47.3	173.9	-70.8	166.5	0	0	0	111.1	L42 V84 R86 D90 C91 I92 I123 I147	L42-I88 HydrophobicContact CD1-CD1 3.56Å; V84-I88 HydrophobicContact CG1-CD1 3.69Å; V84-I88 WeakPolarHBondContact O-CB 3.48Å; V84-I88 WeakPolarHBondContact O-CD1 3.49Å; V84-I88 VanDerWaalsContact O-CG1 3.27Å; V84-I88 WeakPolarHBondContact O-CG1 3.44Å; V84-I88 PolarHBondContact O-N 3.19Å; R86-I88 VanDerWaalsContact C-N 3.35Å; R86-I88 PolarHBondContact O-N 3.26Å; I88-D90 VanDerWaalsContact C-N 3.27Å; I88-D90 PolarHBondContact O-N 2.95Å; I88-C91 WeakPolarHBondContact O-CB 3.31Å; I88-C91 PolarHBondContact O-N 3.38Å; I88-C91 VanDerWaalsContact O-N 3.13Å; I88-I92 HydrophobicContact CG2-CD1 4.14Å; I88-I92 WeakPolarHBondContact O-CG1 3.45Å; I88-I92 PolarHBondContact O-N 3.31Å; I88-I123 HydrophobicContact CG2-CD1 3.56Å; I88-I123 HydrophobicContact CG2-CG1 4.3Å; I88-I147 HydrophobicContact CG2-CD1 3.96Å
89	H	58.6	Low	56	Low	39 Å²	39	56.6 Å²	56.6	18%	0.181	30%	0.296	C	S	.	.	H	α-helix	trans	-58.7	-37.3	177.4	173.9	-88	0	0	0	112.9	I85 R86 I147 S151	I85-H89 WeakPolarHBondContact O-CB 3.37Å; I85-H89 PolarHBondContact O-N 3.43Å; R86-H89 WeakPolarHBondContact O-CB 3.42Å; R86-H89 PolarHBondContact O-N 3.46Å; H89-I147 HydrophobicContact CB-CD1 4.2Å; H89-I147 HydrophobicContact CB-CG1 4.32Å; H89-S151 PolarHBondContact CD2-OG 3.08Å; H89-S151 WeakPolarHBondContact NE2-CB 3.45Å; H89-S151 PolarHBondContact NE2-OG 2.93Å
90	D	56.5	Low	55.8	Low	55 Å²	55	57.9 Å²	57.9	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-75.4	-32.3	176.1	-66	-33.9	0	0	0	112.3	R86 H87 I88 I92 K93	R86-D90 IonicContact CZ-OD2 2.67Å; R86-D90 IonicContact NH1-OD2 3.15Å; R86-D90 PolarHBondContact NH1-OD2 2.85Å; R86-D90 PolarHBondContact O-N 3.08Å; H87-D90 PolarHBondContact O-N 3.15Å; I88-D90 VanDerWaalsContact C-N 3.27Å; I88-D90 PolarHBondContact O-N 2.95Å; D90-I92 VanDerWaalsContact C-N 3.34Å; D90-I92 PolarHBondContact O-N 3.32Å; D90-K93 WeakPolarHBondContact O-CB 3.25Å; D90-K93 PolarHBondContact O-N 3.48Å; D90-K93 IonicContact OD1-NZ 3.51Å; D90-K93 PolarHBondContact OD1-NZ 3.17Å
91	C	56.3	Low	56.1	Low	7 Å²	7	55.7 Å²	55.7	5%	0.047	28%	0.281	C	S	.	.	H	α-helix	trans	-66.4	-31.1	171.7	-65.7	0	0	0	0	113.4	N72 H87 I88 K93 S94 I97	N72-C91 PolarHBondContact ND2-SG 3.14Å; H87-C91 PolarHBondContact O-N 2.96Å; H87-C91 PolarHBondContact O-SG 3.48Å; I88-C91 WeakPolarHBondContact O-CB 3.31Å; I88-C91 PolarHBondContact O-N 3.38Å; I88-C91 VanDerWaalsContact O-N 3.13Å; C91-K93 VanDerWaalsContact C-N 3.3Å; C91-K93 PolarHBondContact O-N 2.7Å; C91-S94 WeakPolarHBondContact CA-OG 3.38Å; C91-S94 PolarHBondContact O-N 3Å; C91-S94 PolarHBondContact O-OG 3.47Å; C91-I97 HydrophobicContact CB-CD1 4.36Å; C91-I97 HydrophobicContact CB-CG1 4.35Å
92	I	55.3	Low	56.4	Low	58 Å²	58	56.6 Å²	56.6	30%	0.297	29%	0.285	S	S	.	.	H	α-helix	trans	-63.6	-36.4	175.5	-69.2	165.8	0	0	0	111.1	I88 D90 S94 C95 I97 I123 I147	I88-I92 HydrophobicContact CG2-CD1 4.14Å; I88-I92 WeakPolarHBondContact O-CG1 3.45Å; I88-I92 PolarHBondContact O-N 3.31Å; D90-I92 VanDerWaalsContact C-N 3.34Å; D90-I92 PolarHBondContact O-N 3.32Å; I92-S94 PolarHBondContact O-N 2.86Å; I92-C95 PolarHBondContact O-N 3.48Å; I92-C95 VanDerWaalsContact O-N 3.1Å; I92-I97 HydrophobicContact CG1-CD1 4.45Å; I92-I123 HydrophobicContact CD1-CB 4.43Å; I92-I123 HydrophobicContact CD1-CG1 4.15Å; I92-I123 HydrophobicContact CD1-CG2 3.74Å; I92-I123 HydrophobicContact CG1-CG2 3.83Å; I92-I147 HydrophobicContact CD1-CD1 4.33Å; I92-I147 HydrophobicContact CD1-CG2 4.25Å
93	K	50	Low	56.6	Low	140 Å²	140	57 Å²	57	61%	0.609	28%	0.279	S	S	*	.	H	α-helix	trans	-64.9	-25	177.5	-61.6	170.3	-174.3	161.5	0	113.2	D90 C91	D90-K93 WeakPolarHBondContact O-CB 3.25Å; D90-K93 PolarHBondContact O-N 3.48Å; D90-K93 IonicContact OD1-NZ 3.51Å; D90-K93 PolarHBondContact OD1-NZ 3.17Å; C91-K93 VanDerWaalsContact C-N 3.3Å; C91-K93 PolarHBondContact O-N 2.7Å
94	S	53.8	Low	56.5	Low	67 Å²	67	56.6 Å²	56.6	47%	0.469	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	2.3	175.9	43.8	0	0	0	0	114.2	C91 I92 T96	C91-S94 WeakPolarHBondContact CA-OG 3.38Å; C91-S94 PolarHBondContact O-N 3Å; C91-S94 PolarHBondContact O-OG 3.47Å; I92-S94 PolarHBondContact O-N 2.86Å; S94-T96 PolarHBondContact O-N 2.88Å; S94-T96 PolarHBondContact O-OG1 2.94Å
95	C	48.4	Very low	55.9	Low	100 Å²	100	63.7 Å²	63.7	68%	0.676	31%	0.313	S	S	*	.	S	Bend	trans	56.7	-5.3	178.9	-59.4	0	0	0	0	117.2	I92	I92-C95 PolarHBondContact O-N 3.48Å; I92-C95 VanDerWaalsContact O-N 3.1Å
96	T	46.4	Very low	54.9	Low	60 Å²	60	68.6 Å²	68.6	37%	0.368	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.3	-173.9	-44.1	0	0	0	0	110.4	N72 S94	N72-T96 PolarHBondContact ND2-O 2.86Å; N72-T96 VanDerWaalsContact ND2-O 3.1Å; S94-T96 PolarHBondContact O-N 2.88Å; S94-T96 PolarHBondContact O-OG1 2.94Å
97	I	58.4	Low	54.1	Low	12 Å²	12	68.1 Å²	68.1	6%	0.062	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	102.5	-178.2	-52.2	-169.5	0	0	0	111.3	V33 L35 V71 C91 I92 L99	V33-I97 PolarHBondContact N-O 3.06Å; V33-I97 PolarHBondContact O-N 2.83Å; L35-I97 HydrophobicContact CD1-CB 4Å; L35-I97 HydrophobicContact CD1-CD1 3.93Å; L35-I97 HydrophobicContact CD1-CG1 4.12Å; V71-I97 HydrophobicContact CG1-CG2 3.79Å; C91-I97 HydrophobicContact CB-CD1 4.36Å; C91-I97 HydrophobicContact CB-CG1 4.35Å; I92-I97 HydrophobicContact CG1-CD1 4.45Å; I97-L99 HydrophobicContact CG2-CD2 3.84Å; I97-L99 HydrophobicContact CG2-CG 4.3Å
98	C	54.6	Low	53.1	Low	35 Å²	35	77.1 Å²	77.1	24%	0.236	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	135.6	168.9	-49.3	0	0	0	0	110.8	V32 N72	V32-C98 HydrophobicContact CG2-CB 4.42Å; N72-C98 PolarHBondContact N-O 3.11Å; N72-C98 WeakPolarHBondContact OD1-CB 3.49Å; N72-C98 PolarHBondContact OD1-N 2.83Å
99	L	58.7	Low	51.9	Low	8 Å²	8	82.1 Å²	82.1	4%	0.042	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.8	-179.1	-61	176.8	0	0	0	110.7	Q31 I68 E70 V71 I97 V101	Q31-L99 PolarHBondContact N-O 3.35Å; Q31-L99 PolarHBondContact O-N 2.91Å; I68-L99 HydrophobicContact CG2-CD2 4.23Å; E70-L99 WeakPolarHBondContact O-CA 3.39Å; V71-L99 HydrophobicContact CB-CD2 4.43Å; V71-L99 HydrophobicContact CG1-CD2 4.3Å; V71-L99 HydrophobicContact CG2-CD2 3.91Å; I97-L99 HydrophobicContact CG2-CD2 3.84Å; I97-L99 HydrophobicContact CG2-CG 4.3Å; L99-V101 HydrophobicContact CB-CG1 4.19Å
100	R	52.7	Low	51.1	Low	84 Å²	84	84.2 Å²	84.2	32%	0.317	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	118.7	164.8	-166.8	179.7	-76.7	171.1	-6.2	107.9	Q30 L69 E70	Q30-R100 HydrophobicContact CB-CG 4.28Å; Q30-R100 HydrophobicContact CG-CB 4.2Å; Q30-R100 HydrophobicContact CG-CG 4.43Å; L69-R100 PolarHBondContact N-O 3.13Å; E70-R100 HydrophobicContact CB-CB 3.75Å; E70-R100 VanDerWaalsContact CD-CD 3.48Å; E70-R100 HydrophobicContact CG-CB 3.79Å; E70-R100 HydrophobicContact CG-CG 4.46Å; E70-R100 PolarHBondContact N-O 3.3Å; E70-R100 PolarHBondContact O-N 2.98Å; E70-R100 IonicContact OE1-CZ 2.83Å; E70-R100 IonicContact OE1-NE 2.77Å; E70-R100 IonicContact OE1-NH1 3.75Å; E70-R100 PolarHBondContact OE1-NH1 2.73Å; E70-R100 WeakPolarHBondContact OE2-CD 3.24Å; E70-R100 IonicContact OE2-CZ 3.25Å; E70-R100 IonicContact OE2-NE 3.35Å; E70-R100 PolarHBondContact OE2-NE 3Å; E70-R100 IonicContact OE2-NH1 3.06Å; E70-R100 PolarHBondContact OE2-NH1 2.92Å; E70-R100 VanDerWaalsContact OE2-NH1 3.15Å; E70-R100 IonicContact OE2-NH2 2.77Å
101	V	61.8	Low	50.3	Low	8 Å²	8	93.1 Å²	93.1	5%	0.048	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	148.2	-173	-63.4	0	0	0	0	112.1	L62 E67 I68 L99	L62-V101 HydrophobicContact CD2-CG1 4.4Å; E67-V101 CarbonylContact O-C 3.54Å; E67-V101 VanDerWaalsContact O-CA 3.31Å; E67-V101 WeakPolarHBondContact O-CA 3.28Å; I68-V101 HydrophobicContact CG1-CG1 4.36Å; L99-V101 HydrophobicContact CB-CG1 4.19Å
102	R	55.3	Low	49.3	Very low	122 Å²	122	99.4 Å²	99.4	46%	0.46	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	111.2	172.2	178.5	-176.9	-69.9	137.3	-2.2	108.5	E67 L69	E67-R102 HydrophobicContact CB-CB 4.35Å; E67-R102 PolarHBondContact N-O 2.77Å; E67-R102 VanDerWaalsContact N-O 3.15Å; E67-R102 PolarHBondContact O-N 2.78Å; E67-R102 IonicContact OE2-CZ 3.27Å; E67-R102 IonicContact OE2-NH1 2.69Å; E67-R102 PolarHBondContact OE2-NH1 3.43Å; L69-R102 HydrophobicContact CD1-CB 4.05Å; L69-R102 HydrophobicContact CG-CB 4.29Å
103	K	58.8	Low	48.7	Very low	92 Å²	92	100.7 Å²	100.7	40%	0.4	51%	0.509	S	S	.	.			trans	-63.1	138.7	179	-78.6	-134.6	159.6	-169	0	112.6	N61 E63 D66	N61-K103 WeakPolarHBondContact O-CE 3.35Å; N61-K103 PolarHBondContact O-NZ 3.46Å; E63-K103 IonicContact OE1-NZ 2.7Å; E63-K103 PolarHBondContact OE1-NZ 3.14Å; D66-K103 VanDerWaalsContact OD1-CA 3.26Å; D66-K103 WeakPolarHBondContact OD1-CA 3.24Å
104	K	56.2	Low	48	Very low	92 Å²	92	96.7 Å²	96.7	40%	0.4	51%	0.508	S	S	.	.			trans	-92.5	109.1	-176.4	-171.7	-160.8	171.9	-135.5	0	112.9	D66 D106	D66-K104 PolarHBondContact OD1-N 3.39Å; K104-D106 VanDerWaalsContact C-N 3.28Å; K104-D106 PolarHBondContact NZ-O 3.14Å; K104-D106 PolarHBondContact O-N 3.26Å
105	N	48.5	Very low	47.3	Very low	161 Å²	161	101.5 Å²	101.5	86%	0.861	53%	0.528	S	S	*	.			trans	-76.2	65.5	169.7	-71.7	-2.6	0	0	0	113
106	D	38.5	Very low	47	Very low	116 Å²	116	100.3 Å²	100.3	62%	0.62	52%	0.521	S	S	*	.			trans	-170.3	132	144.5	-125.6	-32.7	0	0	0	114.4	K104 R108	K104-D106 VanDerWaalsContact C-N 3.28Å; K104-D106 PolarHBondContact NZ-O 3.14Å; K104-D106 PolarHBondContact O-N 3.26Å; D106-R108 PolarHBondContact O-N 2.92Å
107	S	43.2	Very low	47	Very low	125 Å²	125	99.4 Å²	99.4	87%	0.874	52%	0.515	S	S	*	.	S	Bend	trans	-84.3	29.3	-171.3	58	0	0	0	0	114.7
108	R	40.7	Very low	46.3	Very low	225 Å²	225	106.4 Å²	106.4	85%	0.849	55%	0.548	S	S	*	.			trans	-137	101.4	174	-105.4	178.5	173	167.3	-1.4	110.9	D106	D106-R108 PolarHBondContact O-N 2.92Å
109	L	37.5	Very low	45.8	Very low	119 Å²	119	106.5 Å²	106.5	62%	0.623	55%	0.546	S	S	*	.			trans	-174	48.4	150.3	-108.1	167.6	0	0	0	111.7	D112	L109-D112 HydrophobicContact CD2-CB 3.91Å
110	A	41.7	Very low	45.2	Very low	83 Å²	83	106.2 Å²	106.2	69%	0.686	55%	0.545	S	S	*	.	S	Bend	trans	-86.2	148.5	155.1	0	0	0	0	0	108.5
111	W	38.8	Very low	45.2	Very low	241 Å²	241	103.2 Å²	103.2	91%	0.913	53%	0.534	S	S	*	.	S	Bend	trans	93.9	-26.4	174.9	-65	77.7	0	0	0	119.6	I113	W111-I113 PolarHBondContact O-N 3.29Å
112	D	35.3	Very low	44.5	Very low	139 Å²	139	104.3 Å²	104.3	74%	0.743	54%	0.54	S	S	*	.			trans	-81.7	60.5	176.7	-71.7	-32.6	0	0	0	113.5	L109	L109-D112 HydrophobicContact CD2-CB 3.91Å
113	I	42.8	Very low	44.3	Very low	85 Å²	85	99.2 Å²	99.2	44%	0.436	52%	0.522	S	S	.	.			trans	-104.5	67.8	165.6	-51.9	180	0	0	0	107.9	W111 V117 R141	W111-I113 PolarHBondContact O-N 3.29Å; I113-V117 HydrophobicContact CG2-CG2 4.42Å; I113-R141 PolarHBondContact O-NH2 2.94Å
114	G	36.8	Very low	43.6	Very low	56 Å²	56	96.5 Å²	96.5	58%	0.577	52%	0.517	S	S	*	.	S	Bend	trans	-141.4	72	-169.8	0	0	0	0	0	113.3
115	N	39.2	Very low	43.2	Very low	168 Å²	168	98.9 Å²	98.9	90%	0.898	54%	0.539	S	S	*	.	S	Bend	trans	128.5	-7.9	154.6	-62.4	-12.9	0	0	0	117.1
116	S	41.5	Very low	43	Very low	75 Å²	75	95.1 Å²	95.1	52%	0.524	52%	0.516	S	S	.	.			trans	-122	18.1	-171	-52.9	0	0	0	0	116.7
117	V	45.5	Very low	43.3	Very low	41 Å²	41	94.4 Å²	94.4	25%	0.248	51%	0.509	C	S	.	.			trans	-107.2	127.4	173.7	177.9	0	0	0	0	108.8	V43 I113	V43-V117 HydrophobicContact CG1-CG1 4.11Å; V43-V117 HydrophobicContact CG1-CG2 3.92Å; I113-V117 HydrophobicContact CG2-CG2 4.42Å
118	Q	44.7	Very low	43.4	Very low	159 Å²	159	94 Å²	94	74%	0.743	49%	0.493	S	S	*	.			trans	-103.5	-53.6	179.8	-65.8	-167.9	0.4	0	0	112.8	T143	Q118-T143 PolarHBondContact O-OG1 3.32Å
119	D	43.7	Very low	43.7	Very low	38 Å²	38	83.7 Å²	83.7	20%	0.203	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	155.2	-175.4	-64.3	-76.9	0	0	0	112.5	R81 F121 T143	R81-D119 IonicContact CZ-OD2 3.18Å; R81-D119 IonicContact NH1-OD2 2.65Å; R81-D119 PolarHBondContact NH1-OD2 3.41Å; R81-D119 IonicContact NH2-OD1 3.04Å; R81-D119 IonicContact NH2-OD2 2.68Å; R81-D119 PolarHBondContact NH2-OD2 2.83Å; D119-F121 HydrophobicContact CB-CE2 4.5Å; D119-F121 HydrophobicContact CB-CZ 4.49Å; D119-T143 PolarHBondContact OD1-OG1 3.28Å
120	A	46.9	Very low	44.4	Very low	1 Å²	1	83.8 Å²	83.8	1%	0.008	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	132.2	166.6	0	0	0	0	0	112	I41 V142 T143 V145	I41-A120 HydrophobicContact CG2-CB 3.8Å; A120-V142 HydrophobicContact CB-CG1 3.31Å; A120-T143 PolarHBondContact N-O 2.71Å; A120-V145 PolarHBondContact O-N 2.91Å
121	F	51.3	Low	44.9	Very low	22 Å²	22	83 Å²	83	10%	0.096	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	141.6	174.3	-53.9	-80.1	0	0	0	109.8	I85 D119 V145	I85-F121 HydrophobicContact CD1-CE1 3.63Å; I85-F121 HydrophobicContact CD1-CE2 4.42Å; I85-F121 HydrophobicContact CD1-CZ 3.57Å; I85-F121 HydrophobicContact CG1-CD1 4.47Å; I85-F121 HydrophobicContact CG1-CE1 4.01Å; I85-F121 HydrophobicContact CG1-CZ 4.06Å; D119-F121 HydrophobicContact CB-CE2 4.5Å; D119-F121 HydrophobicContact CB-CZ 4.49Å; F121-V145 HydrophobicContact CD1-CB 3.92Å; F121-V145 HydrophobicContact CD1-CG1 4.04Å; F121-V145 HydrophobicContact CE1-CB 4.05Å; F121-V145 HydrophobicContact CE1-CG1 3.99Å; F121-V145 HydrophobicContact CE1-CG2 4.25Å
122	V	47.8	Very low	45.4	Very low	30 Å²	30	78.2 Å²	78.2	18%	0.182	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.9	175.9	167.7	0	0	0	0	110.1	V39 L133	V39-V122 HydrophobicContact CG1-CG1 4.19Å; V39-V122 HydrophobicContact CG1-CG2 4.13Å; V122-L133 HydrophobicContact CB-CD2 4.22Å; V122-L133 HydrophobicContact CG2-CD1 3.78Å; V122-L133 HydrophobicContact CG2-CD2 3.67Å; V122-L133 HydrophobicContact CG2-CG 4.32Å
123	I	52	Low	46.2	Very low	15 Å²	15	73 Å²	73	8%	0.077	38%	0.384	C	S	.	.			trans	-125.6	146.6	-176.9	-57.1	173.3	0	0	0	107.2	L42 I88 I92	L42-I123 HydrophobicContact CD1-CD1 4.26Å; I88-I123 HydrophobicContact CG2-CD1 3.56Å; I88-I123 HydrophobicContact CG2-CG1 4.3Å; I92-I123 HydrophobicContact CD1-CB 4.43Å; I92-I123 HydrophobicContact CD1-CG1 4.15Å; I92-I123 HydrophobicContact CD1-CG2 3.74Å; I92-I123 HydrophobicContact CG1-CG2 3.83Å
124	A	43.7	Very low	46.7	Very low	36 Å²	36	75.5 Å²	75.5	30%	0.298	39%	0.394	S	S	.	.	S	Bend	trans	65.3	154.7	-172.2	0	0	0	0	0	115.5
125	V	46.4	Very low	47.4	Very low	141 Å²	141	80.7 Å²	80.7	86%	0.855	40%	0.396	S	S	*	.			trans	-123.2	100.3	-160.2	-176.5	0	0	0	0	110.7
126	E	45.1	Very low	47.8	Very low	83 Å²	83	76.3 Å²	76.3	39%	0.388	37%	0.372	S	S	.	.			trans	-134.9	147.5	172.7	-161.8	-134.5	-175.1	0	0	110	H128 A129 R130	E126-H128 IonicContact OE1-ND1 3.54Å; E126-H128 PolarHBondContact OE1-ND1 3.42Å; E126-H128 WeakPolarHBondContact OE2-CB 3.46Å; E126-A129 HydrophobicContact CB-CB 4Å; E126-A129 WeakPolarHBondContact O-CB 3.42Å; E126-A129 PolarHBondContact OE2-N 3.28Å; E126-A129 VanDerWaalsContact OE2-N 3.13Å; E126-R130 PolarHBondContact O-N 3.28Å; E126-R130 VanDerWaalsContact O-N 3.1Å
127	E	44.8	Very low	48.2	Very low	100 Å²	100	73.9 Å²	73.9	47%	0.467	36%	0.357	S	S	.	.	H	α-helix	trans	-67.3	-44.1	-177.1	-177.9	122.6	-98.1	0	0	112.1	A129 R130 E131	E127-A129 PolarHBondContact O-N 3.43Å; E127-R130 WeakPolarHBondContact O-CB 3.27Å; E127-R130 PolarHBondContact O-N 3.09Å; E127-R130 VanDerWaalsContact O-N 3.12Å; E127-R130 IonicContact OE1-CZ 3.96Å; E127-R130 VanDerWaalsContact OE1-CZ 3.24Å; E127-R130 IonicContact OE1-NH1 3.84Å; E127-R130 PolarHBondContact OE1-NH1 2.93Å; E127-R130 IonicContact OE1-NH2 2.89Å; E127-R130 PolarHBondContact OE1-NH2 3.04Å; E127-E131 PolarHBondContact O-N 3.44Å
128	H	45.7	Very low	48.4	Very low	118 Å²	118	75.8 Å²	75.8	55%	0.546	38%	0.377	S	S	.	.	H	α-helix	trans	-66.2	-38.1	178.8	-63.2	109.2	0	0	0	112.3	E126 R132	E126-H128 IonicContact OE1-ND1 3.54Å; E126-H128 PolarHBondContact OE1-ND1 3.42Å; E126-H128 WeakPolarHBondContact OE2-CB 3.46Å; H128-R132 VanDerWaalsContact O-CB 3.24Å; H128-R132 WeakPolarHBondContact O-CB 3.36Å; H128-R132 PolarHBondContact O-N 3.41Å
129	A	47.5	Very low	48.5	Very low	7 Å²	7	73.5 Å²	73.5	6%	0.058	37%	0.369	C	S	.	.	H	α-helix	trans	-53.6	-50.1	166.9	0	0	0	0	0	112.7	V39 E126 E127 R132 L133	V39-A129 HydrophobicContact CG2-CB 3.26Å; E126-A129 HydrophobicContact CB-CB 4Å; E126-A129 WeakPolarHBondContact O-CB 3.42Å; E126-A129 PolarHBondContact OE2-N 3.28Å; E126-A129 VanDerWaalsContact OE2-N 3.13Å; E127-A129 PolarHBondContact O-N 3.43Å; A129-R132 PolarHBondContact O-N 2.89Å; A129-L133 WeakPolarHBondContact O-CB 3.41Å; A129-L133 PolarHBondContact O-N 3.2Å
130	R	51.2	Low	48.6	Very low	122 Å²	122	79.1 Å²	79.1	46%	0.46	40%	0.399	S	S	.	.	H	α-helix	trans	-61.2	-46.1	-178.6	-148.7	-168.7	-36	105.1	-5	112.1	E126 E127 L133 Q134	E126-R130 PolarHBondContact O-N 3.28Å; E126-R130 VanDerWaalsContact O-N 3.1Å; E127-R130 WeakPolarHBondContact O-CB 3.27Å; E127-R130 PolarHBondContact O-N 3.09Å; E127-R130 VanDerWaalsContact O-N 3.12Å; E127-R130 IonicContact OE1-CZ 3.96Å; E127-R130 VanDerWaalsContact OE1-CZ 3.24Å; E127-R130 IonicContact OE1-NH1 3.84Å; E127-R130 PolarHBondContact OE1-NH1 2.93Å; E127-R130 IonicContact OE1-NH2 2.89Å; E127-R130 PolarHBondContact OE1-NH2 3.04Å; R130-L133 PolarHBondContact O-N 3.14Å; R130-Q134 WeakPolarHBondContact O-CB 3.49Å; R130-Q134 PolarHBondContact O-N 3.09Å
131	E	51.5	Low	48.4	Very low	66 Å²	66	85.8 Å²	85.8	31%	0.308	42%	0.424	S	S	.	.	H	α-helix	trans	-63.9	-41.4	175.9	-74.9	-145.8	170.5	0	0	112.4	E127 L133 Q134 R135	E127-E131 PolarHBondContact O-N 3.44Å; E131-L133 VanDerWaalsContact C-N 3.32Å; E131-L133 PolarHBondContact O-N 3.34Å; E131-Q134 PolarHBondContact O-N 3.44Å; E131-R135 WeakPolarHBondContact O-CG 3.41Å; E131-R135 PolarHBondContact O-N 2.96Å; E131-R135 IonicContact OE2-CZ 3.65Å; E131-R135 IonicContact OE2-NE 2.78Å; E131-R135 IonicContact OE2-NH2 3.37Å; E131-R135 PolarHBondContact OE2-NH2 3.25Å
132	R	50.5	Low	48.2	Very low	140 Å²	140	86.3 Å²	86.3	53%	0.528	43%	0.429	S	S	.	.	H	α-helix	trans	-62.6	-41.6	179.8	-161.9	179.5	-59.6	122.1	1.9	110.9	H128 A129 L136	H128-R132 VanDerWaalsContact O-CB 3.24Å; H128-R132 WeakPolarHBondContact O-CB 3.36Å; H128-R132 PolarHBondContact O-N 3.41Å; A129-R132 PolarHBondContact O-N 2.89Å; R132-L136 WeakPolarHBondContact O-CG 3.18Å; R132-L136 PolarHBondContact O-N 3.1Å
133	L	51.7	Low	48.3	Very low	31 Å²	31	88.4 Å²	88.4	16%	0.162	44%	0.442	C	S	.	.	H	α-helix	trans	-65.2	-45.6	172.7	-174.3	70.1	0	0	0	112.2	V122 A129 R130 E131 R135 L136 A137 P144	V122-L133 HydrophobicContact CB-CD2 4.22Å; V122-L133 HydrophobicContact CG2-CD1 3.78Å; V122-L133 HydrophobicContact CG2-CD2 3.67Å; V122-L133 HydrophobicContact CG2-CG 4.32Å; A129-L133 WeakPolarHBondContact O-CB 3.41Å; A129-L133 PolarHBondContact O-N 3.2Å; R130-L133 PolarHBondContact O-N 3.14Å; E131-L133 VanDerWaalsContact C-N 3.32Å; E131-L133 PolarHBondContact O-N 3.34Å; L133-R135 VanDerWaalsContact C-N 3.27Å; L133-R135 PolarHBondContact O-N 2.79Å; L133-L136 WeakPolarHBondContact O-CB 3.38Å; L133-L136 PolarHBondContact O-N 3.38Å; L133-A137 PolarHBondContact O-N 2.65Å; L133-P144 HydrophobicContact CD1-CB 4.04Å; L133-P144 HydrophobicContact CD2-CB 3.53Å; L133-P144 HydrophobicContact CG-CB 3.7Å
134	Q	54.1	Low	48.2	Very low	136 Å²	136	90.5 Å²	90.5	64%	0.636	46%	0.456	S	S	*	.	H	α-helix	trans	-64.1	-32.3	-179.6	-163.9	169.5	24.1	0	0	112.2	R130 E131 A138	R130-Q134 WeakPolarHBondContact O-CB 3.49Å; R130-Q134 PolarHBondContact O-N 3.09Å; E131-Q134 PolarHBondContact O-N 3.44Å; Q134-A138 WeakPolarHBondContact O-CB 3.35Å; Q134-A138 PolarHBondContact O-N 3.03Å
135	R	50.9	Low	48.5	Very low	165 Å²	165	90 Å²	90	62%	0.623	45%	0.45	S	S	*	.	H	α-helix	trans	-69.4	-31.2	171.5	-67.4	167.6	-164.1	-163.7	7.6	113	E131 L133 L139	E131-R135 WeakPolarHBondContact O-CG 3.41Å; E131-R135 PolarHBondContact O-N 2.96Å; E131-R135 IonicContact OE2-CZ 3.65Å; E131-R135 IonicContact OE2-NE 2.78Å; E131-R135 IonicContact OE2-NH2 3.37Å; E131-R135 PolarHBondContact OE2-NH2 3.25Å; L133-R135 VanDerWaalsContact C-N 3.27Å; L133-R135 PolarHBondContact O-N 2.79Å; R135-L139 WeakPolarHBondContact O-CG 3.26Å
136	L	47.2	Very low	48.7	Very low	77 Å²	77	86.8 Å²	86.8	40%	0.403	43%	0.427	S	S	.	.	H	α-helix	trans	-75	-39.6	173.3	-69.9	169.5	0	0	0	111.9	R132 L133 L139	R132-L136 WeakPolarHBondContact O-CG 3.18Å; R132-L136 PolarHBondContact O-N 3.1Å; L133-L136 WeakPolarHBondContact O-CB 3.38Å; L133-L136 PolarHBondContact O-N 3.38Å; L136-L139 WeakPolarHBondContact O-CB 3.31Å; L136-L139 PolarHBondContact O-N 3.1Å
137	A	50.8	Low	48.9	Very low	24 Å²	24	83.4 Å²	83.4	20%	0.198	41%	0.412	C	S	.	.	H	α-helix	trans	-63	-41.9	174.8	0	0	0	0	0	112	L133 L139 N140 P144	L133-A137 PolarHBondContact O-N 2.65Å; A137-L139 PolarHBondContact O-N 3.13Å; A137-N140 PolarHBondContact O-N 3Å; A137-P144 HydrophobicContact CB-CG 3.74Å
138	A	48.2	Very low	49.1	Very low	81 Å²	81	82 Å²	82	67%	0.669	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-5.9	175.9	0	0	0	0	0	114.8	Q134	Q134-A138 WeakPolarHBondContact O-CB 3.35Å; Q134-A138 PolarHBondContact O-N 3.03Å
139	L	48.3	Very low	49.3	Very low	110 Å²	110	82.6 Å²	82.6	58%	0.576	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	4.7	171.6	-65.5	169.5	0	0	0	113	R135 L136 A137 R141	R135-L139 WeakPolarHBondContact O-CG 3.26Å; L136-L139 WeakPolarHBondContact O-CB 3.31Å; L136-L139 PolarHBondContact O-N 3.1Å; A137-L139 PolarHBondContact O-N 3.13Å; L139-R141 PolarHBondContact O-N 2.7Å
140	N	44.7	Very low	49.4	Very low	157 Å²	157	84.8 Å²	84.8	84%	0.84	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	28.7	-176.7	-67.1	-8.6	0	0	0	114.5	A137	A137-N140 PolarHBondContact O-N 3Å
141	R	43	Very low	49.3	Very low	141 Å²	141	80.4 Å²	80.4	53%	0.532	41%	0.412	S	S	.	.	S	Bend	trans	-105	-13.7	-177.6	-73	171.5	77	178.2	5.4	114.7	I113 L139	I113-R141 PolarHBondContact O-NH2 2.94Å; L139-R141 PolarHBondContact O-N 2.7Å
142	V	47.7	Very low	49.3	Very low	32 Å²	32	84 Å²	84	19%	0.194	43%	0.427	C	S	.	.			trans	-153.3	135	-178.8	179.2	0	0	0	0	108.4	A120	A120-V142 HydrophobicContact CB-CG1 3.31Å
143	T	49.6	Very low	49.2	Very low	74 Å²	74	83.1 Å²	83.1	45%	0.454	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119.3	166.6	45.9	0	0	0	0	110.2	Q118 D119 A120	Q118-T143 PolarHBondContact O-OG1 3.32Å; D119-T143 PolarHBondContact OD1-OG1 3.28Å; A120-T143 PolarHBondContact N-O 2.71Å
144	P	48.8	Very low	49.2	Very low	60 Å²	60	84.4 Å²	84.4	39%	0.39	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	125.8	178.8	32.8	-34	0	0	0	111	L133 A137	L133-P144 HydrophobicContact CD1-CB 4.04Å; L133-P144 HydrophobicContact CD2-CB 3.53Å; L133-P144 HydrophobicContact CG-CB 3.7Å; A137-P144 HydrophobicContact CB-CG 3.74Å
145	V	50.7	Low	49	Very low	26 Å²	26	83.4 Å²	83.4	16%	0.158	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116	178.7	-179.5	0	0	0	0	111	A120 F121 I147 L150	A120-V145 PolarHBondContact O-N 2.91Å; F121-V145 HydrophobicContact CD1-CB 3.92Å; F121-V145 HydrophobicContact CD1-CG1 4.04Å; F121-V145 HydrophobicContact CE1-CB 4.05Å; F121-V145 HydrophobicContact CE1-CG1 3.99Å; F121-V145 HydrophobicContact CE1-CG2 4.25Å; V145-I147 PolarHBondContact O-N 3.34Å; V145-L150 HydrophobicContact CG1-CB 3.86Å; V145-L150 HydrophobicContact CG1-CD1 3.93Å; V145-L150 HydrophobicContact CG1-CD2 3.98Å; V145-L150 HydrophobicContact CG1-CG 4.13Å
146	D	51.5	Low	48.7	Very low	72 Å²	72	81.6 Å²	81.6	39%	0.385	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	109.5	166.4	178.3	-16.9	0	0	0	109.1	T148 Q149 L150	D146-T148 PolarHBondContact O-N 2.8Å; D146-T148 WeakPolarHBondContact OD1-CA 3.28Å; D146-T148 WeakPolarHBondContact OD1-CB 3.45Å; D146-T148 PolarHBondContact OD1-N 3.05Å; D146-T148 PolarHBondContact OD1-OG1 2.95Å; D146-Q149 HydrophobicContact CB-CB 4.19Å; D146-Q149 HydrophobicContact CB-CG 4.35Å; D146-Q149 PolarHBondContact O-N 2.94Å; D146-Q149 PolarHBondContact OD1-N 2.97Å; D146-Q149 WeakPolarHBondContact OD2-CG 3.4Å; D146-Q149 PolarHBondContact OD2-NE2 2.83Å; D146-L150 PolarHBondContact O-N 3.3Å
147	I	48.7	Very low	48.6	Very low	12 Å²	12	81.1 Å²	81.1	6%	0.062	43%	0.428	C	S	.	.	H	α-helix	trans	-65.7	-21.3	-176.4	-159	167.7	0	0	0	113.2	I85 I88 H89 I92 V145 S151	I85-I147 HydrophobicContact CG2-CD1 4.28Å; I85-I147 HydrophobicContact CG2-CG1 4.17Å; I88-I147 HydrophobicContact CG2-CD1 3.96Å; H89-I147 HydrophobicContact CB-CD1 4.2Å; H89-I147 HydrophobicContact CB-CG1 4.32Å; I92-I147 HydrophobicContact CD1-CD1 4.33Å; I92-I147 HydrophobicContact CD1-CG2 4.25Å; V145-I147 PolarHBondContact O-N 3.34Å; I147-S151 VanDerWaalsContact O-CB 3.25Å; I147-S151 WeakPolarHBondContact O-CB 3.44Å; I147-S151 PolarHBondContact O-N 3.04Å; I147-S151 PolarHBondContact O-OG 3.17Å
148	T	48.9	Very low	48.3	Very low	72 Å²	72	83.6 Å²	83.6	44%	0.442	44%	0.441	S	S	.	.	H	α-helix	trans	-83	-26.9	177.2	74.2	0	0	0	0	112.8	D146 S151 K152	D146-T148 PolarHBondContact O-N 2.8Å; D146-T148 WeakPolarHBondContact OD1-CA 3.28Å; D146-T148 WeakPolarHBondContact OD1-CB 3.45Å; D146-T148 PolarHBondContact OD1-N 3.05Å; D146-T148 PolarHBondContact OD1-OG1 2.95Å; T148-S151 PolarHBondContact O-OG 2.98Å; T148-K152 WeakPolarHBondContact O-CG 3.37Å
149	Q	49.9	Very low	48.3	Very low	129 Å²	129	84.9 Å²	84.9	60%	0.603	44%	0.435	S	S	*	.	H	α-helix	trans	-83	-38.9	170.7	-70.4	-178	67.3	0	0	111	D146 K152 K153	D146-Q149 HydrophobicContact CB-CB 4.19Å; D146-Q149 HydrophobicContact CB-CG 4.35Å; D146-Q149 PolarHBondContact O-N 2.94Å; D146-Q149 PolarHBondContact OD1-N 2.97Å; D146-Q149 WeakPolarHBondContact OD2-CG 3.4Å; D146-Q149 PolarHBondContact OD2-NE2 2.83Å; Q149-K152 PolarHBondContact O-N 3.46Å; Q149-K153 WeakPolarHBondContact O-CB 3.44Å; Q149-K153 PolarHBondContact O-N 2.87Å
150	L	50.1	Low	47.9	Very low	54 Å²	54	84.1 Å²	84.1	28%	0.283	44%	0.435	S	S	.	.	H	α-helix	trans	-67.6	-37.3	175.9	-155.5	89	0	0	0	111.9	I85 V145 D146 K153 L154	I85-L150 HydrophobicContact CD1-CD2 4.3Å; I85-L150 HydrophobicContact CG2-CD2 4.33Å; V145-L150 HydrophobicContact CG1-CB 3.86Å; V145-L150 HydrophobicContact CG1-CD1 3.93Å; V145-L150 HydrophobicContact CG1-CD2 3.98Å; V145-L150 HydrophobicContact CG1-CG 4.13Å; D146-L150 PolarHBondContact O-N 3.3Å; L150-K153 PolarHBondContact O-N 2.56Å; L150-L154 HydrophobicContact CD2-CD1 3.87Å; L150-L154 HydrophobicContact CG-CD1 4.08Å; L150-L154 HydrophobicContact CG-CG 4.42Å; L150-L154 WeakPolarHBondContact O-CB 3.43Å; L150-L154 VanDerWaalsContact O-CG 3.3Å; L150-L154 WeakPolarHBondContact O-CG 3.42Å; L150-L154 PolarHBondContact O-N 2.91Å
151	S	49.6	Very low	47.5	Very low	29 Å²	29	82.3 Å²	82.3	20%	0.203	42%	0.421	C	S	.	.	H	α-helix	trans	-66.5	-40.2	175.9	69	0	0	0	0	112.3	H89 I147 T148 L155	H89-S151 PolarHBondContact CD2-OG 3.08Å; H89-S151 WeakPolarHBondContact NE2-CB 3.45Å; H89-S151 PolarHBondContact NE2-OG 2.93Å; I147-S151 VanDerWaalsContact O-CB 3.25Å; I147-S151 WeakPolarHBondContact O-CB 3.44Å; I147-S151 PolarHBondContact O-N 3.04Å; I147-S151 PolarHBondContact O-OG 3.17Å; T148-S151 PolarHBondContact O-OG 2.98Å; S151-L155 WeakPolarHBondContact O-CB 2.96Å; S151-L155 PolarHBondContact O-N 2.91Å
152	K	50	Low	47.3	Very low	143 Å²	143	82.2 Å²	82.2	62%	0.622	43%	0.427	S	S	*	.	H	α-helix	trans	-59.8	-50.7	170.9	-77.3	175	-179.9	176.6	0	111.6	T148 Q149 L154 L155 E156	T148-K152 WeakPolarHBondContact O-CG 3.37Å; Q149-K152 PolarHBondContact O-N 3.46Å; K152-L154 PolarHBondContact O-N 2.85Å; K152-L155 WeakPolarHBondContact O-CB 3.38Å; K152-L155 PolarHBondContact O-N 2.87Å; K152-L155 VanDerWaalsContact O-N 3.09Å; K152-E156 WeakPolarHBondContact O-CG 3.06Å; K152-E156 PolarHBondContact O-N 2.8Å
153	K	49.7	Very low	46.7	Very low	121 Å²	121	84 Å²	84	53%	0.526	44%	0.444	S	S	.	.	H	α-helix	trans	-63.1	-41.7	-178.7	-169.4	-179.6	176.7	-173.9	0	112.4	Q149 L150 L155 E156 D157	Q149-K153 WeakPolarHBondContact O-CB 3.44Å; Q149-K153 PolarHBondContact O-N 2.87Å; L150-K153 PolarHBondContact O-N 2.56Å; K153-L155 VanDerWaalsContact C-N 3.29Å; K153-L155 PolarHBondContact O-N 2.98Å; K153-E156 PolarHBondContact O-N 3.16Å; K153-D157 WeakPolarHBondContact O-CB 3.46Å; K153-D157 VanDerWaalsContact O-CG 3.27Å; K153-D157 PolarHBondContact O-N 3.24Å
154	L	50.9	Low	46	Very low	58 Å²	58	83.6 Å²	83.6	30%	0.304	45%	0.445	S	S	.	.	H	α-helix	trans	-65.8	-31.3	174.3	-74.4	168	0	0	0	112.5	T82 L150 K152 V158	T82-L154 HydrophobicContact CG2-CD1 4.36Å; T82-L154 HydrophobicContact CG2-CD2 4.48Å; L150-L154 HydrophobicContact CD2-CD1 3.87Å; L150-L154 HydrophobicContact CG-CD1 4.08Å; L150-L154 HydrophobicContact CG-CG 4.42Å; L150-L154 WeakPolarHBondContact O-CB 3.43Å; L150-L154 VanDerWaalsContact O-CG 3.3Å; L150-L154 WeakPolarHBondContact O-CG 3.42Å; L150-L154 PolarHBondContact O-N 2.91Å; K152-L154 PolarHBondContact O-N 2.85Å; L154-V158 WeakPolarHBondContact O-CB 3.45Å; L154-V158 VanDerWaalsContact O-CG2 3.24Å; L154-V158 WeakPolarHBondContact O-CG2 3.21Å; L154-V158 PolarHBondContact O-N 3.01Å
155	L	50	Low	45.2	Very low	115 Å²	115	86.3 Å²	86.3	60%	0.602	46%	0.456	S	S	*	.	H	α-helix	trans	-70.5	-40.7	173.8	-159.5	72.4	0	0	0	111.2	S151 K152 K153 I159	S151-L155 WeakPolarHBondContact O-CB 2.96Å; S151-L155 PolarHBondContact O-N 2.91Å; K152-L155 WeakPolarHBondContact O-CB 3.38Å; K152-L155 PolarHBondContact O-N 2.87Å; K152-L155 VanDerWaalsContact O-N 3.09Å; K153-L155 VanDerWaalsContact C-N 3.29Å; K153-L155 PolarHBondContact O-N 2.98Å; L155-I159 HydrophobicContact CG-CD1 4.41Å; L155-I159 WeakPolarHBondContact O-CD1 3.34Å; L155-I159 VanDerWaalsContact O-CG1 3.23Å; L155-I159 WeakPolarHBondContact O-CG1 3.29Å; L155-I159 PolarHBondContact O-N 3.03Å
156	E	44.6	Very low	44.5	Very low	127 Å²	127	90.3 Å²	90.3	59%	0.593	48%	0.48	S	S	*	.	H	α-helix	trans	-64.5	-47.4	172.8	-70.3	173.7	150.8	0	0	111.6	K152 K153 V158 I159 V160	K152-E156 WeakPolarHBondContact O-CG 3.06Å; K152-E156 PolarHBondContact O-N 2.8Å; K153-E156 PolarHBondContact O-N 3.16Å; E156-V158 VanDerWaalsContact C-N 3.32Å; E156-V158 PolarHBondContact O-N 2.9Å; E156-I159 PolarHBondContact O-N 3.2Å; E156-I159 VanDerWaalsContact O-N 3.14Å; E156-V160 WeakPolarHBondContact O-CB 3.36Å; E156-V160 WeakPolarHBondContact O-CG2 3.38Å; E156-V160 PolarHBondContact O-N 3.28Å
157	D	44	Very low	43.7	Very low	67 Å²	67	95.3 Å²	95.3	36%	0.358	50%	0.501	S	S	.	.	H	α-helix	trans	-60.6	-39.3	177.3	-72	-30.5	0	0	0	111.3	K153 V160 H161	K153-D157 WeakPolarHBondContact O-CB 3.46Å; K153-D157 VanDerWaalsContact O-CG 3.27Å; K153-D157 PolarHBondContact O-N 3.24Å; D157-V160 PolarHBondContact O-N 2.9Å; D157-H161 WeakPolarHBondContact O-CB 3.49Å; D157-H161 PolarHBondContact O-CD2 3.48Å; D157-H161 VanDerWaalsContact O-CD2 3.25Å; D157-H161 PolarHBondContact O-N 2.93Å
158	V	45.7	Very low	42.9	Very low	76 Å²	76	98.3 Å²	98.3	46%	0.461	52%	0.523	S	S	.	.	H	α-helix	trans	-66.8	-39.7	173.8	165.8	0	0	0	0	112.2	L154 E156 Q162	L154-V158 WeakPolarHBondContact O-CB 3.45Å; L154-V158 VanDerWaalsContact O-CG2 3.24Å; L154-V158 WeakPolarHBondContact O-CG2 3.21Å; L154-V158 PolarHBondContact O-N 3.01Å; E156-V158 VanDerWaalsContact C-N 3.32Å; E156-V158 PolarHBondContact O-N 2.9Å; V158-Q162 WeakPolarHBondContact O-CB 3.28Å; V158-Q162 WeakPolarHBondContact O-CG 3.13Å; V158-Q162 PolarHBondContact O-N 3.43Å
159	I	46.9	Very low	41.8	Very low	108 Å²	108	105.4 Å²	105.4	55%	0.554	54%	0.543	S	S	*	.	H	α-helix	trans	-66.6	-39.5	176.1	-71.6	164.1	0	0	0	110.9	L155 E156 A163	L155-I159 HydrophobicContact CG-CD1 4.41Å; L155-I159 WeakPolarHBondContact O-CD1 3.34Å; L155-I159 VanDerWaalsContact O-CG1 3.23Å; L155-I159 WeakPolarHBondContact O-CG1 3.29Å; L155-I159 PolarHBondContact O-N 3.03Å; E156-I159 PolarHBondContact O-N 3.2Å; E156-I159 VanDerWaalsContact O-N 3.14Å; I159-A163 PolarHBondContact O-N 2.68Å
160	V	40.4	Very low	41	Very low	94 Å²	94	104.2 Å²	104.2	57%	0.57	55%	0.549	S	S	*	.	H	α-helix	trans	-67.9	-44.2	176.9	170.3	0	0	0	0	111.4	E156 D157 A163 S164	E156-V160 WeakPolarHBondContact O-CB 3.36Å; E156-V160 WeakPolarHBondContact O-CG2 3.38Å; E156-V160 PolarHBondContact O-N 3.28Å; D157-V160 PolarHBondContact O-N 2.9Å; V160-A163 WeakPolarHBondContact O-CB 3.42Å; V160-A163 PolarHBondContact O-N 2.8Å; V160-A163 VanDerWaalsContact O-N 3.15Å; V160-S164 PolarHBondContact O-N 2.62Å; V160-S164 VanDerWaalsContact O-N 3.15Å
161	H	37.4	Very low	39.9	Very low	118 Å²	118	107.8 Å²	107.8	55%	0.546	57%	0.573	S	S	.	*	H	α-helix	trans	-68.2	-37.3	177.4	-83.8	-66.3	0	0	0	113.1	D157 A163 S164 D165	D157-H161 WeakPolarHBondContact O-CB 3.49Å; D157-H161 PolarHBondContact O-CD2 3.48Å; D157-H161 VanDerWaalsContact O-CD2 3.25Å; D157-H161 PolarHBondContact O-N 2.93Å; H161-A163 PolarHBondContact O-N 2.89Å; H161-S164 PolarHBondContact O-N 2.77Å; H161-S164 VanDerWaalsContact O-N 3.16Å; H161-S164 PolarHBondContact O-OG 3.42Å; H161-D165 PolarHBondContact O-N 3.27Å
162	Q	37.5	Very low	38.9	Very low	140 Å²	140	111.8 Å²	111.8	65%	0.654	60%	0.601	S	S	*	*	H	α-helix	trans	-65.7	-20.1	171.8	-73.9	-175.5	14	0	0	113.3	V158 V166	V158-Q162 WeakPolarHBondContact O-CB 3.28Å; V158-Q162 WeakPolarHBondContact O-CG 3.13Å; V158-Q162 PolarHBondContact O-N 3.43Å; Q162-V166 WeakPolarHBondContact O-CG2 3.48Å
163	A	36.6	Very low	37.8	Very low	68 Å²	68	109.2 Å²	109.2	56%	0.562	61%	0.607	S	S	*	*	H	α-helix	trans	-82.9	-29.3	172.3	0	0	0	0	0	113.2	I159 V160 H161	I159-A163 PolarHBondContact O-N 2.68Å; V160-A163 WeakPolarHBondContact O-CB 3.42Å; V160-A163 PolarHBondContact O-N 2.8Å; V160-A163 VanDerWaalsContact O-N 3.15Å; H161-A163 PolarHBondContact O-N 2.89Å
164	S	33.7	Very low	36.8	Very low	67 Å²	67	109.3 Å²	109.3	47%	0.469	62%	0.623	S	S	.	*	H	α-helix	trans	-76.3	-35.1	-179.4	58.4	0	0	0	0	113.9	V160 H161 V166	V160-S164 PolarHBondContact O-N 2.62Å; V160-S164 VanDerWaalsContact O-N 3.15Å; H161-S164 PolarHBondContact O-N 2.77Å; H161-S164 VanDerWaalsContact O-N 3.16Å; H161-S164 PolarHBondContact O-OG 3.42Å; S164-V166 PolarHBondContact O-N 3.15Å
165	D	32	Very low	35.7	Very low	117 Å²	117	111 Å²	111	63%	0.626	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-80.4	0.7	-169.1	-66.2	-4	0	0	0	114	H161 H167	H161-D165 PolarHBondContact O-N 3.27Å; D165-H167 VanDerWaalsContact C-N 3.33Å; D165-H167 PolarHBondContact O-N 2.79Å
166	V	36.2	Very low	34.7	Very low	109 Å²	109	110.5 Å²	110.5	66%	0.661	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-80	-9.3	-176	179.7	0	0	0	0	113.4	Q162 S164	Q162-V166 WeakPolarHBondContact O-CG2 3.48Å; S164-V166 PolarHBondContact O-N 3.15Å
167	H	34.9	Very low	34	Very low	178 Å²	178	109.2 Å²	109.2	82%	0.824	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-106.6	12.9	-171.1	-89.8	82.1	0	0	0	116.5	D165	D165-H167 VanDerWaalsContact C-N 3.33Å; D165-H167 PolarHBondContact O-N 2.79Å
168	S	31.3	Very low	33.4	Very low	74 Å²	74	114.3 Å²	114.3	52%	0.517	69%	0.694	S	S	.	*	S	Bend	trans	-142	150.2	172.4	53.5	0	0	0	0	112.7
169	Y	26.7	Very low	32.7	Very low	222 Å²	222	114.6 Å²	114.6	87%	0.871	71%	0.705	S	S	*	*			trans	68.9	66.2	176.9	-48.7	-71	0	0	0	117.5
170	S	32.7	Very low	32	Very low	104 Å²	104	115.5 Å²	115.5	73%	0.727	72%	0.72	S	S	*	*			trans	-64.8	161	142.6	61.8	0	0	0	0	111.2
171	T	27.3	Very low	31.9	Very low	129 Å²	129	116.4 Å²	116.4	79%	0.791	73%	0.731	S	S	*	*			trans	78.8	101	172.5	-42.3	0	0	0	0	112.9
172	S	27.4	Very low	32	Very low	112 Å²	112	115.5 Å²	115.5	78%	0.783	74%	0.738	S	S	*	*				-177.3	166.9	63.2	40	0	0	0	0	114.1
173	A	28	Very low	32.1	Very low	90 Å²	90	116 Å²	116	74%	0.744	75%	0.745	S	S	*	*			trans	61.5	96.7	154.1	0	0	0	0	0	120.9
174	S	28.8	Very low	32.4	Very low	123 Å²	123	121.9 Å²	121.9	86%	0.86	75%	0.753	S	S	*	*				12.7	144.6	122.9	-41.8	0	0	0	0	119.3
175	A	28.3	Very low	32.8	Very low	94 Å²	94	122.7 Å²	122.7	78%	0.777	76%	0.758	S	S	*	*			cis	-170.1	171.7	45.1	0	0	0	0	0	116.1
176	A	29.4	Very low	33.5	Very low	103 Å²	103	125 Å²	125	85%	0.851	77%	0.765	S	S	*	*			trans	85.2	155.7	154.4	0	0	0	0	0	121.4
177	A	27.9	Very low	33.9	Very low	101 Å²	101	126 Å²	126	84%	0.835	76%	0.763	S	S	*	*			trans	77.7	65.6	166.4	0	0	0	0	0	120.6
178	I	32.3	Very low	34.7	Very low	173 Å²	173	122.5 Å²	122.5	89%	0.887	75%	0.747	S	S	*	*			trans	-54.6	157.1	142.3	-1.8	177.6	0	0	0	109.9
179	A	32.2	Very low	35.7	Very low	83 Å²	83	125.7 Å²	125.7	69%	0.686	75%	0.753	S	S	*	*			cis	-159.5	160.1	11.1	0	0	0	0	0	112.5
180	S	30.6	Very low	36.7	Very low	127 Å²	127	122 Å²	122	89%	0.888	74%	0.744	S	S	*	*			trans	175.2	47.7	150.8	40.8	0	0	0	0	114.1
181	S	37.9	Very low	37.7	Very low	113 Å²	113	123 Å²	123	79%	0.79	74%	0.737	S	S	*	*			trans	-92	106.1	-176.3	56.2	0	0	0	0	113.4
182	S	39.9	Very low	38.9	Very low	98 Å²	98	123.3 Å²	123.3	69%	0.685	73%	0.73	S	S	*	*	S	Bend	trans	-150.9	-40.5	164.4	-71.9	0	0	0	0	114.9
183	N	40.2	Very low	40.2	Very low	151 Å²	151	124.3 Å²	124.3	81%	0.807	72%	0.722	S	S	*	*	S	Bend	trans	-84.9	-7.7	-175.1	-76.6	5.6	0	0	0	115.7
184	R	43.4	Very low	41.3	Very low	192 Å²	192	126.8 Å²	126.8	73%	0.725	72%	0.718	S	S	*	*	H	α-helix	trans	-76	-28.7	-172.9	-143.2	176.4	-161.3	-133.4	5.2	113.7	Q188	R184-Q188 WeakPolarHBondContact O-CB 3.5Å; R184-Q188 PolarHBondContact O-N 3.49Å; R184-Q188 VanDerWaalsContact O-N 3.08Å
185	S	42.3	Very low	42.4	Very low	84 Å²	84	127.7 Å²	127.7	59%	0.587	71%	0.708	S	S	*	*	H	α-helix	trans	-65.3	-48.6	-168.4	-38.2	0	0	0	0	113.5	Q189	S185-Q189 WeakPolarHBondContact O-CB 3.23Å; S185-Q189 PolarHBondContact O-N 3.5Å
186	Q	45.2	Very low	44	Very low	164 Å²	164	130.1 Å²	130.1	77%	0.766	70%	0.704	S	S	*	*	H	α-helix	trans	-69.2	-41.5	-179.1	-74.4	-178.8	-23	0	0	111.8	Q188 Q189 Q190	Q186-Q188 PolarHBondContact O-N 3.41Å; Q186-Q189 PolarHBondContact O-N 2.88Å; Q186-Q190 PolarHBondContact O-N 3.33Å
187	Q	46	Very low	45.3	Very low	132 Å²	132	131.1 Å²	131.1	62%	0.617	69%	0.694	S	S	*	*	H	α-helix	trans	-66	-38.6	-179	-161	172.4	39.3	0	0	111.9	Q191	Q187-Q191 PolarHBondContact O-N 3.11Å
188	Q	51.5	Low	46.6	Very low	104 Å²	104	132.1 Å²	132.1	49%	0.486	69%	0.685	S	S	.	*	H	α-helix	trans	-70.6	-35.4	177.5	-166.4	166.3	12.3	0	0	112.5	R184 Q186 Q191 Q192	R184-Q188 WeakPolarHBondContact O-CB 3.5Å; R184-Q188 PolarHBondContact O-N 3.49Å; R184-Q188 VanDerWaalsContact O-N 3.08Å; Q186-Q188 PolarHBondContact O-N 3.41Å; Q188-Q191 PolarHBondContact O-N 3.21Å; Q188-Q192 PolarHBondContact O-N 3.2Å
189	Q	51.7	Low	47.6	Very low	141 Å²	141	126.5 Å²	126.5	66%	0.659	66%	0.661	S	S	*	*	H	α-helix	trans	-70.4	-37.4	176.4	-162.4	167.3	36.7	0	0	112.1	S185 Q186 Q192 Q193	S185-Q189 WeakPolarHBondContact O-CB 3.23Å; S185-Q189 PolarHBondContact O-N 3.5Å; Q186-Q189 PolarHBondContact O-N 2.88Å; Q189-Q192 PolarHBondContact O-N 3Å; Q189-Q193 PolarHBondContact O-N 3.48Å; Q189-Q193 VanDerWaalsContact O-N 3.15Å
190	Q	48.8	Very low	49.2	Very low	144 Å²	144	125 Å²	125	67%	0.673	65%	0.648	S	S	*	*	H	α-helix	trans	-67.8	-39.1	174.4	-164.5	171.9	36.7	0	0	112	Q186 Q193 Q194	Q186-Q190 PolarHBondContact O-N 3.33Å; Q190-Q193 PolarHBondContact O-N 3.12Å; Q190-Q194 PolarHBondContact O-N 3.31Å
191	Q	52.7	Low	50.6	Low	125 Å²	125	121.7 Å²	121.7	58%	0.584	63%	0.629	S	S	*	*	H	α-helix	trans	-64.2	-41.4	173	-79.7	-175.2	-19.8	0	0	112.7	Q187 Q188 Q193 Q194 H195	Q187-Q191 PolarHBondContact O-N 3.11Å; Q188-Q191 PolarHBondContact O-N 3.21Å; Q191-Q193 PolarHBondContact O-N 3.07Å; Q191-Q194 PolarHBondContact O-N 3.43Å; Q191-H195 WeakPolarHBondContact O-CB 3.25Å; Q191-H195 PolarHBondContact O-N 3.14Å
192	Q	52.1	Low	51.4	Low	135 Å²	135	123.2 Å²	123.2	63%	0.631	62%	0.618	S	S	*	*	H	α-helix	trans	-60.8	-44	175.4	-82.6	-174.2	-30.3	0	0	112.2	Q188 Q189 Q194 H195 Q196	Q188-Q192 PolarHBondContact O-N 3.2Å; Q189-Q192 PolarHBondContact O-N 3Å; Q192-Q194 VanDerWaalsContact C-N 3.34Å; Q192-Q194 PolarHBondContact O-N 3.15Å; Q192-H195 PolarHBondContact O-N 3.45Å; Q192-Q196 WeakPolarHBondContact O-CB 3.13Å; Q192-Q196 PolarHBondContact O-N 3Å
193	Q	55.9	Low	52.2	Low	134 Å²	134	124.7 Å²	124.7	63%	0.626	61%	0.614	S	S	*	*	H	α-helix	trans	-65.1	-37.6	178.7	-168.9	167.9	67.5	0	0	112.3	Q189 Q190 Q191 L197	Q189-Q193 PolarHBondContact O-N 3.48Å; Q189-Q193 VanDerWaalsContact O-N 3.15Å; Q190-Q193 PolarHBondContact O-N 3.12Å; Q191-Q193 PolarHBondContact O-N 3.07Å; Q193-L197 PolarHBondContact O-N 3.08Å; Q193-L197 VanDerWaalsContact O-N 3.17Å
194	Q	50.4	Low	53.2	Low	141 Å²	141	123.1 Å²	123.1	66%	0.659	61%	0.605	S	S	*	*	H	α-helix	trans	-68.6	-40.1	174.4	-172	171.9	68.4	0	0	112.3	Q190 Q191 Q192 L197 L198	Q190-Q194 PolarHBondContact O-N 3.31Å; Q191-Q194 PolarHBondContact O-N 3.43Å; Q192-Q194 VanDerWaalsContact C-N 3.34Å; Q192-Q194 PolarHBondContact O-N 3.15Å; Q194-L197 PolarHBondContact O-N 3.18Å; Q194-L198 PolarHBondContact O-N 3.28Å
195	H	52.5	Low	54.1	Low	142 Å²	142	119.2 Å²	119.2	66%	0.657	60%	0.595	S	S	*	*	H	α-helix	trans	-67.8	-37	178.2	-151.3	78.1	0	0	0	112	Q191 Q192 L198 S199	Q191-H195 WeakPolarHBondContact O-CB 3.25Å; Q191-H195 PolarHBondContact O-N 3.14Å; Q192-H195 PolarHBondContact O-N 3.45Å; H195-L198 PolarHBondContact O-N 3.09Å; H195-S199 PolarHBondContact O-N 3.03Å
196	Q	60.8	Low	54.7	Low	146 Å²	146	120 Å²	120	68%	0.682	59%	0.589	S	S	*	*	H	α-helix	trans	-71.4	-30.9	177.7	-165.8	166	44	0	0	112.9	Q192 S199 A200	Q192-Q196 WeakPolarHBondContact O-CB 3.13Å; Q192-Q196 PolarHBondContact O-N 3Å; Q196-S199 PolarHBondContact O-OG 3.32Å; Q196-S199 VanDerWaalsContact O-OG 3.12Å; Q196-A200 WeakPolarHBondContact O-CB 3.44Å; Q196-A200 PolarHBondContact O-N 3.08Å
197	L	57	Low	55.3	Low	123 Å²	123	118.7 Å²	118.7	64%	0.644	58%	0.583	S	S	*	*	H	α-helix	trans	-67.8	-40.1	167.4	-83.1	163.3	0	0	0	111.8	Q193 Q194 A201	Q193-L197 PolarHBondContact O-N 3.08Å; Q193-L197 VanDerWaalsContact O-N 3.17Å; Q194-L197 PolarHBondContact O-N 3.18Å; L197-A201 WeakPolarHBondContact O-CB 3.34Å; L197-A201 PolarHBondContact O-N 2.91Å
198	L	54.4	Low	56	Low	122 Å²	122	118.3 Å²	118.3	64%	0.639	58%	0.582	S	S	*	*	H	α-helix	trans	-67.6	-40.9	178.8	-139.9	76.1	0	0	0	112.2	Q194 H195 A201 Y202	Q194-L198 PolarHBondContact O-N 3.28Å; H195-L198 PolarHBondContact O-N 3.09Å; L198-A201 PolarHBondContact O-N 2.8Å; L198-Y202 WeakPolarHBondContact O-CB 3.28Å; L198-Y202 PolarHBondContact O-N 3.02Å
199	S	55	Low	56.3	Low	55 Å²	55	119.3 Å²	119.3	39%	0.385	59%	0.587	S	S	.	*	H	α-helix	trans	-65.9	-43.5	175.9	66.4	0	0	0	0	111.7	H195 Q196 A201 Y202 E203	H195-S199 PolarHBondContact O-N 3.03Å; Q196-S199 PolarHBondContact O-OG 3.32Å; Q196-S199 VanDerWaalsContact O-OG 3.12Å; S199-A201 VanDerWaalsContact C-N 3.32Å; S199-A201 PolarHBondContact O-N 2.77Å; S199-Y202 PolarHBondContact O-N 3.01Å; S199-Y202 VanDerWaalsContact O-N 3.14Å; S199-E203 WeakPolarHBondContact O-CG 3.4Å; S199-E203 PolarHBondContact O-N 3.5Å
200	A	64.4	Low	56.3	Low	51 Å²	51	117.1 Å²	117.1	42%	0.421	58%	0.579	S	S	.	*	H	α-helix	trans	-62.3	-38	176.9	0	0	0	0	0	112.4	Q196 L204	Q196-A200 WeakPolarHBondContact O-CB 3.44Å; Q196-A200 PolarHBondContact O-N 3.08Å; A200-L204 WeakPolarHBondContact O-CB 3.43Å; A200-L204 PolarHBondContact O-N 3.03Å
201	A	61.2	Low	56.7	Low	58 Å²	58	116.7 Å²	116.7	48%	0.479	58%	0.577	S	S	.	*	H	α-helix	trans	-64.9	-40.3	173.3	0	0	0	0	0	112.2	L197 L198 S199 L204 Q205	L197-A201 WeakPolarHBondContact O-CB 3.34Å; L197-A201 PolarHBondContact O-N 2.91Å; L198-A201 PolarHBondContact O-N 2.8Å; S199-A201 VanDerWaalsContact C-N 3.32Å; S199-A201 PolarHBondContact O-N 2.77Å; A201-L204 PolarHBondContact O-N 3.19Å; A201-Q205 WeakPolarHBondContact O-CB 3.22Å; A201-Q205 PolarHBondContact O-N 3.36Å
202	Y	54.8	Low	56.5	Low	145 Å²	145	115.2 Å²	115.2	57%	0.569	57%	0.572	S	S	*	*	H	α-helix	trans	-71.2	-36.3	179	-160.3	-108.2	0	0	0	112.8	L198 S199 Q205 Q206	L198-Y202 WeakPolarHBondContact O-CB 3.28Å; L198-Y202 PolarHBondContact O-N 3.02Å; S199-Y202 PolarHBondContact O-N 3.01Å; S199-Y202 VanDerWaalsContact O-N 3.14Å; Y202-Q205 PolarHBondContact O-N 3.3Å; Y202-Q206 PolarHBondContact O-N 2.87Å
203	E	57	Low	56.2	Low	129 Å²	129	113.9 Å²	113.9	60%	0.603	57%	0.566	S	S	*	*	H	α-helix	trans	-65.9	-42.1	171.1	-73.7	-176.3	146.2	0	0	111.6	S199 Q205 Q206 Q207	S199-E203 WeakPolarHBondContact O-CG 3.4Å; S199-E203 PolarHBondContact O-N 3.5Å; E203-Q205 VanDerWaalsContact C-N 3.32Å; E203-Q205 PolarHBondContact O-N 2.82Å; E203-Q206 PolarHBondContact O-N 3.01Å; E203-Q207 VanDerWaalsContact O-CB 3.28Å; E203-Q207 WeakPolarHBondContact O-CB 3.37Å; E203-Q207 PolarHBondContact O-N 2.68Å
204	L	61.2	Low	55.7	Low	118 Å²	118	114 Å²	114	62%	0.618	57%	0.566	S	S	*	*	H	α-helix	trans	-62.2	-40.5	174.7	-165.3	74.8	0	0	0	111.4	A200 A201 Q207 Q208	A200-L204 WeakPolarHBondContact O-CB 3.43Å; A200-L204 PolarHBondContact O-N 3.03Å; A201-L204 PolarHBondContact O-N 3.19Å; L204-Q207 PolarHBondContact O-N 2.94Å; L204-Q208 WeakPolarHBondContact O-CB 3.01Å; L204-Q208 PolarHBondContact O-N 3.13Å
205	Q	61	Low	55.4	Low	111 Å²	111	113.8 Å²	113.8	52%	0.519	57%	0.566	S	S	.	*	H	α-helix	trans	-65.4	-44.3	176.1	-168	176.1	29.7	0	0	112	A201 Y202 E203 Q208 Q209	A201-Q205 WeakPolarHBondContact O-CB 3.22Å; A201-Q205 PolarHBondContact O-N 3.36Å; Y202-Q205 PolarHBondContact O-N 3.3Å; E203-Q205 VanDerWaalsContact C-N 3.32Å; E203-Q205 PolarHBondContact O-N 2.82Å; Q205-Q208 PolarHBondContact O-N 3.4Å; Q205-Q209 WeakPolarHBondContact O-CB 3.38Å; Q205-Q209 PolarHBondContact O-N 3.33Å
206	Q	54.7	Low	55	Low	99 Å²	99	114.6 Å²	114.6	46%	0.463	57%	0.57	S	S	.	*	H	α-helix	trans	-63.3	-40.8	172.9	-82.3	-170.9	63.3	0	0	112.3	Y202 E203 Q209 L210	Y202-Q206 PolarHBondContact O-N 2.87Å; E203-Q206 PolarHBondContact O-N 3.01Å; Q206-Q209 PolarHBondContact O-N 2.9Å; Q206-L210 WeakPolarHBondContact O-CB 3.13Å; Q206-L210 WeakPolarHBondContact O-CG 3.47Å; Q206-L210 PolarHBondContact O-N 2.73Å
207	Q	57.3	Low	53.9	Low	137 Å²	137	115.1 Å²	115.1	64%	0.64	57%	0.572	S	S	*	*	H	α-helix	trans	-67.4	-38	-179.6	-161.6	168.4	110.4	0	0	111.6	E203 L204 Q211	E203-Q207 VanDerWaalsContact O-CB 3.28Å; E203-Q207 WeakPolarHBondContact O-CB 3.37Å; E203-Q207 PolarHBondContact O-N 2.68Å; L204-Q207 PolarHBondContact O-N 2.94Å; Q207-Q211 VanDerWaalsContact O-CB 3.31Å; Q207-Q211 WeakPolarHBondContact O-CB 3.4Å; Q207-Q211 PolarHBondContact O-N 3Å
208	Q	62.4	Low	52.8	Low	124 Å²	124	117.2 Å²	117.2	58%	0.579	58%	0.579	S	S	*	*	H	α-helix	trans	-64.6	-41.1	170.4	-172.2	175.5	94.6	0	0	111.9	L204 Q205 Q211 L212	L204-Q208 WeakPolarHBondContact O-CB 3.01Å; L204-Q208 PolarHBondContact O-N 3.13Å; Q205-Q208 PolarHBondContact O-N 3.4Å; Q208-Q211 PolarHBondContact O-N 3.29Å; Q208-L212 WeakPolarHBondContact O-CG 3.2Å; Q208-L212 PolarHBondContact O-N 3.25Å
209	Q	57.8	Low	51.8	Low	126 Å²	126	119.2 Å²	119.2	59%	0.589	59%	0.585	S	S	*	*	H	α-helix	trans	-69	-36.9	178.4	-161.9	170.8	104.3	0	0	112.6	Q205 Q206 L212 Q213	Q205-Q209 WeakPolarHBondContact O-CB 3.38Å; Q205-Q209 PolarHBondContact O-N 3.33Å; Q206-Q209 PolarHBondContact O-N 2.9Å; Q209-L212 PolarHBondContact O-N 2.78Å; Q209-Q213 WeakPolarHBondContact O-CB 3.5Å; Q209-Q213 PolarHBondContact O-N 2.87Å
210	L	51.4	Low	50.6	Low	94 Å²	94	124.1 Å²	124.1	49%	0.492	61%	0.607	S	S	.	*	H	α-helix	trans	-68.7	-33.9	171.6	-76.5	165.5	0	0	0	112.4	Q206 Q213 Q214	Q206-L210 WeakPolarHBondContact O-CB 3.13Å; Q206-L210 WeakPolarHBondContact O-CG 3.47Å; Q206-L210 PolarHBondContact O-N 2.73Å; L210-Q213 PolarHBondContact O-N 2.93Å; L210-Q214 PolarHBondContact O-N 2.89Å
211	Q	56.2	Low	48.7	Very low	136 Å²	136	126.8 Å²	126.8	64%	0.636	62%	0.622	S	S	*	*	H	α-helix	trans	-69	-41.2	174.4	-170.2	168.6	84.4	0	0	111.4	Q207 Q208 Q213 Q214 Q215	Q207-Q211 VanDerWaalsContact O-CB 3.31Å; Q207-Q211 WeakPolarHBondContact O-CB 3.4Å; Q207-Q211 PolarHBondContact O-N 3Å; Q208-Q211 PolarHBondContact O-N 3.29Å; Q211-Q213 VanDerWaalsContact C-N 3.33Å; Q211-Q213 PolarHBondContact O-N 2.82Å; Q211-Q214 PolarHBondContact O-N 3.01Å; Q211-Q215 WeakPolarHBondContact O-CB 3.41Å; Q211-Q215 PolarHBondContact O-N 2.91Å
212	L	48.7	Very low	47.9	Very low	93 Å²	93	129.2 Å²	129.2	49%	0.487	63%	0.633	S	S	.	*	H	α-helix	trans	-61.5	-38.8	169.6	-73.8	163.9	0	0	0	112.2	Q208 Q209 Q215 Q216	Q208-L212 WeakPolarHBondContact O-CG 3.2Å; Q208-L212 PolarHBondContact O-N 3.25Å; Q209-L212 PolarHBondContact O-N 2.78Å; L212-Q215 WeakPolarHBondContact O-CB 3.24Å; L212-Q215 PolarHBondContact O-N 3.09Å; L212-Q216 PolarHBondContact O-N 3.07Å
213	Q	46.8	Very low	46.5	Very low	108 Å²	108	129 Å²	129	51%	0.505	65%	0.647	S	S	.	*	H	α-helix	trans	-71.4	-38.4	178.9	-165.1	171.7	102.6	0	0	112.8	Q209 L210 Q211 Q215 Q216 Q217	Q209-Q213 WeakPolarHBondContact O-CB 3.5Å; Q209-Q213 PolarHBondContact O-N 2.87Å; L210-Q213 PolarHBondContact O-N 2.93Å; Q211-Q213 VanDerWaalsContact C-N 3.33Å; Q211-Q213 PolarHBondContact O-N 2.82Å; Q213-Q215 VanDerWaalsContact C-N 3.32Å; Q213-Q216 PolarHBondContact O-N 3.4Å; Q213-Q217 PolarHBondContact O-N 2.86Å; Q213-Q217 VanDerWaalsContact O-N 3.15Å
214	Q	44.7	Very low	45.1	Very low	135 Å²	135	127.4 Å²	127.4	63%	0.631	65%	0.65	S	S	*	*	H	α-helix	trans	-64.7	-36.2	169.7	-85.2	-170.9	74.9	0	0	112.2	L210 Q211 Q216 Q217	L210-Q214 PolarHBondContact O-N 2.89Å; Q211-Q214 PolarHBondContact O-N 3.01Å; Q214-Q216 VanDerWaalsContact C-N 3.3Å; Q214-Q216 PolarHBondContact O-N 2.83Å; Q214-Q217 PolarHBondContact O-N 2.87Å; Q214-Q217 VanDerWaalsContact O-N 3.14Å
215	Q	44.7	Very low	43.5	Very low	138 Å²	138	127 Å²	127	65%	0.645	66%	0.657	S	S	*	*	H	α-helix	trans	-64.2	-34.4	175.6	-163.3	170.4	99.1	0	0	111.9	Q211 L212 Q213	Q211-Q215 WeakPolarHBondContact O-CB 3.41Å; Q211-Q215 PolarHBondContact O-N 2.91Å; L212-Q215 WeakPolarHBondContact O-CB 3.24Å; L212-Q215 PolarHBondContact O-N 3.09Å; Q213-Q215 VanDerWaalsContact C-N 3.32Å
216	Q	44	Very low	41.8	Very low	159 Å²	159	129 Å²	129	74%	0.743	67%	0.67	S	S	*	*	H	α-helix	trans	-71.8	-28.4	171.1	-78	-177.5	33.2	0	0	114.1	L212 Q213 Q214 Q218	L212-Q216 PolarHBondContact O-N 3.07Å; Q213-Q216 PolarHBondContact O-N 3.4Å; Q214-Q216 VanDerWaalsContact C-N 3.3Å; Q214-Q216 PolarHBondContact O-N 2.83Å; Q216-Q218 VanDerWaalsContact C-N 3.34Å; Q216-Q218 PolarHBondContact O-N 2.77Å
217	Q	37.4	Very low	40.6	Very low	156 Å²	156	129 Å²	129	73%	0.729	68%	0.68	S	S	*	*	H	α-helix	trans	-80.5	-5.9	-178.5	-74.9	-169.4	5.7	0	0	115.1	Q213 Q214	Q213-Q217 PolarHBondContact O-N 2.86Å; Q213-Q217 VanDerWaalsContact O-N 3.15Å; Q214-Q217 PolarHBondContact O-N 2.87Å; Q214-Q217 VanDerWaalsContact O-N 3.14Å
218	Q	33.5	Very low	39.3	Very low	168 Å²	168	130.2 Å²	130.2	79%	0.785	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	0.3	175.9	-67.2	-164.6	9.7	0	0	115.3	Q216	Q216-Q218 VanDerWaalsContact C-N 3.34Å; Q216-Q218 PolarHBondContact O-N 2.77Å
219	Q	34.6	Very low	37.6	Very low	163 Å²	163	127.4 Å²	127.4	76%	0.762	70%	0.695	S	S	*	*			trans	-116.2	63.1	-180	-67.2	-160.9	-2.4	0	0	114.3
220	N	29.1	Very low	36.1	Very low	158 Å²	158	133 Å²	133	85%	0.845	71%	0.71	S	S	*	*			trans	-166	98.7	150.6	-94.1	-50.9	0	0	0	106.2
221	S	24.6	Very low	35	Very low	107 Å²	107	133.8 Å²	133.8	75%	0.748	72%	0.719	S	S	*	*	S	Bend		-173.5	-179.5	55.9	-52	0	0	0	0	109.2
222	P	44.9	Very low	33.7	Very low	110 Å²	110	135.2 Å²	135.2	71%	0.714	73%	0.726	S	S	*	*				-125.6	164.5	-53.5	37.4	-24.8	0	0	0	111.7
223	T	25.5	Very low	32.6	Very low	141 Å²	141	137.4 Å²	137.4	87%	0.865	74%	0.737	S	S	*	*			trans	174.6	151.2	139.8	24.5	0	0	0	0	115
224	S	25.7	Very low	31.5	Very low	95 Å²	95	139.2 Å²	139.2	66%	0.664	75%	0.75	S	S	*	*			trans	17.3	120.8	154	60.6	0	0	0	0	124
225	S	28.1	Very low	30.6	Very low	109 Å²	109	140.7 Å²	140.7	76%	0.762	76%	0.761	S	S	*	*				69.1	136.9	112.2	-50	0	0	0	0	124.1
226	I	26.6	Very low	29.8	Very low	154 Å²	154	137.7 Å²	137.7	79%	0.79	77%	0.767	S	S	*	*			trans	84.1	101	147.9	-66.9	160.9	0	0	0	119.7
227	S	29.7	Very low	29.1	Very low	97 Å²	97	136.6 Å²	136.6	68%	0.678	77%	0.766	S	S	*	*				39.7	135.5	117	-38.6	0	0	0	0	124.1
228	I	28.8	Very low	28.8	Very low	163 Å²	163	136.5 Å²	136.5	84%	0.836	77%	0.766	S	S	*	*			trans	75.5	108.4	143.2	-62.7	157.7	0	0	0	119.1
229	G	26.1	Very low	28.6	Very low	66 Å²	66	132.7 Å²	132.7	68%	0.68	76%	0.758	S	S	*	*				67.1	115.8	107.2	0	0	0	0	0	122.4
230	R	27.7	Very low	28.4	Very low	243 Å²	243	131.5 Å²	131.5	92%	0.917	76%	0.756	S	S	*	*			trans	63.4	121.8	144	-92	-178.2	177.3	166.1	0.6	120.8
231	T	27.7	Very low	28.4	Very low	110 Å²	110	133.6 Å²	133.6	68%	0.675	75%	0.752	S	S	*	*			trans	95	111.7	135.8	-53.7	0	0	0	0	120.1
232	E	28.1	Very low	28.6	Very low	166 Å²	166	134.5 Å²	134.5	78%	0.776	74%	0.744	S	S	*	*			trans	77.6	140.7	144.7	-77.9	171.4	-136.6	0	0	125.7
233	L	26	Very low	27.8	Very low	140 Å²	140	135.3 Å²	135.3	73%	0.733	74%	0.743	S	S	*	*			trans	73.1	107.4	144.1	-70.4	166.7	0	0	0	124.4
234	L	24.9	Very low	29.2	Very low	146 Å²	146	133.1 Å²	133.1	76%	0.764	73%	0.731	S	S	*	*				63.7	114.6	125.1	-116.1	80.1	0	0	0	124.7
235	L	24.9	Very low	29.4	Very low	165 Å²	165	140.3 Å²	140.3	86%	0.864	74%	0.743	S	S	*	*			trans	57	113.8	132.6	-84.6	170.7	0	0	0	124.4
236	G	27.1	Very low	29.5	Very low	75 Å²	75	138.5 Å²	138.5	77%	0.773	74%	0.742	S	S	*	*			trans	88.1	162.4	137.4	0	0	0	0	0	118.7
237	D	30.3	Very low	29.5	Very low	136 Å²	136	138.1 Å²	138.1	73%	0.727	74%	0.742	S	S	*	*			cis	-168.4	164.3	-24.8	-175.3	24.7	0	0	0	109.1
238	Q	30.1	Very low	29.6	Very low	155 Å²	155	144.6 Å²	144.6	72%	0.724	75%	0.751	S	S	*	*			trans	69	105.2	151.6	-95.3	-179.2	91.8	0	0	123.8
239	S	29.8	Very low	29.8	Very low	88 Å²	88	148.2 Å²	148.2	62%	0.615	75%	0.754	S	S	*	*				103.1	142.6	99	-120.2	0	0	0	0	124.8
240	L	29.9	Very low	30.1	Very low	138 Å²	138	154.8 Å²	154.8	72%	0.723	76%	0.759	S	S	*	*			trans	74.9	145.6	154.3	-52.1	166	0	0	0	118
241	R	30.8	Very low	30.2	Very low	201 Å²	201	147.5 Å²	147.5	76%	0.758	75%	0.745	S	S	*	*			cis	162	165.6	-7.8	-104.1	-177.7	-173.8	-145.9	13	106
242	Q	28.5	Very low	30.2	Very low	126 Å²	126	146 Å²	146	59%	0.589	75%	0.752	S	S	*	*			cis	-165.9	146.8	-6.7	-131.5	178.8	-50	0	0	112.6
243	D	27.8	Very low	30.2	Very low	127 Å²	127	144.1 Å²	144.1	68%	0.679	76%	0.757	S	S	*	*			trans	60.9	169.8	135.1	-83.3	-21.5	0	0	0	124.8
244	P	54.3	Low	30.2	Very low	95 Å²	95	142.2 Å²	142.2	62%	0.617	76%	0.755	S	S	*	*			cis	-145.1	-173.1	-36.1	37.7	-17.9	0	0	0	117.5
245	R	29.4	Very low	30.3	Very low	247 Å²	247	142.2 Å²	142.2	93%	0.932	75%	0.754	S	S	*	*			trans	94.6	138.7	162.2	-48.6	177.4	-144.5	-155.8	5.5	117.7
246	G	30.3	Very low	30.4	Very low	71 Å²	71	140.8 Å²	140.8	73%	0.732	75%	0.752	S	S	*	*			cis	172.3	156.7	-11.2	0	0	0	0	0	116
247	N	28.4	Very low	30.4	Very low	146 Å²	146	142.4 Å²	142.4	78%	0.781	75%	0.747	S	S	*	*			trans	68.2	144.5	175.5	-68.9	-19	0	0	0	119.3
248	R	30.6	Very low	30.4	Very low	232 Å²	232	144.2 Å²	144.2	88%	0.875	76%	0.756	S	S	*	*			cis	88.1	135.3	21.4	-61.9	169.5	175.5	179.8	-3.1	113.9
249	R	32.5	Very low	30.4	Very low	240 Å²	240	144.2 Å²	144.2	91%	0.906	76%	0.76	S	S	*	*			cis	-156.9	179.4	12.8	-103.2	-177.7	172.8	-177.2	-1.6	108.1
250	R	32.4	Very low	30.4	Very low	204 Å²	204	143.7 Å²	143.7	77%	0.77	77%	0.769	S	S	*	*			cis	-167.9	155.6	-22.2	171.7	175.7	-179	-79.5	2.2	110.4
251	S	30.6	Very low	30.4	Very low	89 Å²	89	144.9 Å²	144.9	62%	0.622	78%	0.776	S	S	*	*			trans	-14.1	132.8	164.9	-39.5	0	0	0	0	123.8
252	G	26.9	Very low	30.4	Very low	80 Å²	80	142.4 Å²	142.4	83%	0.825	78%	0.778	S	S	*	*				98.1	131.6	94	0	0	0	0	0	123.8
253	S	28.1	Very low	30.4	Very low	126 Å²	126	143.9 Å²	143.9	88%	0.881	79%	0.789	S	S	*	*			trans	105.6	141	143.1	-150.1	0	0	0	0	123.4
254	S	27	Very low	30.5	Very low	99 Å²	99	146.9 Å²	146.9	69%	0.692	80%	0.796	S	S	*	*			trans	90.3	121.6	144	-148.3	0	0	0	0	124.3
255	I	25.9	Very low	29.6	Very low	146 Å²	146	147.8 Å²	147.8	75%	0.749	80%	0.802	S	S	*	*			trans	38.2	139.7	137.3	-141	153.6	0	0	0	120.4
256	V	27.5	Very low	29.4	Very low	135 Å²	135	141.2 Å²	141.2	82%	0.818	79%	0.793	S	S	*	*				-158.2	-173.4	66.6	-135.3	0	0	0	0	114.8
257	V	28.1	Very low	29.2	Very low	109 Å²	109	145 Å²	145	66%	0.661	80%	0.795	S	S	*	*			trans	-91.7	153.8	-174.5	176	0	0	0	0	113.9
258	L	30.5	Very low	29.7	Very low	175 Å²	175	142.9 Å²	142.9	92%	0.916	79%	0.79	S	S	*	*			trans	-148.5	145.2	146.1	-89.2	-176.7	0	0	0	111.2
259	D	30.1	Very low	29.5	Very low	155 Å²	155	137.7 Å²	137.7	83%	0.829	78%	0.779	S	S	*	*			trans	-102.2	172	179.4	-63.5	-68.5	0	0	0	113.2
260	G	28.6	Very low	29.2	Very low	77 Å²	77	132.5 Å²	132.5	79%	0.794	77%	0.769	S	S	*	*			trans	177.8	92.8	171.7	0	0	0	0	0	115.5
261	D	29.3	Very low	28.9	Very low	163 Å²	163	132.2 Å²	132.2	87%	0.872	77%	0.77	S	S	*	*			trans	-68.2	165.6	164.8	-80.9	-58.3	0	0	0	111.4
262	D	31.7	Very low	28.6	Very low	149 Å²	149	135.5 Å²	135.5	80%	0.797	78%	0.779	S	S	*	*				-178.2	-177.4	68.1	-158.8	-8.1	0	0	0	112.7
263	L	29.4	Very low	28.5	Very low	156 Å²	156	137.1 Å²	137.1	82%	0.817	78%	0.777	S	S	*	*			trans	88.5	81.7	163.4	-63.2	169.4	0	0	0	119.7
264	K	27.9	Very low	28.3	Very low	190 Å²	190	134.4 Å²	134.4	83%	0.826	77%	0.769	S	S	*	*			trans	-69.8	174.3	145.8	-111.4	174.3	-173.6	174.4	0	111.3
265	P	37.4	Very low	28.2	Very low	114 Å²	114	138 Å²	138	74%	0.74	78%	0.775	S	S	*	*			cis	-120.2	-155.5	39.5	18.4	9.2	0	0	0	112.5
266	C	24.9	Very low	28.3	Very low	110 Å²	110	138.1 Å²	138.1	74%	0.743	77%	0.772	S	S	*	*			cis	-145.4	-176.7	18.2	-54.8	0	0	0	0	113.7
267	L	25.8	Very low	28.3	Very low	149 Å²	149	139.3 Å²	139.3	78%	0.78	77%	0.769	S	S	*	*			trans	-143.5	-173.1	175.5	-64.7	176.6	0	0	0	107.3
268	P	37.9	Very low	28.1	Very low	103 Å²	103	141 Å²	141	67%	0.669	77%	0.773	S	S	*	*			cis	-135	164	-1	29	-4.8	0	0	0	117.2
269	D	25.9	Very low	27.8	Very low	123 Å²	123	140 Å²	140	66%	0.658	77%	0.769	S	S	*	*				33	156.5	106.9	-22.4	-42.3	0	0	0	120
270	D	27.1	Very low	27.7	Very low	130 Å²	130	140.2 Å²	140.2	70%	0.695	77%	0.765	S	S	*	*			cis	-169.2	168.2	1.9	-133.7	-8.4	0	0	0	115.1
271	Y	25.4	Very low	27.5	Very low	198 Å²	198	144.3 Å²	144.3	78%	0.776	76%	0.763	S	S	*	*			trans	58.2	161.7	154.2	-87.7	-128.9	0	0	0	120.6
272	I	24.8	Very low	27.3	Very low	159 Å²	159	143.6 Å²	143.6	82%	0.815	75%	0.754	S	S	*	*			cis	-154.9	163.2	49.7	-77.4	177.8	0	0	0	112.9
273	S	24.6	Very low	27.2	Very low	113 Å²	113	142.6 Å²	142.6	79%	0.79	75%	0.745	S	S	*	*			trans	-53.3	171.3	170.4	-50.8	0	0	0	0	117.3
274	G	24.5	Very low	27.2	Very low	70 Å²	70	143.9 Å²	143.9	72%	0.722	75%	0.751	S	S	*	*			cis	158.9	-171.2	-2.8	0	0	0	0	0	113.3
275	Q	25.5	Very low	27.2	Very low	173 Å²	173	141.9 Å²	141.9	81%	0.808	75%	0.745	S	S	*	*			trans	77.6	135.2	163.5	-94.6	-174.4	-16.4	0	0	124
276	H	27.3	Very low	26.8	Very low	149 Å²	149	144.5 Å²	144.5	69%	0.69	75%	0.752	S	S	*	*			trans	60.6	156.4	150.7	-70.2	-65	0	0	0	122.2
277	H	27.3	Very low	27	Very low	161 Å²	161	148 Å²	148	75%	0.745	76%	0.757	S	S	*	*			cis	-170.6	177.6	-34.9	-150.3	74.3	0	0	0	110.9
278	L	25.1	Very low	27.1	Very low	145 Å²	145	149 Å²	149	76%	0.759	76%	0.758	S	S	*	*			trans	88.3	100.5	167.3	-78.5	111.5	0	0	0	123
279	N	24.1	Very low	26.4	Very low	152 Å²	152	152.9 Å²	152.9	81%	0.813	77%	0.768	S	S	*	*				78.7	169.1	105.8	-140.9	3.7	0	0	0	123
280	H	26.7	Very low	26.4	Very low	161 Å²	161	154.4 Å²	154.4	75%	0.745	78%	0.775	S	S	*	*			trans	-134.5	133.5	-155.3	153.3	108.5	0	0	0	112.8
281	Q	24.7	Very low	26.4	Very low	162 Å²	162	157.1 Å²	157.1	76%	0.757	78%	0.783	S	S	*	*			trans	-173.3	153.1	155.1	-104.5	176.9	35.3	0	0	105.8
282	Q	25.6	Very low	26.5	Very low	149 Å²	149	156 Å²	156	70%	0.696	79%	0.785	S	S	*	*			cis	-149	167.6	19.3	-122.9	171.8	28.3	0	0	107.2
283	Q	29.1	Very low	26.6	Very low	127 Å²	127	158 Å²	158	59%	0.593	79%	0.791	S	S	*	*			cis	-155.1	135.3	2.6	-169.9	166.3	-0.1	0	0	109.5	Q285	Q283-Q285 HydrophobicContact CG-CB 3.95Å
284	L	29	Very low	26.9	Very low	183 Å²	183	161.5 Å²	161.5	96%	0.958	79%	0.794	S	S	*	*			trans	-99.1	87.9	168.8	-116.6	172.7	0	0	0	108.8
285	Q	28.9	Very low	27.6	Very low	148 Å²	148	163.2 Å²	163.2	69%	0.692	79%	0.793	S	S	*	*			trans	-151.9	61.5	179.1	-158.1	163.7	20.7	0	0	114.6	Q283	Q283-Q285 HydrophobicContact CG-CB 3.95Å
286	L	27.7	Very low	27.5	Very low	169 Å²	169	163.3 Å²	163.3	89%	0.885	80%	0.798	S	S	*	*			trans	-154.1	59.3	158.7	-120.1	169	0	0	0	112.4
287	Q	29.8	Very low	27.3	Very low	183 Å²	183	164.9 Å²	164.9	86%	0.855	81%	0.806	S	S	*	*			trans	-96.6	97	164.2	-178.2	-176.4	94.1	0	0	109.6
288	Q	27.9	Very low	27.2	Very low	170 Å²	170	166.4 Å²	166.4	79%	0.794	81%	0.813	S	S	*	*			trans	167.7	108.2	143.6	-98.1	171.5	80.2	0	0	110.9
289	Q	24.4	Very low	27.2	Very low	186 Å²	186	167.4 Å²	167.4	87%	0.869	81%	0.814	S	S	*	*				-170.4	152.5	122.4	-107.7	177.8	16	0	0	112.3
290	L	25.7	Very low	27.5	Very low	155 Å²	155	168.3 Å²	168.3	81%	0.812	81%	0.813	S	S	*	*			trans	59.7	71.6	163.9	-60.1	177.6	0	0	0	118.3
291	Q	27	Very low	27.4	Very low	187 Å²	187	171.9 Å²	171.9	87%	0.874	82%	0.822	S	S	*	*			trans	-90.4	123.8	135.2	174.5	176.9	82.1	0	0	108.4
292	Q	27.3	Very low	27.5	Very low	174 Å²	174	172.6 Å²	172.6	81%	0.813	82%	0.817	S	S	*	*			trans	-179.1	106.5	156.2	-110.3	172.5	104.2	0	0	112.8
293	Q	25.7	Very low	27.7	Very low	200 Å²	200	171 Å²	171	94%	0.935	82%	0.818	S	S	*	*			trans	175.9	155.7	130.5	-96.7	173	61.8	0	0	109.4
294	H	30.7	Very low	27.6	Very low	187 Å²	187	174.2 Å²	174.2	87%	0.866	83%	0.832	S	S	*	*			trans	-131.3	-176.4	-168.3	-122.8	-44.4	0	0	0	110.6
295	P	40	Very low	27.6	Very low	106 Å²	106	167.7 Å²	167.7	69%	0.688	80%	0.802	S	S	*	*			trans	-113.1	179.2	-133.2	41.7	-26.8	0	0	0	114.1
296	L	23.1	Very low	27.7	Very low	175 Å²	175	162.8 Å²	162.8	92%	0.916	79%	0.792	S	S	*	*			trans	-161.5	167	150.7	-111.4	167.2	0	0	0	111.3
297	Q	23.7	Very low	28	Very low	183 Å²	183	161.3 Å²	161.3	86%	0.855	78%	0.784	S	S	*	*			trans	75.9	78.6	163.4	-157.6	166.1	73.7	0	0	119.1
298	Q	25.5	Very low	28.2	Very low	192 Å²	192	157.9 Å²	157.9	90%	0.897	77%	0.771	S	S	*	*			trans	-128.2	107.2	146.4	-79.5	-171.6	-6.6	0	0	109.2
299	Q	25.6	Very low	28.5	Very low	166 Å²	166	155 Å²	155	78%	0.776	75%	0.753	S	S	*	*			trans	-151.9	-12.1	176.1	-98.4	-62	-42.6	0	0	115
300	H	29.1	Very low	29.1	Very low	172 Å²	172	152.8 Å²	152.8	80%	0.796	74%	0.742	S	S	*	*			trans	-130.7	95.5	-175.2	-68.2	-32.3	0	0	0	112.7
301	Y	25.4	Very low	29.8	Very low	236 Å²	236	149.6 Å²	149.6	93%	0.925	73%	0.725	S	S	*	*			trans	-171.7	86.3	137.9	-100.2	-65.6	0	0	0	108.2
302	R	26.5	Very low	30.5	Very low	177 Å²	177	145 Å²	145	67%	0.668	71%	0.707	S	S	*	*			trans	-148.4	55.8	-179	-160.6	-170.2	-162.4	174.4	8.7	112.2
303	T	29	Very low	31	Very low	116 Å²	116	142.1 Å²	142.1	71%	0.712	69%	0.693	S	S	*	*			trans	-141.9	39.1	-174.1	53.7	0	0	0	0	113.5
304	H	27.7	Very low	31.9	Very low	193 Å²	193	139.1 Å²	139.1	89%	0.894	68%	0.679	S	S	*	*	S	Bend	trans	-150.9	47.1	164.7	-79	-59.8	0	0	0	110.1
305	S	29.9	Very low	32.5	Very low	46 Å²	46	132.1 Å²	132.1	32%	0.322	65%	0.648	S	S	.	*			trans	-155	58.4	-179.1	50.5	0	0	0	0	111.9	R309	S305-R309 WeakPolarHBondContact O-CD 3.35Å
306	G	30.5	Very low	32.7	Very low	46 Å²	46	132.2 Å²	132.2	47%	0.474	64%	0.642	S	S	.	*	S	Bend	trans	-78.6	-84.1	164.8	0	0	0	0	0	109.3	I308 R309	G306-I308 VanDerWaalsContact C-N 3.28Å; G306-I308 PolarHBondContact O-N 2.78Å; G306-R309 WeakPolarHBondContact O-CB 3.5Å; G306-R309 PolarHBondContact O-N 3.16Å
307	D	33.3	Very low	33.6	Very low	137 Å²	137	127.4 Å²	127.4	73%	0.733	62%	0.619	S	S	*	*	H	α-helix	trans	-50.7	-37.6	-167.8	-30.8	-22.2	0	0	0	114.5	R309	D307-R309 VanDerWaalsContact C-N 3.32Å; D307-R309 PolarHBondContact O-N 2.89Å
308	I	35.2	Very low	34.5	Very low	112 Å²	112	123.8 Å²	123.8	57%	0.574	60%	0.604	S	S	*	*	H	α-helix	trans	-66.4	-33.5	177.2	-63	171.6	0	0	0	111.8	G306 D312	G306-I308 VanDerWaalsContact C-N 3.28Å; G306-I308 PolarHBondContact O-N 2.78Å; I308-D312 PolarHBondContact O-N 2.72Å
309	R	34.5	Very low	35.2	Very low	108 Å²	108	117.8 Å²	117.8	41%	0.408	58%	0.578	S	S	.	*	H	α-helix	trans	-86.6	-14.9	-170.3	-73.3	-169.5	58.8	-105.4	-15.6	115	S305 G306 D307 Q313	S305-R309 WeakPolarHBondContact O-CD 3.35Å; G306-R309 WeakPolarHBondContact O-CB 3.5Å; G306-R309 PolarHBondContact O-N 3.16Å; D307-R309 VanDerWaalsContact C-N 3.32Å; D307-R309 PolarHBondContact O-N 2.89Å; R309-Q313 WeakPolarHBondContact O-CB 3.49Å; R309-Q313 PolarHBondContact O-N 2.84Å
310	E	36.2	Very low	35.7	Very low	140 Å²	140	114 Å²	114	65%	0.654	57%	0.569	S	S	*	*	H	α-helix	trans	-77	-43.7	167.4	-75.4	173.1	139.5	0	0	109.6	D312 Q313 E314	E310-D312 PolarHBondContact O-N 2.76Å; E310-Q313 WeakPolarHBondContact O-CA 3.48Å; E310-Q313 WeakPolarHBondContact O-CB 3.35Å; E310-Q313 PolarHBondContact O-N 2.78Å; E310-E314 PolarHBondContact O-N 2.78Å
311	I	39.8	Very low	36	Very low	88 Å²	88	110.4 Å²	110.4	45%	0.451	56%	0.559	S	S	.	*	H	α-helix	trans	-59.4	-42.9	174	-59.7	170.6	0	0	0	111.6	Q313 M315 Q891	I311-Q313 VanDerWaalsContact C-N 3.26Å; I311-Q313 PolarHBondContact O-N 3.49Å; I311-M315 WeakPolarHBondContact O-CB 3.22Å; I311-M315 PolarHBondContact O-N 3.16Å; I311-Q891 VanDerWaalsContact CG2-NE2 3.28Å
312	D	43	Very low	36.5	Very low	91 Å²	91	104.4 Å²	104.4	49%	0.487	54%	0.543	S	S	.	.	H	α-helix	trans	-60.3	-34.3	172.8	-74.4	-27.7	0	0	0	112.6	I308 E310 L316	I308-D312 PolarHBondContact O-N 2.72Å; E310-D312 PolarHBondContact O-N 2.76Å; D312-L316 WeakPolarHBondContact O-CB 3.39Å; D312-L316 PolarHBondContact O-N 2.82Å
313	Q	37.5	Very low	36.6	Very low	114 Å²	114	105 Å²	105	53%	0.533	55%	0.554	S	S	.	*	H	α-helix	trans	-78.4	-38.6	-176.1	-173.1	66.6	72.9	0	0	111.7	R309 E310 I311 L316 T317	R309-Q313 WeakPolarHBondContact O-CB 3.49Å; R309-Q313 PolarHBondContact O-N 2.84Å; E310-Q313 WeakPolarHBondContact O-CA 3.48Å; E310-Q313 WeakPolarHBondContact O-CB 3.35Å; E310-Q313 PolarHBondContact O-N 2.78Å; I311-Q313 VanDerWaalsContact C-N 3.26Å; I311-Q313 PolarHBondContact O-N 3.49Å; Q313-L316 PolarHBondContact O-N 3.36Å; Q313-T317 PolarHBondContact O-N 2.82Å; Q313-T317 VanDerWaalsContact O-N 3.08Å; Q313-T317 PolarHBondContact O-OG1 3.31Å
314	E	43.3	Very low	36.6	Very low	136 Å²	136	106.1 Å²	106.1	64%	0.636	56%	0.555	S	S	*	*	H	α-helix	trans	-65.5	-43.4	170.8	-68.6	179.5	155.3	0	0	110.9	E310 T317 M318	E310-E314 PolarHBondContact O-N 2.78Å; E314-T317 WeakPolarHBondContact O-CB 3.3Å; E314-T317 PolarHBondContact O-N 3.41Å; E314-T317 VanDerWaalsContact O-N 3.1Å; E314-M318 WeakPolarHBondContact O-CG 3.3Å; E314-M318 PolarHBondContact O-N 3.41Å
315	M	44.2	Very low	37.2	Very low	41 Å²	41	104.6 Å²	104.6	20%	0.202	55%	0.554	C	S	.	*	H	α-helix	trans	-56.5	-49.7	171.2	-92.1	-81.4	-76.3	0	0	112.5	I311 T317 M318 L319 Q891 M895	I311-M315 WeakPolarHBondContact O-CB 3.22Å; I311-M315 PolarHBondContact O-N 3.16Å; M315-T317 PolarHBondContact O-N 3.31Å; M315-M318 PolarHBondContact O-N 3.29Å; M315-L319 HydrophobicContact CE-CD1 4.07Å; M315-L319 WeakPolarHBondContact O-CB 3.27Å; M315-L319 WeakPolarHBondContact O-CD1 3.32Å; M315-L319 VanDerWaalsContact O-CG 3.23Å; M315-L319 WeakPolarHBondContact O-CG 3.49Å; M315-L319 PolarHBondContact O-N 2.83Å; M315-L319 HydrophobicContact SD-CD1 4.5Å; M315-Q891 HydrophobicContact CE-CG 4.4Å; M315-Q891 HydrophobicContact CG-CG 4.35Å; M315-Q891 HydrophobicContact SD-CG 4.13Å; M315-M895 HydrophobicContact CE-CB 4.21Å; M315-M895 HydrophobicContact CE-CE 4.31Å; M315-M895 HydrophobicContact CE-CG 4.02Å; M315-M895 HydrophobicContact CE-SD 3.73Å
316	L	43.4	Very low	37.2	Very low	108 Å²	108	104.6 Å²	104.6	57%	0.565	56%	0.561	S	S	*	*	H	α-helix	trans	-61.1	-30.4	177.6	-121.8	71.6	0	0	0	112	D312 Q313 S320	D312-L316 WeakPolarHBondContact O-CB 3.39Å; D312-L316 PolarHBondContact O-N 2.82Å; Q313-L316 PolarHBondContact O-N 3.36Å; L316-S320 WeakPolarHBondContact O-CB 3.47Å; L316-S320 PolarHBondContact O-N 2.9Å; L316-S320 PolarHBondContact O-OG 2.85Å
317	T	42.7	Very low	37.4	Very low	73 Å²	73	106.1 Å²	106.1	45%	0.448	56%	0.563	S	S	.	*	H	α-helix	trans	-72.5	-51.7	176.3	-52.3	0	0	0	0	110.6	Q313 E314 M315 L319 S320 V321	Q313-T317 PolarHBondContact O-N 2.82Å; Q313-T317 VanDerWaalsContact O-N 3.08Å; Q313-T317 PolarHBondContact O-OG1 3.31Å; E314-T317 WeakPolarHBondContact O-CB 3.3Å; E314-T317 PolarHBondContact O-N 3.41Å; E314-T317 VanDerWaalsContact O-N 3.1Å; M315-T317 PolarHBondContact O-N 3.31Å; T317-L319 PolarHBondContact O-N 2.98Å; T317-S320 PolarHBondContact O-N 2.92Å; T317-V321 HydrophobicContact CG2-CG2 4.21Å; T317-V321 VanDerWaalsContact O-CG2 3.29Å; T317-V321 WeakPolarHBondContact O-CG2 3.48Å; T317-V321 PolarHBondContact O-N 3.01Å
318	M	42.3	Very low	37.8	Very low	108 Å²	108	105.6 Å²	105.6	53%	0.532	56%	0.555	S	S	.	*	H	α-helix	trans	-52.7	-38.6	173.8	-73.5	-77.1	-78.8	0	0	112.8	E314 M315 N322	E314-M318 WeakPolarHBondContact O-CG 3.3Å; E314-M318 PolarHBondContact O-N 3.41Å; M315-M318 PolarHBondContact O-N 3.29Å; M318-N322 PolarHBondContact O-ND2 3.5Å
319	L	40.1	Very low	39	Very low	66 Å²	66	105.4 Å²	105.4	35%	0.346	55%	0.548	S	S	.	.	H	α-helix	trans	-80.6	-24.2	179.1	-66.6	164.3	0	0	0	113.6	M315 T317 M895	M315-L319 HydrophobicContact CE-CD1 4.07Å; M315-L319 WeakPolarHBondContact O-CB 3.27Å; M315-L319 WeakPolarHBondContact O-CD1 3.32Å; M315-L319 VanDerWaalsContact O-CG 3.23Å; M315-L319 WeakPolarHBondContact O-CG 3.49Å; M315-L319 PolarHBondContact O-N 2.83Å; M315-L319 HydrophobicContact SD-CD1 4.5Å; T317-L319 PolarHBondContact O-N 2.98Å; L319-M895 HydrophobicContact CD1-CE 3.35Å; L319-M895 HydrophobicContact CD1-SD 4.36Å; L319-M895 HydrophobicContact CD2-CE 3.91Å; L319-M895 HydrophobicContact CG-CE 4.3Å
320	S	35.6	Very low	40.7	Very low	85 Å²	85	100.9 Å²	100.9	59%	0.594	53%	0.531	S	S	*	.	H	α-helix	trans	-92.9	-20.3	-179.3	-57.8	0	0	0	0	114.1	L316 T317 N322	L316-S320 WeakPolarHBondContact O-CB 3.47Å; L316-S320 PolarHBondContact O-N 2.9Å; L316-S320 PolarHBondContact O-OG 2.85Å; T317-S320 PolarHBondContact O-N 2.92Å; S320-N322 VanDerWaalsContact C-N 3.27Å; S320-N322 PolarHBondContact O-N 3.48Å
321	V	35.1	Very low	42.2	Very low	97 Å²	97	95.8 Å²	95.8	59%	0.588	51%	0.507	S	S	*	.	S	Bend	trans	-70.4	-21.8	178.9	165	0	0	0	0	112.7	T317 Q323	T317-V321 HydrophobicContact CG2-CG2 4.21Å; T317-V321 VanDerWaalsContact O-CG2 3.29Å; T317-V321 WeakPolarHBondContact O-CG2 3.48Å; T317-V321 PolarHBondContact O-N 3.01Å; V321-Q323 PolarHBondContact O-N 3.33Å
322	N	35.9	Very low	43.7	Very low	110 Å²	110	92.1 Å²	92.1	59%	0.588	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	61.2	-176.2	-77.8	-69.8	0	0	0	114.2	M318 S320	M318-N322 PolarHBondContact O-ND2 3.5Å; S320-N322 VanDerWaalsContact C-N 3.27Å; S320-N322 PolarHBondContact O-N 3.48Å
323	Q	29.3	Very low	44.3	Very low	190 Å²	190	88 Å²	88	89%	0.888	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	-11.9	155.4	-92.9	178.4	91.2	0	0	113.5	V321	V321-Q323 PolarHBondContact O-N 3.33Å
324	D	29.2	Very low	45.1	Very low	140 Å²	140	83.1 Å²	83.1	75%	0.749	45%	0.446	S	S	*	.	S	Bend	trans	-112.5	119.9	169.6	-87.5	-50.6	0	0	0	111.1	G326	D324-G326 VanDerWaalsContact C-N 3.29Å; D324-G326 PolarHBondContact O-N 3.47Å
325	N	39.8	Very low	45.2	Very low	160 Å²	160	79.6 Å²	79.6	86%	0.856	44%	0.436	S	S	*	.			trans	-75.6	82	168.3	-86.5	-15.6	0	0	0	109.7
326	G	30.1	Very low	45	Very low	46 Å²	46	79.8 Å²	79.8	47%	0.474	44%	0.44	S	S	.	.			trans	-82.7	165.4	-179.7	0	0	0	0	0	115.3	D324 H328	D324-G326 VanDerWaalsContact C-N 3.29Å; D324-G326 PolarHBondContact O-N 3.47Å; G326-H328 PolarHBondContact O-N 2.93Å
327	P	36	Very low	44.8	Very low	79 Å²	79	82.1 Å²	82.1	51%	0.513	45%	0.453	S	S	.	.	S	Bend	trans	-81.2	23.4	-165.9	35	-38.9	0	0	0	115.6
328	H	41.8	Very low	44.6	Very low	125 Å²	125	84.7 Å²	84.7	58%	0.579	47%	0.469	S	S	*	.			trans	-102.3	14.8	-163	-57.4	-53.6	0	0	0	115.7	G326 N733	G326-H328 PolarHBondContact O-N 2.93Å; H328-N733 PolarHBondContact ND1-O 3.45Å; H328-N733 VanDerWaalsContact ND1-O 3.12Å
329	R	59.1	Low	44.6	Very low	109 Å²	109	82.2 Å²	82.2	41%	0.411	46%	0.455	S	S	.	.			trans	-70.6	136.5	173.7	-172.2	177.6	-177.4	-98.6	2.9	110.4	E845	R329-E845 IonicContact CZ-OE1 3.21Å; R329-E845 VanDerWaalsContact CZ-OE1 3.29Å; R329-E845 IonicContact CZ-OE2 3.59Å; R329-E845 IonicContact NH1-OE1 2.8Å; R329-E845 PolarHBondContact NH1-OE1 3.25Å; R329-E845 IonicContact NH1-OE2 3.97Å; R329-E845 IonicContact NH2-OE1 2.71Å; R329-E845 PolarHBondContact NH2-OE1 3.21Å; R329-E845 IonicContact NH2-OE2 2.78Å; R329-E845 PolarHBondContact NH2-OE2 3.49Å
330	E	69.9	Low	44.3	Very low	13 Å²	13	85.2 Å²	85.2	6%	0.061	47%	0.471	C	S	.	.			trans	-81.2	148.4	172.1	-80.7	178.7	-162.2	0	0	111	T730 V731 R732 G741 R742 P842 C843	E330-T730 PolarHBondContact OE2-OG1 3.47Å; E330-V731 WeakPolarHBondContact CA-O 3.35Å; E330-R732 HydrophobicContact CG-CB 3.9Å; E330-R732 HydrophobicContact CG-CG 4.31Å; E330-R732 IonicContact OE1-CZ 3.74Å; E330-R732 IonicContact OE1-NH1 3.26Å; E330-R732 PolarHBondContact OE1-NH1 2.92Å; E330-G741 WeakPolarHBondContact OE1-CA 3.49Å; E330-R742 IonicContact OE2-NE 2.74Å; E330-P842 HydrophobicContact CB-CB 4.31Å; E330-P842 WeakPolarHBondContact CB-O 3.29Å; E330-P842 PolarHBondContact N-O 2.94Å; E330-P842 VanDerWaalsContact N-O 3.15Å; E330-C843 HydrophobicContact CB-CB 4.26Å
331	M	68.6	Low	44.3	Very low	32 Å²	32	83.2 Å²	83.2	16%	0.158	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	143.3	169.4	-60.1	178.9	58.8	0	0	110.5	T730 V731 V774 N775 C778	M331-T730 CarbonylContact O-C 3.5Å; M331-T730 WeakPolarHBondContact O-CA 3.44Å; M331-T730 WeakPolarHBondContact O-CB 3.34Å; M331-V731 PolarHBondContact N-O 2.94Å; M331-V731 PolarHBondContact O-N 3.48Å; M331-V774 HydrophobicContact CB-CG1 3.68Å; M331-V774 HydrophobicContact CG-CB 4.29Å; M331-V774 HydrophobicContact CG-CG1 3.81Å; M331-V774 HydrophobicContact SD-CB 3.78Å; M331-V774 HydrophobicContact SD-CG1 3.83Å; M331-N775 WeakPolarHBondContact CE-OD1 3.08Å; M331-N775 PolarHBondContact SD-OD1 3.48Å; M331-C778 HydrophobicContact CE-CB 4.43Å
332	A	72	Confident	44.3	Very low	12 Å²	12	87.7 Å²	87.7	10%	0.099	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	133.7	170.7	0	0	0	0	0	110.1	D334 C335 C778 C843 L846	A332-D334 PolarHBondContact O-N 3.3Å; A332-D334 VanDerWaalsContact O-N 3.14Å; A332-C335 HydrophobicContact CB-CB 4.48Å; A332-C778 PolarHBondContact O-SG 3.5Å; A332-C843 PolarHBondContact N-SG 3.23Å; A332-L846 HydrophobicContact CB-CD1 4.24Å; A332-L846 HydrophobicContact CB-CD2 4.31Å; A332-L846 HydrophobicContact CB-CG 4.05Å
333	V	54.9	Low	44.1	Very low	3 Å²	3	87 Å²	87	2%	0.018	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.6	-173.6	163.2	0	0	0	0	113.8	L727 A729 V731 C778 L781	V333-L727 HydrophobicContact CG1-CB 4.12Å; V333-L727 HydrophobicContact CG1-CD2 4.21Å; V333-A729 WeakPolarHBondContact CB-O 3.12Å; V333-A729 HydrophobicContact CG2-CB 4.27Å; V333-A729 WeakPolarHBondContact CG2-O 3.34Å; V333-A729 PolarHBondContact N-O 3.27Å; V333-V731 HydrophobicContact CG2-CB 4.45Å; V333-V731 HydrophobicContact CG2-CG1 3.88Å; V333-V731 HydrophobicContact CG2-CG2 3.87Å; V333-C778 WeakPolarHBondContact O-CA 3.28Å; V333-L781 HydrophobicContact CG1-CB 3.75Å; V333-L781 HydrophobicContact CG1-CD1 3.58Å; V333-L781 HydrophobicContact CG1-CD2 4.3Å; V333-L781 HydrophobicContact CG1-CG 4.05Å
334	D	53.4	Low	44.2	Very low	13 Å²	13	84.6 Å²	84.6	7%	0.07	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-151.6	43.9	-165.3	-76.5	-47.4	0	0	0	114.5	A332 P336 K722 P726 L727 L781 G782	A332-D334 PolarHBondContact O-N 3.3Å; A332-D334 VanDerWaalsContact O-N 3.14Å; D334-P336 WeakPolarHBondContact O-CD 3.45Å; D334-K722 VanDerWaalsContact CG-CE 3.45Å; D334-K722 IonicContact OD1-NZ 2.8Å; D334-K722 PolarHBondContact OD1-NZ 3.43Å; D334-K722 WeakPolarHBondContact OD2-CD 3.39Å; D334-K722 WeakPolarHBondContact OD2-CE 3.17Å; D334-K722 IonicContact OD2-NZ 2.81Å; D334-K722 PolarHBondContact OD2-NZ 2.96Å; D334-P726 HydrophobicContact CB-CB 3.74Å; D334-P726 WeakPolarHBondContact O-CB 3.36Å; D334-L727 WeakPolarHBondContact OD2-CB 3.36Å; D334-L727 PolarHBondContact OD2-N 2.98Å; D334-L727 VanDerWaalsContact OD2-N 3.15Å; D334-L781 VanDerWaalsContact OD1-O 3.12Å; D334-G782 VanDerWaalsContact OD1-CA 3.22Å; D334-G782 WeakPolarHBondContact OD1-CA 3.41Å; D334-G782 PolarHBondContact OD1-N 2.83Å
335	C	45.6	Very low	44.2	Very low	61 Å²	61	84.3 Å²	84.3	41%	0.412	45%	0.452	S	S	.	.			trans	-66.6	124.3	-173.5	-160.3	0	0	0	0	113.3	A332	A332-C335 HydrophobicContact CB-CB 4.48Å
336	P	40.7	Very low	43.7	Very low	46 Å²	46	81.7 Å²	81.7	30%	0.299	44%	0.443	S	S	.	.			trans	-88.3	151.8	179.6	34.4	-33.7	0	0	0	113.1	D334 T338 F339	D334-P336 WeakPolarHBondContact O-CD 3.45Å; P336-T338 PolarHBondContact O-N 2.9Å; P336-F339 HydrophobicContact CG-CB 4.2Å; P336-F339 WeakPolarHBondContact O-CB 3.49Å; P336-F339 PolarHBondContact O-N 2.93Å
337	D	39.2	Very low	43.6	Very low	156 Å²	156	84.5 Å²	84.5	83%	0.834	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-14.2	-179.5	-63.8	-40.3	0	0	0	115.4	I340	D337-I340 WeakPolarHBondContact O-CD1 3.49Å
338	T	37.7	Very low	43.3	Very low	128 Å²	128	90.9 Å²	90.9	79%	0.785	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-13.3	176	48.3	0	0	0	0	113.6	P336 I340	P336-T338 PolarHBondContact O-N 2.9Å; T338-I340 PolarHBondContact O-N 3.35Å
339	F	41.9	Very low	42.7	Very low	55 Å²	55	89.1 Å²	89.1	24%	0.241	46%	0.456	C	S	.	.			trans	-80.8	41.9	-179.5	-148.9	-91.6	0	0	0	112.3	P336 E845 Q877	P336-F339 HydrophobicContact CG-CB 4.2Å; P336-F339 WeakPolarHBondContact O-CB 3.49Å; P336-F339 PolarHBondContact O-N 2.93Å; F339-E845 VanDerWaalsContact CD1-O 3.25Å; F339-E845 WeakPolarHBondContact CD1-O 3.44Å; F339-E845 VanDerWaalsContact CE1-O 3.24Å; F339-E845 WeakPolarHBondContact CE1-O 3.32Å; F339-Q877 HydrophobicContact CE2-CG 4.11Å; F339-Q877 HydrophobicContact CZ-CG 4.49Å; F339-Q877 VanDerWaalsContact CZ-NE2 3.33Å
340	I	34.8	Very low	41.4	Very low	130 Å²	130	88.8 Å²	88.8	67%	0.667	47%	0.468	S	S	*	.			trans	-90	123.9	176.7	-62.7	172.5	0	0	0	108.6	D337 T338 R342	D337-I340 WeakPolarHBondContact O-CD1 3.49Å; T338-I340 PolarHBondContact O-N 3.35Å; I340-R342 PolarHBondContact O-N 3.29Å; I340-R342 VanDerWaalsContact O-N 3.09Å
341	A	35.7	Very low	39.5	Very low	43 Å²	43	93.8 Å²	93.8	36%	0.355	50%	0.502	S	S	.	.			trans	-53.7	116.2	174.9	0	0	0	0	0	111.1	N343	A341-N343 VanDerWaalsContact C-N 3.31Å; A341-N343 PolarHBondContact O-N 2.89Å
342	R	35.2	Very low	37.6	Very low	191 Å²	191	98 Å²	98	72%	0.721	53%	0.532	S	S	*	.			trans	-75.8	80.3	-178.8	-80.7	-177.7	166.4	169.6	-0.6	111.4	I340 K344	I340-R342 PolarHBondContact O-N 3.29Å; I340-R342 VanDerWaalsContact O-N 3.09Å; R342-K344 PolarHBondContact O-N 3.32Å
343	N	32.3	Very low	35.6	Very low	94 Å²	94	108.7 Å²	108.7	50%	0.503	57%	0.569	S	S	.	*			trans	-63.7	103.9	-179.1	-74.7	2	0	0	0	112.4	A341 T345	A341-N343 VanDerWaalsContact C-N 3.31Å; A341-N343 PolarHBondContact O-N 2.89Å; N343-T345 PolarHBondContact O-N 3.39Å
344	K	30.5	Very low	34.5	Very low	141 Å²	141	113.7 Å²	113.7	61%	0.613	60%	0.602	S	S	*	*			trans	-68.2	108.5	167	-70.6	173.1	-175.9	162.8	0	108.8	R342	R342-K344 PolarHBondContact O-N 3.32Å
345	T	29.3	Very low	33.5	Very low	133 Å²	133	119.2 Å²	119.2	82%	0.816	64%	0.638	S	S	*	*			trans	-68.5	134.5	179.9	44.4	0	0	0	0	111.8	N343	N343-T345 PolarHBondContact O-N 3.39Å
346	P	29.6	Very low	32.6	Very low	105 Å²	105	125.2 Å²	125.2	68%	0.682	66%	0.66	S	S	*	*			trans	-76.2	155.4	-175.1	29.9	-35.8	0	0	0	112.8	R348	P346-R348 PolarHBondContact O-N 2.92Å
347	P	28.5	Very low	32.1	Very low	105 Å²	105	131.3 Å²	131.3	68%	0.682	69%	0.69	S	S	*	*			trans	-65.3	106.2	175.9	26.7	-33.8	0	0	0	111.3	Y349	P347-Y349 WeakPolarHBondContact O-CD2 3.33Å; P347-Y349 PolarHBondContact O-N 3.36Å
348	R	28.4	Very low	31.6	Very low	213 Å²	213	131.6 Å²	131.6	80%	0.804	69%	0.691	S	S	*	*			trans	-63.7	114.1	-175.7	-178.7	-179.4	-84.3	-153.2	-7	112.9	P346	P346-R348 PolarHBondContact O-N 2.92Å
349	Y	29.7	Very low	31	Very low	88 Å²	88	128.8 Å²	128.8	35%	0.345	69%	0.687	S	S	.	*			trans	-110.3	147.5	165.4	-78.9	-105.7	0	0	0	111	P347	P347-Y349 WeakPolarHBondContact O-CD2 3.33Å; P347-Y349 PolarHBondContact O-N 3.36Å
350	P	32.1	Very low	30.3	Very low	102 Å²	102	134.2 Å²	134.2	66%	0.662	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-79.1	153.2	-177.7	31.4	-35.6	0	0	0	114
351	P	29.4	Very low	30.1	Very low	119 Å²	119	132.5 Å²	132.5	77%	0.773	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-80.6	158	177	33.2	-35.9	0	0	0	113.3
352	P	29.4	Very low	29.8	Very low	121 Å²	121	139.9 Å²	139.9	79%	0.786	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-75.4	153.3	178.2	31.7	-35.3	0	0	0	113.2
353	R	29.6	Very low	29.5	Very low	236 Å²	236	136.9 Å²	136.9	89%	0.891	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-93.4	133.3	179.8	-172.2	-171.8	-61.2	-106	0.9	111
354	P	31.8	Very low	29.4	Very low	107 Å²	107	138.8 Å²	138.8	70%	0.695	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-73.8	154.9	175.1	30.8	-35.3	0	0	0	112.5
355	P	31.8	Very low	29.4	Very low	129 Å²	129	137.4 Å²	137.4	84%	0.838	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-74.5	150.3	178	31.4	-35.4	0	0	0	112.6
356	Q	28.1	Very low	29.6	Very low	187 Å²	187	136.6 Å²	136.6	87%	0.874	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-89.3	141.7	172.5	-68.2	-179.4	-17.3	0	0	111.2
357	L	29.6	Very low	29.8	Very low	175 Å²	175	137.6 Å²	137.6	92%	0.916	78%	0.777	S	S	*	*			trans	-141.2	136.6	162.9	-94.6	170.9	0	0	0	109.4
358	N	27.4	Very low	29.9	Very low	162 Å²	162	144.3 Å²	144.3	87%	0.866	79%	0.789	S	S	*	*			trans	-70.7	144.2	177.8	-67.1	-8.5	0	0	0	110.5
359	G	26.6	Very low	30.1	Very low	68 Å²	68	141.2 Å²	141.2	70%	0.701	79%	0.788	S	S	*	*			trans	-106.1	170.5	176.5	0	0	0	0	0	113.2
360	N	27.7	Very low	30.2	Very low	170 Å²	170	146.1 Å²	146.1	91%	0.909	81%	0.814	S	S	*	*			trans	-163	154.4	145.4	-124.7	-26.3	0	0	0	114.1
361	A	29.9	Very low	30.2	Very low	94 Å²	94	149.7 Å²	149.7	78%	0.777	83%	0.827	S	S	*	*			trans	58.4	138.1	160.5	0	0	0	0	0	122
362	K	29.5	Very low	30.5	Very low	198 Å²	198	155.6 Å²	155.6	86%	0.861	83%	0.833	S	S	*	*			trans	-126.8	150.7	160.4	-71.9	-178.4	178.3	177.8	0	109.4
363	P	28.9	Very low	30.9	Very low	128 Å²	128	154.4 Å²	154.4	83%	0.831	82%	0.824	S	S	*	*			trans	-97.8	168.7	149.5	-10.2	29.5	0	0	0	112.6
364	V	29.9	Very low	31.5	Very low	133 Å²	133	151.4 Å²	151.4	81%	0.806	82%	0.82	S	S	*	*			trans	-125.3	143.4	-175.2	176.1	0	0	0	0	110.1
365	P	31	Very low	32	Very low	112 Å²	112	156.4 Å²	156.4	73%	0.727	83%	0.831	S	S	*	*			trans	-89.4	159.9	-179.1	35.5	-36.3	0	0	0	114.6
366	P	32.1	Very low	32.6	Very low	117 Å²	117	158 Å²	158	76%	0.76	83%	0.832	S	S	*	*			trans	-83.4	166.6	173.6	35.1	-35.7	0	0	0	113.7
367	P	34.9	Very low	33.5	Very low	126 Å²	126	152.2 Å²	152.2	82%	0.818	82%	0.823	S	S	*	*			trans	-82.5	175.2	-171.3	34.1	-37.8	0	0	0	115.2
368	R	29.9	Very low	33.8	Very low	246 Å²	246	153.7 Å²	153.7	93%	0.928	82%	0.816	S	S	*	*			trans	-123	131.2	173.1	-76.8	178.6	168.3	171	-4.6	111.1
369	D	32.8	Very low	34.4	Very low	148 Å²	148	152.7 Å²	152.7	79%	0.791	81%	0.81	S	S	*	*			trans	-122.4	146.5	156.7	-80.3	-53.3	0	0	0	108.2
370	H	32.2	Very low	34.8	Very low	190 Å²	190	154.6 Å²	154.6	88%	0.88	81%	0.808	S	S	*	*			trans	171.6	81.3	150.4	-84.6	-15.8	0	0	0	111.6
371	L	32.1	Very low	35.2	Very low	178 Å²	178	153.9 Å²	153.9	93%	0.932	80%	0.804	S	S	*	*			trans	-137	148.4	148.9	-79.1	179.5	0	0	0	107.8
372	R	34.8	Very low	35.2	Very low	242 Å²	242	154.2 Å²	154.2	91%	0.913	80%	0.799	S	S	*	*			trans	-138.8	142.4	-176.9	-137.1	178.8	-170.5	-173.6	2.5	110.1
373	V	38.5	Very low	35.3	Very low	97 Å²	97	150 Å²	150	59%	0.588	80%	0.795	S	S	*	*			trans	-110.7	134.1	-179	179.2	0	0	0	0	108.6	L379	V373-L379 HydrophobicContact CG2-CD2 4Å
374	E	42.1	Very low	35.4	Very low	172 Å²	172	149.9 Å²	149.9	80%	0.804	79%	0.794	S	S	*	*			trans	-96.1	163.4	170.9	-67.9	-153.3	138.3	0	0	112.2	D376 G377	E374-D376 VanDerWaalsContact C-N 3.28Å; E374-D376 PolarHBondContact O-N 3.18Å; E374-G377 PolarHBondContact O-N 2.87Å
375	K	42.8	Very low	35.5	Very low	213 Å²	213	147.9 Å²	147.9	93%	0.926	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-9.1	-143.3	-136.8	177.2	-177.2	-176.4	0	116.4
376	D	43.5	Very low	35.6	Very low	163 Å²	163	148.7 Å²	148.7	87%	0.872	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	19.3	179.1	-57.4	-25.4	0	0	0	112.6	E374 R378	E374-D376 VanDerWaalsContact C-N 3.28Å; E374-D376 PolarHBondContact O-N 3.18Å; D376-R378 VanDerWaalsContact C-N 3.32Å; D376-R378 PolarHBondContact O-N 3.23Å
377	G	47.4	Very low	35.5	Very low	65 Å²	65	152 Å²	152	67%	0.67	80%	0.802	S	S	*	*	S	Bend	trans	76.9	5.5	163.3	0	0	0	0	0	116.7	E374	E374-G377 PolarHBondContact O-N 2.87Å
378	R	36.3	Very low	35.4	Very low	205 Å²	205	154.3 Å²	154.3	77%	0.774	81%	0.807	S	S	*	*			trans	-101.3	111.2	-177.4	-159.7	175.4	-169.9	179.4	3.4	111.9	D376 V380	D376-R378 VanDerWaalsContact C-N 3.32Å; D376-R378 PolarHBondContact O-N 3.23Å; R378-V380 HydrophobicContact CG-CG2 4.48Å; R378-V380 WeakPolarHBondContact O-CG2 3.36Å
379	L	39.6	Very low	35.6	Very low	141 Å²	141	148.6 Å²	148.6	74%	0.738	80%	0.801	S	S	*	*			trans	-71.9	125.1	165.7	-76.8	164.7	0	0	0	109.2	V373	V373-L379 HydrophobicContact CG2-CD2 4Å
380	V	36.2	Very low	35.5	Very low	108 Å²	108	149.3 Å²	149.3	66%	0.655	81%	0.805	S	S	*	*			trans	-126.9	129.2	-178.2	-137.9	0	0	0	0	110.3	R378	R378-V380 HydrophobicContact CG-CG2 4.48Å; R378-V380 WeakPolarHBondContact O-CG2 3.36Å
381	N	35.6	Very low	35.4	Very low	155 Å²	155	151.2 Å²	151.2	83%	0.829	81%	0.805	S	S	*	*			trans	-103.8	104.4	177.5	-175.6	7.3	0	0	0	109.2
382	C	30	Very low	35.2	Very low	101 Å²	101	155 Å²	155	68%	0.682	81%	0.807	S	S	*	*			trans	-117.3	99.8	-169.4	-67.1	0	0	0	0	111.7
383	S	30.8	Very low	34.9	Very low	110 Å²	110	148 Å²	148	77%	0.769	80%	0.8	S	S	*	*			trans	-107.7	109.2	169.3	-67.2	0	0	0	0	110.3
384	P	32.3	Very low	34.9	Very low	125 Å²	125	149.9 Å²	149.9	81%	0.812	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-76.7	138.5	174.5	-13.8	30.1	0	0	0	111.8
385	A	31.5	Very low	34.2	Very low	92 Å²	92	145.4 Å²	145.4	76%	0.76	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-89.8	138.8	177.6	0	0	0	0	0	112.5
386	P	33	Very low	33.6	Very low	129 Å²	129	143.1 Å²	143.1	84%	0.838	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-83.3	141.5	170.8	33	-32.5	0	0	0	111.9
387	Q	30.6	Very low	32.8	Very low	185 Å²	185	139.5 Å²	139.5	86%	0.864	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-95.9	159.4	-177.7	-65.4	172.3	-18	0	0	112.5
388	L	31.8	Very low	31.9	Very low	176 Å²	176	141.6 Å²	141.6	92%	0.921	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-83.1	133.5	172.3	-69.9	169.8	0	0	0	111.3
389	P	34.5	Very low	31.5	Very low	125 Å²	125	137.5 Å²	137.5	81%	0.812	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-92.8	143.8	172.1	34.9	-32.2	0	0	0	112.6
390	D	30.4	Very low	30.9	Very low	164 Å²	164	134.1 Å²	134.1	88%	0.877	81%	0.811	S	S	*	*			trans	-108.4	163.5	179.1	-161.7	3	0	0	0	112.4
391	R	29.9	Very low	30.4	Very low	229 Å²	229	134.9 Å²	134.9	86%	0.864	82%	0.821	S	S	*	*			trans	-86	136	-172.3	-93	-179.3	162	-172.1	-3.7	113.9
392	R	27.4	Very low	30.1	Very low	259 Å²	259	133.1 Å²	133.1	98%	0.977	82%	0.821	S	S	*	*			trans	-153.7	172	144.4	-110.2	159	-159.4	-153.1	3	112.8
393	A	29.2	Very low	29.9	Very low	94 Å²	94	132.1 Å²	132.1	78%	0.777	83%	0.828	S	S	*	*			trans	-100.8	167.7	-152.9	0	0	0	0	0	115.4
394	P	39.2	Very low	29.8	Very low	137 Å²	137	130.8 Å²	130.8	89%	0.89	82%	0.824	S	S	*	*			trans	-102.6	162.9	-170.4	39.2	-35.2	0	0	0	116.3
395	G	27.4	Very low	29.5	Very low	77 Å²	77	131 Å²	131	79%	0.794	82%	0.823	S	S	*	*			trans	147.6	145.8	172.3	0	0	0	0	0	110.9
396	N	28.9	Very low	29.1	Very low	165 Å²	165	131.7 Å²	131.7	88%	0.882	82%	0.818	S	S	*	*			cis	-158.6	169.1	5.9	-170.3	16.4	0	0	0	111
397	A	27.2	Very low	28.8	Very low	87 Å²	87	133.8 Å²	133.8	72%	0.719	82%	0.816	S	S	*	*			trans	69.6	152.6	175	0	0	0	0	0	116.6
398	S	28.8	Very low	29.4	Very low	110 Å²	110	130 Å²	130	77%	0.769	81%	0.808	S	S	*	*			cis	-178.7	159.2	-11.6	45.7	0	0	0	0	109.2
399	S	27.7	Very low	29.1	Very low	119 Å²	119	128.1 Å²	128.1	83%	0.832	80%	0.798	S	S	*	*			cis	-177.1	147.8	-18.1	52.8	0	0	0	0	110.8
400	G	26.1	Very low	28.8	Very low	69 Å²	69	131.1 Å²	131.1	71%	0.711	80%	0.801	S	S	*	*			trans	109.1	125.4	174.8	0	0	0	0	0	113.3
401	S	26.8	Very low	28.8	Very low	124 Å²	124	129.8 Å²	129.8	87%	0.867	79%	0.789	S	S	*	*				79.8	133.2	53.1	76.5	0	0	0	0	113.2
402	S	27.6	Very low	28.9	Very low	119 Å²	119	125.6 Å²	125.6	83%	0.832	78%	0.78	S	S	*	*			cis	-164.3	150.9	22.3	53.4	0	0	0	0	115.7
403	G	26.7	Very low	29.1	Very low	80 Å²	80	120.3 Å²	120.3	83%	0.825	77%	0.766	S	S	*	*			trans	85.1	160.9	150.3	0	0	0	0	0	118.9
404	A	28	Very low	29.6	Very low	82 Å²	82	122.8 Å²	122.8	68%	0.678	76%	0.764	S	S	*	*			cis	-169.9	148	-16.3	0	0	0	0	0	111.8
405	T	25.8	Very low	29.5	Very low	129 Å²	129	120.3 Å²	120.3	79%	0.791	76%	0.755	S	S	*	*			trans	55.7	147.5	148.2	53.4	0	0	0	0	121.4
406	T	24.7	Very low	29.8	Very low	107 Å²	107	125.1 Å²	125.1	66%	0.656	76%	0.757	S	S	*	*			cis	-171.1	133.6	-10.2	27.3	0	0	0	0	111
407	H	25.6	Very low	30.9	Very low	172 Å²	172	125.4 Å²	125.4	80%	0.796	76%	0.757	S	S	*	*			trans	46.3	178	139.4	-63.5	-66.5	0	0	0	122.2
408	P	42.7	Very low	31.9	Very low	107 Å²	107	127 Å²	127	70%	0.695	76%	0.757	S	S	*	*			cis	-132.4	155.6	-8.5	20	5.5	0	0	0	118.8
409	L	25.7	Very low	33	Very low	135 Å²	135	129.8 Å²	129.8	71%	0.707	76%	0.759	S	S	*	*			trans	43.8	122.3	131.3	-55.5	167.8	0	0	0	124.9
410	Q	29.5	Very low	34.1	Very low	188 Å²	188	127.5 Å²	127.5	88%	0.879	74%	0.741	S	S	*	*				-166.1	124	114.1	-101.8	173.9	-4.7	0	0	107.4
411	H	30.9	Very low	36.1	Very low	136 Å²	136	127.9 Å²	127.9	63%	0.63	73%	0.73	S	S	*	*				64.2	130.1	52.5	-74.9	44.5	0	0	0	113.7
412	Q	31.4	Very low	37.8	Very low	142 Å²	142	129.3 Å²	129.3	66%	0.664	73%	0.726	S	S	*	*			cis	-161.9	-172.3	-3.2	-118	-179.6	20.9	0	0	107.9
413	Q	31.6	Very low	39.3	Very low	147 Å²	147	131.3 Å²	131.3	69%	0.687	72%	0.723	S	S	*	*			cis	-158.4	161.2	12.6	-144.7	177.5	81	0	0	113.6
414	I	38.7	Very low	40.5	Very low	146 Å²	146	132.2 Å²	132.2	75%	0.749	71%	0.706	S	S	*	*			trans	0.4	133.9	151.9	-62.3	163.9	0	0	0	120.9
415	A	37.3	Very low	42.2	Very low	85 Å²	85	132.4 Å²	132.4	70%	0.702	70%	0.695	S	S	*	*				175.2	157	110.4	0	0	0	0	0	117.4
416	Q	33.6	Very low	44.1	Very low	178 Å²	178	130 Å²	130	83%	0.832	68%	0.677	S	S	*	*			trans	76.6	116.7	159.1	-57	-164	-12.7	0	0	122.1
417	I	52.1	Low	45.9	Very low	171 Å²	171	128 Å²	128	88%	0.877	67%	0.667	S	S	*	*			trans	-84.7	134	153	-63.1	168.3	0	0	0	107.1
418	V	49.2	Very low	48.4	Very low	120 Å²	120	123.8 Å²	123.8	73%	0.727	65%	0.65	S	S	*	*			trans	-106.4	123.1	177.6	177.7	0	0	0	0	109.3
419	E	50.5	Low	50	Low	170 Å²	170	125.7 Å²	125.7	79%	0.794	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-67.2	145.7	172	-76	-166.9	116.6	0	0	111.4	T421	E419-T421 PolarHBondContact O-N 2.85Å
420	P	51.3	Low	52.2	Low	71 Å²	71	125 Å²	125	46%	0.461	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-64	133.1	179.3	27.4	-34.6	0	0	0	111	Q424 L425	P420-Q424 HydrophobicContact CB-CB 4.36Å; P420-L425 HydrophobicContact CG-CD2 4.45Å; P420-L425 HydrophobicContact CG-CG 4.48Å
421	T	68.5	Low	54	Low	77 Å²	77	123.1 Å²	123.1	47%	0.472	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-64.3	155.9	-177.6	51	0	0	0	0	112.5	E419 E423 Q424 L425	E419-T421 PolarHBondContact O-N 2.85Å; T421-E423 PolarHBondContact O-N 2.81Å; T421-E423 VanDerWaalsContact O-N 3.12Å; T421-Q424 WeakPolarHBondContact O-CA 3.46Å; T421-Q424 WeakPolarHBondContact O-CB 3.19Å; T421-Q424 PolarHBondContact O-N 3.3Å; T421-Q424 WeakPolarHBondContact OG1-CG 3.46Å; T421-Q424 PolarHBondContact OG1-OE1 3.11Å; T421-L425 PolarHBondContact O-N 2.87Å
422	L	63.3	Low	55.7	Low	153 Å²	153	122.3 Å²	122.3	80%	0.801	62%	0.621	S	S	*	*	H	α-helix	trans	-54.2	-33.2	-179.8	-108.5	138.1	0	0	0	113.4	L425 D426	L422-L425 PolarHBondContact O-N 3.23Å; L422-D426 WeakPolarHBondContact O-CB 3.45Å; L422-D426 PolarHBondContact O-N 2.81Å
423	E	58.5	Low	57.7	Low	162 Å²	162	118.6 Å²	118.6	76%	0.757	60%	0.603	S	S	*	*	H	α-helix	trans	-72	-32.3	174.9	-59.6	-170.6	144.6	0	0	113	T421 S427	T421-E423 PolarHBondContact O-N 2.81Å; T421-E423 VanDerWaalsContact O-N 3.12Å; E423-S427 VanDerWaalsContact O-CB 3.32Å; E423-S427 WeakPolarHBondContact O-CB 3.49Å; E423-S427 PolarHBondContact O-N 3.17Å; E423-S427 PolarHBondContact O-OG 3.3Å
424	Q	51.2	Low	59.4	Low	99 Å²	99	118 Å²	118	46%	0.463	60%	0.601	S	S	.	*	H	α-helix	trans	-68.5	-39.7	171.4	-68.5	172.9	-63.3	0	0	110.7	P420 T421 S427 I428	P420-Q424 HydrophobicContact CB-CB 4.36Å; T421-Q424 WeakPolarHBondContact O-CA 3.46Å; T421-Q424 WeakPolarHBondContact O-CB 3.19Å; T421-Q424 PolarHBondContact O-N 3.3Å; T421-Q424 WeakPolarHBondContact OG1-CG 3.46Å; T421-Q424 PolarHBondContact OG1-OE1 3.11Å; Q424-S427 WeakPolarHBondContact CA-OG 3.44Å; Q424-S427 PolarHBondContact O-OG 3.48Å; Q424-S427 VanDerWaalsContact O-OG 3.08Å; Q424-I428 WeakPolarHBondContact O-CB 3.43Å; Q424-I428 WeakPolarHBondContact O-CD1 3.42Å; Q424-I428 WeakPolarHBondContact O-CG1 3.33Å; Q424-I428 PolarHBondContact O-N 3.17Å
425	L	64.8	Low	60.8	Low	86 Å²	86	115.2 Å²	115.2	45%	0.45	59%	0.587	S	S	.	*	H	α-helix	trans	-67.2	-41	175.8	-72.8	165.5	0	0	0	112.7	P420 T421 L422 K429	P420-L425 HydrophobicContact CG-CD2 4.45Å; P420-L425 HydrophobicContact CG-CG 4.48Å; T421-L425 PolarHBondContact O-N 2.87Å; L422-L425 PolarHBondContact O-N 3.23Å; L425-K429 WeakPolarHBondContact O-CG 3.4Å; L425-K429 PolarHBondContact O-N 3.26Å
426	D	65.5	Low	62.9	Low	78 Å²	78	116.7 Å²	116.7	42%	0.417	57%	0.574	S	S	.	*	H	α-helix	trans	-71.3	-36.8	176.6	175.6	63.4	0	0	0	112.8	L422 K429 K430	L422-D426 WeakPolarHBondContact O-CB 3.45Å; L422-D426 PolarHBondContact O-N 2.81Å; D426-K429 PolarHBondContact O-N 3.46Å; D426-K430 WeakPolarHBondContact O-CG 3.38Å; D426-K430 PolarHBondContact O-N 2.88Å; D426-K430 IonicContact OD1-NZ 2.71Å; D426-K430 PolarHBondContact OD1-NZ 3.15Å; D426-K430 IonicContact OD2-NZ 2.78Å; D426-K430 PolarHBondContact OD2-NZ 2.95Å
427	S	62.9	Low	64.8	Low	64 Å²	64	116 Å²	116	45%	0.448	56%	0.564	S	S	.	*	H	α-helix	trans	-68.2	-37.2	173.3	53.4	0	0	0	0	112.7	E423 Q424 K430 Y431	E423-S427 VanDerWaalsContact O-CB 3.32Å; E423-S427 WeakPolarHBondContact O-CB 3.49Å; E423-S427 PolarHBondContact O-N 3.17Å; E423-S427 PolarHBondContact O-OG 3.3Å; Q424-S427 WeakPolarHBondContact CA-OG 3.44Å; Q424-S427 PolarHBondContact O-OG 3.48Å; Q424-S427 VanDerWaalsContact O-OG 3.08Å; S427-K430 PolarHBondContact O-N 3.36Å; S427-Y431 WeakPolarHBondContact O-CB 3.39Å; S427-Y431 PolarHBondContact O-N 3.22Å
428	I	77.4	Confident	65.8	Low	85 Å²	85	115.8 Å²	115.8	44%	0.436	55%	0.552	S	S	.	*	H	α-helix	trans	-60.7	-45.9	169.7	-72.1	165.1	0	0	0	110.8	Q424 Y431 Q432	Q424-I428 WeakPolarHBondContact O-CB 3.43Å; Q424-I428 WeakPolarHBondContact O-CD1 3.42Å; Q424-I428 WeakPolarHBondContact O-CG1 3.33Å; Q424-I428 PolarHBondContact O-N 3.17Å; I428-Y431 PolarHBondContact O-N 2.85Å; I428-Q432 WeakPolarHBondContact O-CG 3.35Å; I428-Q432 PolarHBondContact O-N 2.69Å
429	K	76.9	Confident	67.1	Low	147 Å²	147	118.6 Å²	118.6	64%	0.639	55%	0.549	S	S	*	.	H	α-helix	trans	-60.2	-45.5	175.3	-80.6	-176	174.4	-178.6	0	112.6	L425 D426 Y431 Q432 E433	L425-K429 WeakPolarHBondContact O-CG 3.4Å; L425-K429 PolarHBondContact O-N 3.26Å; D426-K429 PolarHBondContact O-N 3.46Å; K429-Y431 VanDerWaalsContact C-N 3.3Å; K429-Y431 PolarHBondContact O-N 2.8Å; K429-Q432 PolarHBondContact O-N 2.94Å; K429-E433 WeakPolarHBondContact O-CB 3.31Å; K429-E433 PolarHBondContact O-N 3.34Å
430	K	70.5	Confident	68.4	Low	120 Å²	120	114.7 Å²	114.7	52%	0.522	53%	0.531	S	S	.	.	H	α-helix	trans	-61.3	-37	176.9	-77.5	-177.6	171.5	72.8	0	112.4	D426 S427 Q434	D426-K430 WeakPolarHBondContact O-CG 3.38Å; D426-K430 PolarHBondContact O-N 2.88Å; D426-K430 IonicContact OD1-NZ 2.71Å; D426-K430 PolarHBondContact OD1-NZ 3.15Å; D426-K430 IonicContact OD2-NZ 2.78Å; D426-K430 PolarHBondContact OD2-NZ 2.95Å; S427-K430 PolarHBondContact O-N 3.36Å; K430-Q434 PolarHBondContact O-N 2.6Å
431	Y	68.3	Low	69	Low	149 Å²	149	117.7 Å²	117.7	58%	0.584	54%	0.539	S	S	*	.	H	α-helix	trans	-69.7	-41.8	176	-174.9	-112.2	0	0	0	112.5	S427 I428 K429 Q434 L435	S427-Y431 WeakPolarHBondContact O-CB 3.39Å; S427-Y431 PolarHBondContact O-N 3.22Å; I428-Y431 PolarHBondContact O-N 2.85Å; K429-Y431 VanDerWaalsContact C-N 3.3Å; K429-Y431 PolarHBondContact O-N 2.8Å; Y431-Q434 PolarHBondContact O-N 3.06Å; Y431-L435 HydrophobicContact CD1-CD1 4.02Å; Y431-L435 HydrophobicContact CE1-CD1 3.61Å; Y431-L435 PolarHBondContact O-N 3.13Å
432	Q	65.4	Low	68.9	Low	118 Å²	118	120 Å²	120	55%	0.551	55%	0.545	S	S	*	.	H	α-helix	trans	-63.1	-40.9	174	-71.7	173.3	-10.9	0	0	112.1	I428 K429 L435 R436	I428-Q432 WeakPolarHBondContact O-CG 3.35Å; I428-Q432 PolarHBondContact O-N 2.69Å; K429-Q432 PolarHBondContact O-N 2.94Å; Q432-L435 PolarHBondContact O-N 2.83Å; Q432-R436 PolarHBondContact O-N 2.74Å
433	E	73.3	Confident	69.5	Low	64 Å²	64	118 Å²	118	30%	0.299	53%	0.531	S	S	.	.	H	α-helix	trans	-66.6	-35	175.2	177.3	62.9	-171.1	0	0	112.3	K429 R436 R437	K429-E433 WeakPolarHBondContact O-CB 3.31Å; K429-E433 PolarHBondContact O-N 3.34Å; E433-R436 VanDerWaalsContact CD-NH2 3.27Å; E433-R436 PolarHBondContact O-N 3.45Å; E433-R436 IonicContact OE1-CZ 3.86Å; E433-R436 IonicContact OE1-NE 2.81Å; E433-R436 IonicContact OE1-NH2 2.71Å; E433-R436 PolarHBondContact OE1-NH2 2.94Å; E433-R436 IonicContact OE2-CZ 3.57Å; E433-R436 VanDerWaalsContact OE2-CZ 3.31Å; E433-R436 IonicContact OE2-NE 3.91Å; E433-R436 PolarHBondContact OE2-NE 3.39Å; E433-R436 IonicContact OE2-NH2 3.61Å; E433-R436 PolarHBondContact OE2-NH2 3.39Å; E433-R437 WeakPolarHBondContact O-CG 3.28Å; E433-R437 PolarHBondContact O-N 3.27Å; E433-R437 IonicContact OE1-CZ 3.15Å; E433-R437 IonicContact OE1-NE 2.76Å; E433-R437 PolarHBondContact OE1-NE 2.78Å; E433-R437 VanDerWaalsContact OE1-NE 3.1Å; E433-R437 IonicContact OE1-NH2 2.68Å
434	Q	67.7	Low	70.3	Confident	136 Å²	136	117.7 Å²	117.7	64%	0.636	52%	0.523	S	S	*	.	H	α-helix	trans	-65.1	-41.6	170.7	-85.4	-171.4	-32.5	0	0	112.7	K430 Y431 R436 R437 R438	K430-Q434 PolarHBondContact O-N 2.6Å; Y431-Q434 PolarHBondContact O-N 3.06Å; Q434-R436 VanDerWaalsContact C-N 3.33Å; Q434-R437 PolarHBondContact O-N 3.34Å; Q434-R438 PolarHBondContact O-N 2.94Å
435	L	69.6	Low	71.5	Confident	86 Å²	86	117.4 Å²	117.4	45%	0.45	52%	0.524	S	S	.	.	H	α-helix	trans	-64	-38.1	174.9	-79.2	166	0	0	0	112	Y431 Q432 R439	Y431-L435 HydrophobicContact CD1-CD1 4.02Å; Y431-L435 HydrophobicContact CE1-CD1 3.61Å; Y431-L435 PolarHBondContact O-N 3.13Å; Q432-L435 PolarHBondContact O-N 2.83Å; L435-R439 PolarHBondContact O-N 3.16Å
436	R	80.1	Confident	71.8	Confident	117 Å²	117	116 Å²	116	44%	0.442	52%	0.524	S	S	.	.	H	α-helix	trans	-61.8	-52.8	174.5	-173.1	176.8	72.9	90	-3	111.4	Q432 E433 Q434 R438 R439 E440	Q432-R436 PolarHBondContact O-N 2.74Å; E433-R436 VanDerWaalsContact CD-NH2 3.27Å; E433-R436 PolarHBondContact O-N 3.45Å; E433-R436 IonicContact OE1-CZ 3.86Å; E433-R436 IonicContact OE1-NE 2.81Å; E433-R436 IonicContact OE1-NH2 2.71Å; E433-R436 PolarHBondContact OE1-NH2 2.94Å; E433-R436 IonicContact OE2-CZ 3.57Å; E433-R436 VanDerWaalsContact OE2-CZ 3.31Å; E433-R436 IonicContact OE2-NE 3.91Å; E433-R436 PolarHBondContact OE2-NE 3.39Å; E433-R436 IonicContact OE2-NH2 3.61Å; E433-R436 PolarHBondContact OE2-NH2 3.39Å; Q434-R436 VanDerWaalsContact C-N 3.33Å; R436-R438 PolarHBondContact O-N 2.73Å; R436-R439 WeakPolarHBondContact O-CB 3.4Å; R436-R439 PolarHBondContact O-N 2.85Å; R436-E440 VanDerWaalsContact CG-OE1 3.25Å; R436-E440 WeakPolarHBondContact CG-OE1 3.36Å; R436-E440 IonicContact CZ-OE1 3.71Å; R436-E440 IonicContact CZ-OE2 3.48Å; R436-E440 IonicContact NE-OE1 2.74Å; R436-E440 IonicContact NH1-OE1 3.28Å; R436-E440 PolarHBondContact NH1-OE1 3.44Å; R436-E440 IonicContact NH1-OE2 2.69Å; R436-E440 PolarHBondContact NH1-OE2 3.19Å; R436-E440 WeakPolarHBondContact O-CG 3.48Å; R436-E440 PolarHBondContact O-N 2.93Å
437	R	74.9	Confident	72.3	Confident	162 Å²	162	117.5 Å²	117.5	61%	0.611	53%	0.529	S	S	*	.	H	α-helix	trans	-60.5	-41.2	179.8	-73	179.8	-179.9	-141.8	-2.4	113.4	E433 Q434 R439 E440 E441	E433-R437 WeakPolarHBondContact O-CG 3.28Å; E433-R437 PolarHBondContact O-N 3.27Å; E433-R437 IonicContact OE1-CZ 3.15Å; E433-R437 IonicContact OE1-NE 2.76Å; E433-R437 PolarHBondContact OE1-NE 2.78Å; E433-R437 VanDerWaalsContact OE1-NE 3.1Å; E433-R437 IonicContact OE1-NH2 2.68Å; Q434-R437 PolarHBondContact O-N 3.34Å; R437-R439 VanDerWaalsContact C-N 3.32Å; R437-R439 PolarHBondContact O-N 3.05Å; R437-E440 PolarHBondContact O-N 2.88Å; R437-E441 WeakPolarHBondContact O-CB 3.43Å; R437-E441 PolarHBondContact O-N 3.3Å
438	R	71.1	Confident	72.1	Confident	168 Å²	168	119.3 Å²	119.3	63%	0.634	53%	0.53	S	S	*	.	H	α-helix	trans	-62.2	-39.5	177.1	-179.8	176.6	-81.7	172.5	-9.4	111.7	Q434 R436 E441 E442	Q434-R438 PolarHBondContact O-N 2.94Å; R436-R438 PolarHBondContact O-N 2.73Å; R438-E441 PolarHBondContact O-N 3.15Å; R438-E442 WeakPolarHBondContact O-CG 3.37Å; R438-E442 PolarHBondContact O-N 2.6Å
439	R	76.6	Confident	71.2	Confident	178 Å²	178	119.6 Å²	119.6	67%	0.672	53%	0.533	S	S	*	.	H	α-helix	trans	-65.3	-45	175.1	-174.5	-174	-62.6	177.8	-0.2	111.9	L435 R436 R437 E441 E442 E443	L435-R439 PolarHBondContact O-N 3.16Å; R436-R439 WeakPolarHBondContact O-CB 3.4Å; R436-R439 PolarHBondContact O-N 2.85Å; R437-R439 VanDerWaalsContact C-N 3.32Å; R437-R439 PolarHBondContact O-N 3.05Å; R439-E441 VanDerWaalsContact C-N 3.26Å; R439-E441 PolarHBondContact O-N 3.29Å; R439-E442 PolarHBondContact O-N 3.48Å; R439-E443 WeakPolarHBondContact O-CB 3.37Å; R439-E443 PolarHBondContact O-N 2.89Å
440	E	78.4	Confident	70.6	Confident	89 Å²	89	118.1 Å²	118.1	42%	0.416	53%	0.528	S	S	.	.	H	α-helix	trans	-61.9	-34.8	177.7	-70.7	166.7	-179.8	0	0	111.7	R436 R437 R444	R436-E440 VanDerWaalsContact CG-OE1 3.25Å; R436-E440 WeakPolarHBondContact CG-OE1 3.36Å; R436-E440 IonicContact CZ-OE1 3.71Å; R436-E440 IonicContact CZ-OE2 3.48Å; R436-E440 IonicContact NE-OE1 2.74Å; R436-E440 IonicContact NH1-OE1 3.28Å; R436-E440 PolarHBondContact NH1-OE1 3.44Å; R436-E440 IonicContact NH1-OE2 2.69Å; R436-E440 PolarHBondContact NH1-OE2 3.19Å; R436-E440 WeakPolarHBondContact O-CG 3.48Å; R436-E440 PolarHBondContact O-N 2.93Å; R437-E440 PolarHBondContact O-N 2.88Å; E440-R444 WeakPolarHBondContact O-CB 3.41Å; E440-R444 PolarHBondContact O-N 3.36Å; E440-R444 VanDerWaalsContact O-N 3.08Å
441	E	64.8	Low	70.1	Confident	133 Å²	133	119.6 Å²	119.6	62%	0.621	54%	0.535	S	S	*	.	H	α-helix	trans	-71.9	-45.2	175.2	-171.9	166.1	-133.5	0	0	112.6	R437 R438 R439 E443 R444 I445	R437-E441 WeakPolarHBondContact O-CB 3.43Å; R437-E441 PolarHBondContact O-N 3.3Å; R438-E441 PolarHBondContact O-N 3.15Å; R439-E441 VanDerWaalsContact C-N 3.26Å; R439-E441 PolarHBondContact O-N 3.29Å; E441-E443 PolarHBondContact O-N 2.87Å; E441-R444 PolarHBondContact O-N 2.95Å; E441-I445 HydrophobicContact CG-CD1 4.37Å; E441-I445 WeakPolarHBondContact O-CG1 3.4Å; E441-I445 PolarHBondContact O-N 3.46Å
442	E	65.3	Low	69.2	Low	127 Å²	127	117 Å²	117	59%	0.593	53%	0.531	S	S	*	.	H	α-helix	trans	-59.9	-43	172.6	-76	178.6	140.7	0	0	111.9	R438 R439 R444 I445 A446	R438-E442 WeakPolarHBondContact O-CG 3.37Å; R438-E442 PolarHBondContact O-N 2.6Å; R439-E442 PolarHBondContact O-N 3.48Å; E442-R444 PolarHBondContact O-N 3.42Å; E442-I445 PolarHBondContact O-N 2.95Å; E442-A446 WeakPolarHBondContact O-CB 3.47Å; E442-A446 PolarHBondContact O-N 3.38Å
443	E	76.3	Confident	68.4	Low	110 Å²	110	120.9 Å²	120.9	51%	0.514	54%	0.54	S	S	.	.	H	α-helix	trans	-63.7	-40.2	177.3	-168.7	177.3	164.7	0	0	111.5	R439 E441 I445 A446 Q447	R439-E443 WeakPolarHBondContact O-CB 3.37Å; R439-E443 PolarHBondContact O-N 2.89Å; E441-E443 PolarHBondContact O-N 2.87Å; E443-I445 VanDerWaalsContact C-N 3.32Å; E443-I445 PolarHBondContact O-N 3.22Å; E443-A446 PolarHBondContact O-N 2.92Å; E443-Q447 WeakPolarHBondContact O-CG 3.28Å; E443-Q447 PolarHBondContact O-N 2.81Å; E443-Q447 PolarHBondContact OE1-NE2 2.99Å
444	R	75.6	Confident	67.3	Low	155 Å²	155	123 Å²	123	59%	0.585	55%	0.554	S	S	*	*	H	α-helix	trans	-64.7	-35.3	175.5	-146.5	-145.8	95.7	133.4	5.9	112.8	E440 E441 E442 Q448	E440-R444 WeakPolarHBondContact O-CB 3.41Å; E440-R444 PolarHBondContact O-N 3.36Å; E440-R444 VanDerWaalsContact O-N 3.08Å; E441-R444 PolarHBondContact O-N 2.95Å; E442-R444 PolarHBondContact O-N 3.42Å; R444-Q448 WeakPolarHBondContact O-CB 3.36Å; R444-Q448 PolarHBondContact O-N 2.84Å
445	I	77	Confident	66.6	Low	93 Å²	93	120.8 Å²	120.8	48%	0.477	55%	0.553	S	S	.	*	H	α-helix	trans	-72.5	-37.2	175.8	-67.8	165.3	0	0	0	110.5	E441 E442 E443 Q448 N449	E441-I445 HydrophobicContact CG-CD1 4.37Å; E441-I445 WeakPolarHBondContact O-CG1 3.4Å; E441-I445 PolarHBondContact O-N 3.46Å; E442-I445 PolarHBondContact O-N 2.95Å; E443-I445 VanDerWaalsContact C-N 3.32Å; E443-I445 PolarHBondContact O-N 3.22Å; I445-Q448 PolarHBondContact O-N 3.44Å; I445-N449 PolarHBondContact O-N 3.3Å; I445-N449 PolarHBondContact O-ND2 3.25Å
446	A	70.2	Confident	65.3	Low	56 Å²	56	124.1 Å²	124.1	46%	0.463	57%	0.571	S	S	.	*	H	α-helix	trans	-62.9	-50.2	174	0	0	0	0	0	111.5	E442 E443 Q448 N449 E450	E442-A446 WeakPolarHBondContact O-CB 3.47Å; E442-A446 PolarHBondContact O-N 3.38Å; E443-A446 PolarHBondContact O-N 2.92Å; A446-Q448 VanDerWaalsContact C-N 3.29Å; A446-Q448 PolarHBondContact O-N 3.23Å; A446-N449 PolarHBondContact O-N 3.37Å; A446-N449 VanDerWaalsContact O-N 3.16Å; A446-E450 PolarHBondContact O-N 2.87Å
447	Q	75.1	Confident	63.6	Low	111 Å²	111	129.1 Å²	129.1	52%	0.519	59%	0.589	S	S	.	*	H	α-helix	trans	-57.6	-40	176.8	-70.5	174.3	13.8	0	0	112.2	E443 E450 F451	E443-Q447 WeakPolarHBondContact O-CG 3.28Å; E443-Q447 PolarHBondContact O-N 2.81Å; E443-Q447 PolarHBondContact OE1-NE2 2.99Å; Q447-E450 PolarHBondContact O-N 3.2Å; Q447-F451 WeakPolarHBondContact O-CB 3.17Å; Q447-F451 PolarHBondContact O-N 3.32Å
448	Q	58.9	Low	62.3	Low	101 Å²	101	124.2 Å²	124.2	47%	0.472	59%	0.589	S	S	.	*	H	α-helix	trans	-70.2	-36.9	177.7	-170.9	166.8	-6.8	0	0	112.9	R444 I445 A446 L452	R444-Q448 WeakPolarHBondContact O-CB 3.36Å; R444-Q448 PolarHBondContact O-N 2.84Å; I445-Q448 PolarHBondContact O-N 3.44Å; A446-Q448 VanDerWaalsContact C-N 3.29Å; A446-Q448 PolarHBondContact O-N 3.23Å; Q448-L452 WeakPolarHBondContact O-CG 3.26Å; Q448-L452 PolarHBondContact O-N 3.08Å; Q448-L452 VanDerWaalsContact O-N 3.13Å
449	N	58.3	Low	61.2	Low	91 Å²	91	120 Å²	120	49%	0.487	59%	0.585	S	S	.	*	H	α-helix	trans	-70.1	-33.8	173.1	-82.3	-68	0	0	0	112.8	I445 A446 L452 R453	I445-N449 PolarHBondContact O-N 3.3Å; I445-N449 PolarHBondContact O-ND2 3.25Å; A446-N449 PolarHBondContact O-N 3.37Å; A446-N449 VanDerWaalsContact O-N 3.16Å; N449-L452 PolarHBondContact O-N 2.82Å; N449-R453 WeakPolarHBondContact O-CB 3.47Å; N449-R453 WeakPolarHBondContact O-CG 3.39Å; N449-R453 PolarHBondContact O-N 3.07Å
450	E	64.6	Low	59.8	Low	116 Å²	116	122.6 Å²	122.6	54%	0.542	60%	0.595	S	S	.	*	H	α-helix	trans	-68.5	-41.9	174.2	-172.2	172.6	174.9	0	0	111.6	A446 Q447 L452 R453 N454	A446-E450 PolarHBondContact O-N 2.87Å; Q447-E450 PolarHBondContact O-N 3.2Å; E450-L452 VanDerWaalsContact C-N 3.35Å; E450-L452 PolarHBondContact O-N 3.28Å; E450-R453 PolarHBondContact O-N 2.93Å; E450-N454 WeakPolarHBondContact O-CB 3.19Å; E450-N454 PolarHBondContact O-N 2.9Å
451	F	60.8	Low	58.3	Low	152 Å²	152	127 Å²	127	67%	0.667	61%	0.613	S	S	*	*	H	α-helix	trans	-57	-46.1	172.4	-178.3	-98.1	0	0	0	112	Q447 N454 S455	Q447-F451 WeakPolarHBondContact O-CB 3.17Å; Q447-F451 PolarHBondContact O-N 3.32Å; F451-N454 PolarHBondContact O-N 2.92Å; F451-S455 WeakPolarHBondContact O-CB 3.32Å; F451-S455 PolarHBondContact O-N 3.42Å
452	L	50.3	Low	57.3	Low	94 Å²	94	126.7 Å²	126.7	49%	0.492	62%	0.615	S	S	.	*	H	α-helix	trans	-61.8	-43.3	174.9	-72.3	166.7	0	0	0	112.3	Q448 N449 E450 S455 L456	Q448-L452 WeakPolarHBondContact O-CG 3.26Å; Q448-L452 PolarHBondContact O-N 3.08Å; Q448-L452 VanDerWaalsContact O-N 3.13Å; N449-L452 PolarHBondContact O-N 2.82Å; E450-L452 VanDerWaalsContact C-N 3.35Å; E450-L452 PolarHBondContact O-N 3.28Å; L452-S455 PolarHBondContact O-N 2.79Å; L452-L456 PolarHBondContact O-N 2.82Å
453	R	47.2	Very low	56.1	Low	199 Å²	199	127.8 Å²	127.8	75%	0.751	62%	0.618	S	S	*	*	H	α-helix	trans	-64.2	-39.7	177.2	-83.3	179.4	159.7	-172.7	-4.9	113.4	N449 E450	N449-R453 WeakPolarHBondContact O-CB 3.47Å; N449-R453 WeakPolarHBondContact O-CG 3.39Å; N449-R453 PolarHBondContact O-N 3.07Å; E450-R453 PolarHBondContact O-N 2.93Å
454	N	49.9	Very low	54.5	Low	110 Å²	110	126.1 Å²	126.1	59%	0.588	62%	0.623	S	S	*	*	H	α-helix	trans	-73.3	-36.4	179.7	-74.8	-20.9	0	0	0	111.8	E450 F451 R457	E450-N454 WeakPolarHBondContact O-CB 3.19Å; E450-N454 PolarHBondContact O-N 2.9Å; F451-N454 PolarHBondContact O-N 2.92Å; N454-R457 PolarHBondContact O-N 2.83Å
455	S	53.4	Low	52.8	Low	88 Å²	88	125.7 Å²	125.7	62%	0.615	63%	0.631	S	S	*	*	H	α-helix	trans	-62.6	-43.8	176.1	-165	0	0	0	0	112.5	F451 L452 R457	F451-S455 WeakPolarHBondContact O-CB 3.32Å; F451-S455 PolarHBondContact O-N 3.42Å; L452-S455 PolarHBondContact O-N 2.79Å; S455-R457 VanDerWaalsContact C-N 3.26Å; S455-R457 PolarHBondContact O-N 2.69Å
456	L	42.6	Very low	51.1	Low	157 Å²	157	128.9 Å²	128.9	82%	0.822	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-5.6	-178	-83.8	164	0	0	0	115.6	L452	L452-L456 PolarHBondContact O-N 2.82Å
457	R	45	Very low	49.4	Very low	222 Å²	222	132.4 Å²	132.4	84%	0.838	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	9.7	-179.5	-158.5	170	-78.3	-123.3	-0.8	114	N454 S455	N454-R457 PolarHBondContact O-N 2.83Å; S455-R457 VanDerWaalsContact C-N 3.26Å; S455-R457 PolarHBondContact O-N 2.69Å
458	G	46.2	Very low	47.4	Very low	59 Å²	59	133 Å²	133	61%	0.608	67%	0.667	S	S	*	*			trans	-76.8	-16.3	-176.6	0	0	0	0	0	117.1	R460	G458-R460 PolarHBondContact O-N 2.8Å
459	S	48.6	Very low	46	Very low	79 Å²	79	132.3 Å²	132.3	55%	0.552	68%	0.678	S	S	*	*			trans	-76.7	97.3	-172.1	-171.7	0	0	0	0	113.2	K461 L462	S459-K461 PolarHBondContact O-N 2.95Å; S459-L462 PolarHBondContact O-N 2.86Å
460	R	47.8	Very low	44.6	Very low	232 Å²	232	135.1 Å²	135.1	88%	0.875	70%	0.699	S	S	*	*	H	α-helix	trans	-54.4	-25.2	178.8	-75.8	-175.1	172.3	-173	-2.7	114.5	G458 L462 K463	G458-R460 PolarHBondContact O-N 2.8Å; R460-L462 PolarHBondContact O-N 2.93Å; R460-K463 PolarHBondContact O-N 2.94Å
461	K	45.7	Very low	43.5	Very low	182 Å²	182	135.8 Å²	135.8	79%	0.791	71%	0.713	S	S	*	*	H	α-helix	trans	-69.2	-27.9	-176.1	-119	-177.1	179.2	-175.3	0	113.9	S459	S459-K461 PolarHBondContact O-N 2.95Å
462	L	44.8	Very low	41.9	Very low	127 Å²	127	132 Å²	132	67%	0.665	72%	0.717	S	S	*	*	H	α-helix	trans	-79.5	-27.3	178.1	-93.2	163.3	0	0	0	113.2	S459 R460 A464 L465	S459-L462 PolarHBondContact O-N 2.86Å; R460-L462 PolarHBondContact O-N 2.93Å; L462-A464 VanDerWaalsContact C-N 3.29Å; L462-A464 PolarHBondContact O-N 3.5Å; L462-L465 PolarHBondContact O-N 3.03Å
463	K	40	Very low	40.7	Very low	150 Å²	150	137.6 Å²	137.6	65%	0.652	74%	0.737	S	S	*	*	H	α-helix	trans	-68.3	-29.9	-179.8	-162.8	172.2	-177.9	-177.3	0	112.5	R460 L465 Q466	R460-K463 PolarHBondContact O-N 2.94Å; K463-L465 VanDerWaalsContact C-N 3.25Å; K463-L465 PolarHBondContact O-N 3Å; K463-Q466 PolarHBondContact O-N 2.64Å
464	A	42	Very low	39.6	Very low	74 Å²	74	133 Å²	133	61%	0.612	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-3.7	179.7	0	0	0	0	0	115.1	L462	L462-A464 VanDerWaalsContact C-N 3.29Å; L462-A464 PolarHBondContact O-N 3.5Å
465	L	40.6	Very low	38.4	Very low	146 Å²	146	134.6 Å²	134.6	76%	0.764	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	-4.4	176.5	-77.2	166.4	0	0	0	113.3	L462 K463	L462-L465 PolarHBondContact O-N 3.03Å; K463-L465 VanDerWaalsContact C-N 3.25Å; K463-L465 PolarHBondContact O-N 3Å
466	Q	41.3	Very low	37	Very low	161 Å²	161	134.1 Å²	134.1	75%	0.752	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-22.6	-180	-165.8	163.6	20	0	0	112.8	K463 T468	K463-Q466 PolarHBondContact O-N 2.64Å; Q466-T468 VanDerWaalsContact C-N 3.27Å; Q466-T468 PolarHBondContact O-N 3.17Å
467	D	34.3	Very low	36.1	Very low	129 Å²	129	134.4 Å²	134.4	69%	0.69	75%	0.753	S	S	*	*	S	Bend	trans	-85.5	24.3	-175.9	-65.4	-26.8	0	0	0	113.6
468	T	33.4	Very low	35.1	Very low	125 Å²	125	130.3 Å²	130.3	77%	0.767	74%	0.744	S	S	*	*	S	Bend	trans	-149.5	49.6	-178	-38.3	0	0	0	0	114.7	Q466	Q466-T468 VanDerWaalsContact C-N 3.27Å; Q466-T468 PolarHBondContact O-N 3.17Å
469	A	30.1	Very low	34.1	Very low	86 Å²	86	135.2 Å²	135.2	71%	0.711	75%	0.751	S	S	*	*			trans	-153.7	97.9	166.7	0	0	0	0	0	113.9
470	T	27.5	Very low	33	Very low	149 Å²	149	140.5 Å²	140.5	91%	0.914	77%	0.767	S	S	*	*			trans	-168.8	149.9	148.6	8.5	0	0	0	0	109.8
471	P	42.5	Very low	31.9	Very low	130 Å²	130	138.1 Å²	138.1	84%	0.844	77%	0.766	S	S	*	*			trans	-126.1	161.4	-149.3	40.8	-27.7	0	0	0	117.4
472	G	27.5	Very low	30.9	Very low	72 Å²	72	133.8 Å²	133.8	74%	0.742	76%	0.763	S	S	*	*			trans	125.6	153	144.1	0	0	0	0	0	118.6
473	K	24.2	Very low	29.9	Very low	213 Å²	213	134 Å²	134	93%	0.926	77%	0.77	S	S	*	*			trans	73.1	109.3	166.8	-57	-178.6	-179.7	-180	0	119.4
474	A	25.1	Very low	29.2	Very low	101 Å²	101	135.2 Å²	135.2	84%	0.835	78%	0.783	S	S	*	*			trans	-153.8	141.1	134.2	0	0	0	0	0	109.5
475	V	24	Very low	28.5	Very low	145 Å²	145	135.7 Å²	135.7	88%	0.879	79%	0.787	S	S	*	*			trans	-142.8	148	179.4	171.7	0	0	0	0	108.8
476	A	23.8	Very low	27.7	Very low	77 Å²	77	134.9 Å²	134.9	64%	0.636	79%	0.788	S	S	*	*			trans	83.5	141.4	163.8	0	0	0	0	0	121.5
477	Q	23.1	Very low	26.9	Very low	163 Å²	163	135.7 Å²	135.7	76%	0.762	79%	0.792	S	S	*	*			trans	84.4	103.8	137	-75	175.9	-81.9	0	0	123.8
478	Q	24.4	Very low	26.4	Very low	137 Å²	137	134.4 Å²	134.4	64%	0.64	79%	0.789	S	S	*	*				81.8	96.2	114.7	-74.1	-176.3	-63.3	0	0	122.8
479	Q	25.2	Very low	26	Very low	162 Å²	162	135 Å²	135	76%	0.757	79%	0.792	S	S	*	*				64.1	100.6	94.2	-171.9	179.3	32.6	0	0	119.6
480	Q	25.8	Very low	25.6	Very low	189 Å²	189	134.1 Å²	134.1	88%	0.883	79%	0.791	S	S	*	*			trans	-165.1	162.8	142.4	-107.8	169.9	33.5	0	0	109.6
481	Q	24.5	Very low	26.2	Very low	183 Å²	183	133.7 Å²	133.7	86%	0.855	79%	0.787	S	S	*	*				-167.8	101.7	-68.5	173.4	179.7	20.8	0	0	108.5
482	A	25.7	Very low	25.2	Very low	90 Å²	90	135.9 Å²	135.9	74%	0.744	79%	0.786	S	S	*	*			trans	-159.4	114.5	172	0	0	0	0	0	114.9
483	T	23.3	Very low	25.1	Very low	131 Å²	131	138.6 Å²	138.6	80%	0.804	78%	0.784	S	S	*	*			trans	49.2	131	145	55.3	0	0	0	0	123
484	L	26	Very low	25.6	Very low	177 Å²	177	137.2 Å²	137.2	93%	0.927	78%	0.781	S	S	*	*	S	Bend	trans	74.1	117.2	165.1	-57.3	172.2	0	0	0	118
485	A	26.8	Very low	25.5	Very low	83 Å²	83	136.4 Å²	136.4	69%	0.686	77%	0.774	S	S	*	*			cis	-156.9	110.7	-42.7	0	0	0	0	0	109.6
486	T	23.2	Very low	25.7	Very low	129 Å²	129	140.3 Å²	140.3	79%	0.791	78%	0.775	S	S	*	*			trans	22.1	130	138.5	-0.5	0	0	0	0	118.9
487	Q	24.1	Very low	26	Very low	178 Å²	178	143.9 Å²	143.9	83%	0.832	78%	0.782	S	S	*	*				-167.8	167.6	55.9	-98.8	-174.2	-70.6	0	0	109.9
488	V	25.1	Very low	26.9	Very low	103 Å²	103	141.3 Å²	141.3	62%	0.624	78%	0.78	S	S	*	*			cis	-167.4	145.8	-25.9	99.3	0	0	0	0	106.5
489	V	24	Very low	27.2	Very low	138 Å²	138	142.9 Å²	142.9	84%	0.836	79%	0.792	S	S	*	*				37.8	143.9	104.3	-170.7	0	0	0	0	114.8
490	G	22.2	Very low	27.7	Very low	67 Å²	67	143.7 Å²	143.7	69%	0.691	80%	0.796	S	S	*	*			cis	164.3	-167	2.4	0	0	0	0	0	109.6
491	V	40.4	Very low	28.3	Very low	139 Å²	139	141.4 Å²	141.4	84%	0.842	79%	0.79	S	S	*	*			trans	-84.3	128.8	-174.5	-179.8	0	0	0	0	113
492	E	21.3	Very low	28.6	Very low	176 Å²	176	141.3 Å²	141.3	82%	0.822	79%	0.79	S	S	*	*			trans	-137.7	119	149.3	-67.8	-166.5	156.9	0	0	104.8
493	N	24	Very low	29.2	Very low	129 Å²	129	142.6 Å²	142.6	69%	0.69	79%	0.791	S	S	*	*				113.4	122.8	56	-87.4	-28.6	0	0	0	108.4	A495	N493-A495 PolarHBondContact O-N 3.12Å
494	E	36.4	Very low	29.6	Very low	184 Å²	184	145.5 Å²	145.5	86%	0.86	80%	0.795	S	S	*	*			trans	15.6	101	141.9	-67.4	-62.7	151	0	0	118.2
495	A	22.7	Very low	29.9	Very low	84 Å²	84	141.7 Å²	141.7	69%	0.694	79%	0.789	S	S	*	*				170.4	113.6	120.7	0	0	0	0	0	112.5	N493	N493-A495 PolarHBondContact O-N 3.12Å
496	Y	27.8	Very low	30.6	Very low	228 Å²	228	145.2 Å²	145.2	89%	0.894	79%	0.791	S	S	*	*				-161.8	164.1	92.3	-134.9	-100.9	0	0	0	112.2
497	L	29.6	Very low	31.6	Very low	151 Å²	151	146.3 Å²	146.3	79%	0.791	79%	0.788	S	S	*	*			trans	-81.6	169.8	178.9	-86.1	167.8	0	0	0	111.9
498	P	42.5	Very low	32.8	Very low	109 Å²	109	142 Å²	142	71%	0.708	77%	0.769	S	S	*	*			trans	-82.6	168.7	-159.5	35.3	-38.4	0	0	0	114.3
499	D	30.4	Very low	34.3	Very low	170 Å²	170	142.9 Å²	142.9	91%	0.909	77%	0.77	S	S	*	*			trans	-133.8	156.8	157.5	-97.7	-45.6	0	0	0	109.1
500	E	36.9	Very low	36.1	Very low	180 Å²	180	137.5 Å²	137.5	84%	0.841	74%	0.743	S	S	*	*			trans	-101.7	177.6	-163.2	-57.5	-162.9	103.9	0	0	115.5
501	D	37.8	Very low	38.4	Very low	140 Å²	140	137.1 Å²	137.1	75%	0.749	72%	0.721	S	S	*	*			trans	55.5	97.8	158.7	-80	-28.8	0	0	0	120.1
502	Q	29.5	Very low	40	Very low	181 Å²	181	133 Å²	133	85%	0.846	71%	0.706	S	S	*	*				-160.3	166.1	122.4	-124.9	98	114.2	0	0	109
503	P	39	Very low	42.6	Very low	118 Å²	118	129.4 Å²	129.4	77%	0.766	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-99.2	162.3	-133.3	0.8	22.6	0	0	0	114.4
504	Q	31.2	Very low	45.2	Very low	191 Å²	191	126.5 Å²	126.5	89%	0.893	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-58.9	143.3	168.4	-62.9	171.7	-55.4	0	0	111.1
505	A	33.8	Very low	47.3	Very low	97 Å²	97	119.1 Å²	119.1	80%	0.802	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-71.4	128.9	166.1	0	0	0	0	0	109.4	Q507	A505-Q507 PolarHBondContact O-N 2.81Å; A505-Q507 VanDerWaalsContact O-N 3.11Å
506	E	40.4	Very low	49.9	Very low	157 Å²	157	117.1 Å²	117.1	73%	0.734	62%	0.623	S	S	*	*			trans	-57.5	114.3	178.6	-66.1	-177	157.6	0	0	110.7	R520	E506-R520 IonicContact OE2-NH1 3.81Å
507	Q	44.4	Very low	52.4	Low	153 Å²	153	107.3 Å²	107.3	72%	0.715	59%	0.59	S	S	*	*			trans	-74.7	125.3	168	-167.1	178.1	-66.3	0	0	108.3	A505 D509	A505-Q507 PolarHBondContact O-N 2.81Å; A505-Q507 VanDerWaalsContact O-N 3.11Å; Q507-D509 WeakPolarHBondContact CG-OD1 3.38Å; Q507-D509 PolarHBondContact NE2-OD1 3.1Å; Q507-D509 PolarHBondContact O-N 2.94Å
508	I	50.3	Low	54.9	Low	87 Å²	87	101.5 Å²	101.5	45%	0.446	56%	0.559	S	S	.	*			trans	-90.8	94.2	-176.1	-55.5	178.2	0	0	0	108.7	E513 L514 A517	I508-E513 HydrophobicContact CG2-CB 3.85Å; I508-L514 HydrophobicContact CG2-CB 4.1Å; I508-A517 HydrophobicContact CD1-CB 3.96Å
509	D	54.9	Low	56.8	Low	121 Å²	121	98.8 Å²	98.8	65%	0.647	54%	0.541	S	S	*	.			trans	-91.8	-10.8	-173	-71.4	-31.4	0	0	0	113.6	Q507 E513	Q507-D509 WeakPolarHBondContact CG-OD1 3.38Å; Q507-D509 PolarHBondContact NE2-OD1 3.1Å; Q507-D509 PolarHBondContact O-N 2.94Å; D509-E513 PolarHBondContact N-OE2 3.27Å
510	G	62.4	Low	59.4	Low	25 Å²	25	97 Å²	97	26%	0.258	52%	0.521	S	S	.	.			trans	-120.6	142.8	-178.9	0	0	0	0	0	116.4	G512 E513 L514	G510-G512 VanDerWaalsContact C-N 3.28Å; G510-G512 PolarHBondContact O-N 2.99Å; G510-E513 PolarHBondContact N-OE2 2.92Å; G510-E513 VanDerWaalsContact N-OE2 3.15Å; G510-E513 WeakPolarHBondContact O-CB 3.27Å; G510-E513 PolarHBondContact O-N 3.43Å; G510-L514 PolarHBondContact O-N 2.74Å
511	Y	70.9	Confident	61.5	Low	59 Å²	59	92.3 Å²	92.3	23%	0.231	50%	0.501	C	S	.	.	H	α-helix	trans	-56.2	-39.4	170.2	167.6	-103.9	0	0	0	112.7	E513 L514 I515 L544 A550 L553	Y511-E513 VanDerWaalsContact C-N 3.31Å; Y511-E513 PolarHBondContact O-N 2.95Å; Y511-L514 PolarHBondContact O-N 2.72Å; Y511-I515 HydrophobicContact CD2-CG1 4.36Å; Y511-I515 HydrophobicContact CE1-CG1 4.25Å; Y511-I515 HydrophobicContact CE2-CD1 4.08Å; Y511-I515 HydrophobicContact CE2-CG1 3.83Å; Y511-I515 WeakPolarHBondContact O-CG1 3.42Å; Y511-I515 PolarHBondContact O-N 3.26Å; Y511-L544 PolarHBondContact OH-O 3.14Å; Y511-A550 HydrophobicContact CE1-CB 4.3Å; Y511-A550 WeakPolarHBondContact OH-CB 3.38Å; Y511-L553 HydrophobicContact CD2-CB 4.24Å; Y511-L553 HydrophobicContact CD2-CD1 3.86Å; Y511-L553 HydrophobicContact CE2-CB 4.5Å; Y511-L553 HydrophobicContact CE2-CD1 3.74Å
512	G	72.6	Confident	63.6	Low	52 Å²	52	88.3 Å²	88.3	54%	0.536	48%	0.478	S	S	.	.	H	α-helix	trans	-63.8	-35.7	174.9	0	0	0	0	0	113	G510 A516	G510-G512 VanDerWaalsContact C-N 3.28Å; G510-G512 PolarHBondContact O-N 2.99Å; G512-A516 WeakPolarHBondContact O-CB 3.34Å; G512-A516 PolarHBondContact O-N 3.2Å
513	E	76.2	Confident	66.1	Low	101 Å²	101	83.5 Å²	83.5	47%	0.472	46%	0.458	S	S	.	.	H	α-helix	trans	-73.1	-37.1	176.8	-59.8	-179.2	140.2	0	0	111.7	I508 D509 G510 Y511 A516 A517	I508-E513 HydrophobicContact CG2-CB 3.85Å; D509-E513 PolarHBondContact N-OE2 3.27Å; G510-E513 PolarHBondContact N-OE2 2.92Å; G510-E513 VanDerWaalsContact N-OE2 3.15Å; G510-E513 WeakPolarHBondContact O-CB 3.27Å; G510-E513 PolarHBondContact O-N 3.43Å; Y511-E513 VanDerWaalsContact C-N 3.31Å; Y511-E513 PolarHBondContact O-N 2.95Å; E513-A516 CarbonylContact O-C 3.53Å; E513-A516 PolarHBondContact O-N 3.49Å; E513-A517 WeakPolarHBondContact O-CB 3.4Å; E513-A517 PolarHBondContact O-N 3.47Å
514	L	78.8	Confident	68	Low	68 Å²	68	83.7 Å²	83.7	36%	0.356	45%	0.449	S	S	.	.	H	α-helix	trans	-60.1	-46.4	172.2	178.2	63.4	0	0	0	111.4	I508 G510 Y511 A517 L518	I508-L514 HydrophobicContact CG2-CB 4.1Å; G510-L514 PolarHBondContact O-N 2.74Å; Y511-L514 PolarHBondContact O-N 2.72Å; L514-A517 PolarHBondContact O-N 2.85Å; L514-L518 HydrophobicContact CD1-CD1 4.36Å; L514-L518 HydrophobicContact CD1-CG 4.49Å; L514-L518 HydrophobicContact CG-CD1 4.25Å; L514-L518 WeakPolarHBondContact O-CB 3.34Å; L514-L518 VanDerWaalsContact O-CG 3.31Å; L514-L518 WeakPolarHBondContact O-CG 3.16Å; L514-L518 PolarHBondContact O-N 2.8Å
515	I	81.1	Confident	70.3	Confident	30 Å²	30	75.6 Å²	75.6	15%	0.154	41%	0.412	C	S	.	.	H	α-helix	trans	-63	-42.4	174.6	-68.8	-61.6	0	0	0	111.2	Y511 L518 T519 L544	Y511-I515 HydrophobicContact CD2-CG1 4.36Å; Y511-I515 HydrophobicContact CE1-CG1 4.25Å; Y511-I515 HydrophobicContact CE2-CD1 4.08Å; Y511-I515 HydrophobicContact CE2-CG1 3.83Å; Y511-I515 WeakPolarHBondContact O-CG1 3.42Å; Y511-I515 PolarHBondContact O-N 3.26Å; I515-L518 PolarHBondContact O-N 2.93Å; I515-T519 WeakPolarHBondContact O-CB 3.47Å; I515-T519 PolarHBondContact O-N 2.83Å; I515-T519 PolarHBondContact O-OG1 3.2Å; I515-L544 HydrophobicContact CD1-CB 3.89Å
516	A	77.8	Confident	72.3	Confident	41 Å²	41	74 Å²	74	34%	0.339	40%	0.395	S	S	.	.	H	α-helix	trans	-67.3	-33.4	175.3	0	0	0	0	0	113.1	G512 E513 R520	G512-A516 WeakPolarHBondContact O-CB 3.34Å; G512-A516 PolarHBondContact O-N 3.2Å; E513-A516 CarbonylContact O-C 3.53Å; E513-A516 PolarHBondContact O-N 3.49Å; A516-R520 WeakPolarHBondContact O-CB 3.45Å; A516-R520 VanDerWaalsContact O-CG 3.25Å; A516-R520 WeakPolarHBondContact O-CG 3.42Å; A516-R520 PolarHBondContact O-N 3.25Å; A516-R520 PolarHBondContact O-NE 3.39Å
517	A	80.5	Confident	74.2	Confident	23 Å²	23	74.1 Å²	74.1	19%	0.19	39%	0.393	C	S	.	.	H	α-helix	trans	-71.1	-44.3	175.5	0	0	0	0	0	111.1	I508 E513 L514 T519 R520 L521	I508-A517 HydrophobicContact CD1-CB 3.96Å; E513-A517 WeakPolarHBondContact O-CB 3.4Å; E513-A517 PolarHBondContact O-N 3.47Å; L514-A517 PolarHBondContact O-N 2.85Å; A517-T519 VanDerWaalsContact C-N 3.31Å; A517-T519 PolarHBondContact O-N 3.06Å; A517-R520 PolarHBondContact O-N 3.41Å; A517-L521 VanDerWaalsContact O-CB 3.28Å; A517-L521 WeakPolarHBondContact O-CB 3.45Å; A517-L521 PolarHBondContact O-N 3Å
518	L	82.1	Confident	75.8	Confident	28 Å²	28	70.3 Å²	70.3	15%	0.147	38%	0.383	C	S	.	.	H	α-helix	trans	-61	-39.4	172.1	-71.6	168.3	0	0	0	111.6	L514 I515 L521 Q522 V537 L544	L514-L518 HydrophobicContact CD1-CD1 4.36Å; L514-L518 HydrophobicContact CD1-CG 4.49Å; L514-L518 HydrophobicContact CG-CD1 4.25Å; L514-L518 WeakPolarHBondContact O-CB 3.34Å; L514-L518 VanDerWaalsContact O-CG 3.31Å; L514-L518 WeakPolarHBondContact O-CG 3.16Å; L514-L518 PolarHBondContact O-N 2.8Å; I515-L518 PolarHBondContact O-N 2.93Å; L518-L521 PolarHBondContact O-N 3.29Å; L518-Q522 WeakPolarHBondContact O-CB 3.45Å; L518-Q522 PolarHBondContact O-N 2.9Å; L518-V537 HydrophobicContact CD2-CG1 4.08Å; L518-L544 HydrophobicContact CD1-CD1 3.61Å
519	T	81.8	Confident	76.8	Confident	53 Å²	53	69 Å²	69	33%	0.325	39%	0.391	S	S	.	.	H	α-helix	trans	-64.4	-44.7	173.7	-60.6	0	0	0	0	112	I515 A517 N523 H541	I515-T519 WeakPolarHBondContact O-CB 3.47Å; I515-T519 PolarHBondContact O-N 2.83Å; I515-T519 PolarHBondContact O-OG1 3.2Å; A517-T519 VanDerWaalsContact C-N 3.31Å; A517-T519 PolarHBondContact O-N 3.06Å; T519-N523 WeakPolarHBondContact O-CB 3.27Å; T519-N523 PolarHBondContact O-N 3.02Å; T519-N523 VanDerWaalsContact O-N 3.15Å; T519-N523 PolarHBondContact O-ND2 3.34Å; T519-H541 PolarHBondContact OG1-NE2 2.87Å; T519-H541 VanDerWaalsContact OG1-NE2 3.14Å
520	R	84.6	Confident	77.7	Confident	133 Å²	133	67.4 Å²	67.4	50%	0.502	38%	0.382	S	S	.	.	H	α-helix	trans	-60.8	-45.9	174.5	-77.5	179.5	-78.5	171.1	-1.1	110.8	E506 A516 A517 N523 Q524	E506-R520 IonicContact OE2-NH1 3.81Å; A516-R520 WeakPolarHBondContact O-CB 3.45Å; A516-R520 VanDerWaalsContact O-CG 3.25Å; A516-R520 WeakPolarHBondContact O-CG 3.42Å; A516-R520 PolarHBondContact O-N 3.25Å; A516-R520 PolarHBondContact O-NE 3.39Å; A517-R520 PolarHBondContact O-N 3.41Å; R520-N523 PolarHBondContact O-N 3.24Å; R520-Q524 WeakPolarHBondContact O-CG 3.31Å; R520-Q524 PolarHBondContact O-N 3.12Å
521	L	82.1	Confident	78.2	Confident	81 Å²	81	70.3 Å²	70.3	42%	0.424	40%	0.398	S	S	.	.	H	α-helix	trans	-64.2	-46.2	179.2	-177.8	62.4	0	0	0	112.5	A517 L518 N523 Q524 L525 V537	A517-L521 VanDerWaalsContact O-CB 3.28Å; A517-L521 WeakPolarHBondContact O-CB 3.45Å; A517-L521 PolarHBondContact O-N 3Å; L518-L521 PolarHBondContact O-N 3.29Å; L521-N523 VanDerWaalsContact C-N 3.29Å; L521-N523 PolarHBondContact O-N 3.33Å; L521-Q524 PolarHBondContact O-N 3.46Å; L521-Q524 VanDerWaalsContact O-N 3.14Å; L521-L525 HydrophobicContact CD1-CD1 4.04Å; L521-L525 HydrophobicContact CD1-CG 4.11Å; L521-L525 HydrophobicContact CG-CD1 3.92Å; L521-L525 HydrophobicContact CG-CG 4.38Å; L521-L525 WeakPolarHBondContact O-CG 3.22Å; L521-L525 PolarHBondContact O-N 2.69Å; L521-V537 HydrophobicContact CD2-CG1 4.36Å; L521-V537 HydrophobicContact CD2-CG2 4.2Å; L521-V537 HydrophobicContact CG-CG1 4.46Å
522	Q	81.5	Confident	78.5	Confident	55 Å²	55	72.9 Å²	72.9	26%	0.257	42%	0.42	S	S	.	.	H	α-helix	trans	-57.2	-42.9	175.2	-177	-177.1	-34.2	0	0	111.4	L518 Q524 L525 S526 V537 S538	L518-Q522 WeakPolarHBondContact O-CB 3.45Å; L518-Q522 PolarHBondContact O-N 2.9Å; Q522-Q524 VanDerWaalsContact C-N 3.34Å; Q522-Q524 PolarHBondContact O-N 3.23Å; Q522-L525 PolarHBondContact O-N 2.68Å; Q522-S526 WeakPolarHBondContact O-CB 3.37Å; Q522-S526 PolarHBondContact O-N 3.43Å; Q522-S526 PolarHBondContact O-OG 3.04Å; Q522-V537 HydrophobicContact CB-CG1 4Å; Q522-S538 VanDerWaalsContact CD-CB 3.47Å; Q522-S538 PolarHBondContact NE2-OG 3.27Å; Q522-S538 VanDerWaalsContact NE2-OG 3.14Å; Q522-S538 VanDerWaalsContact OE1-CA 3.27Å; Q522-S538 VanDerWaalsContact OE1-CB 3.25Å; Q522-S538 PolarHBondContact OE1-OG 2.96Å; Q522-S538 VanDerWaalsContact OE1-OG 3.06Å
523	N	80.8	Confident	78.7	Confident	80 Å²	80	74.3 Å²	74.3	43%	0.428	42%	0.415	S	S	.	.	H	α-helix	trans	-69.5	-26.8	178.2	-82.7	-69	0	0	0	113.7	T519 R520 L521 S526 K527	T519-N523 WeakPolarHBondContact O-CB 3.27Å; T519-N523 PolarHBondContact O-N 3.02Å; T519-N523 VanDerWaalsContact O-N 3.15Å; T519-N523 PolarHBondContact O-ND2 3.34Å; R520-N523 PolarHBondContact O-N 3.24Å; L521-N523 VanDerWaalsContact C-N 3.29Å; L521-N523 PolarHBondContact O-N 3.33Å; N523-S526 WeakPolarHBondContact CA-OG 3.35Å; N523-S526 PolarHBondContact O-OG 3.43Å; N523-K527 VanDerWaalsContact O-CD 3.3Å; N523-K527 WeakPolarHBondContact O-CD 3.4Å; N523-K527 VanDerWaalsContact O-CG 3.23Å; N523-K527 WeakPolarHBondContact O-CG 3.38Å
524	Q	79.7	Confident	78.8	Confident	123 Å²	123	69.9 Å²	69.9	58%	0.575	40%	0.396	S	S	*	.	H	α-helix	trans	-79	-43.5	172.4	-68.2	-66.6	4.7	0	0	111.7	R520 L521 Q522 S526 K527 S528	R520-Q524 WeakPolarHBondContact O-CG 3.31Å; R520-Q524 PolarHBondContact O-N 3.12Å; L521-Q524 PolarHBondContact O-N 3.46Å; L521-Q524 VanDerWaalsContact O-N 3.14Å; Q522-Q524 VanDerWaalsContact C-N 3.34Å; Q522-Q524 PolarHBondContact O-N 3.23Å; Q524-S526 VanDerWaalsContact C-N 3.33Å; Q524-S526 PolarHBondContact O-N 3.31Å; Q524-K527 PolarHBondContact O-N 3.28Å; Q524-K527 VanDerWaalsContact O-N 3.1Å; Q524-S528 PolarHBondContact O-N 3.17Å; Q524-S528 PolarHBondContact O-OG 3.18Å
525	L	79.2	Confident	78.5	Confident	21 Å²	21	68.6 Å²	68.6	11%	0.11	40%	0.399	C	S	.	.	H	α-helix	trans	-67	-31	-179.7	-68.4	175.8	0	0	0	113.6	L521 Q522 S528 L530 L533 A534 V537	L521-L525 HydrophobicContact CD1-CD1 4.04Å; L521-L525 HydrophobicContact CD1-CG 4.11Å; L521-L525 HydrophobicContact CG-CD1 3.92Å; L521-L525 HydrophobicContact CG-CG 4.38Å; L521-L525 WeakPolarHBondContact O-CG 3.22Å; L521-L525 PolarHBondContact O-N 2.69Å; Q522-L525 PolarHBondContact O-N 2.68Å; L525-S528 WeakPolarHBondContact CA-OG 3.36Å; L525-S528 PolarHBondContact O-OG 2.76Å; L525-L530 HydrophobicContact CD2-CB 4.45Å; L525-L530 HydrophobicContact CD2-CD1 4.11Å; L525-L530 PolarHBondContact O-N 3.05Å; L525-L530 VanDerWaalsContact O-N 3.11Å; L525-L533 HydrophobicContact CD1-CB 4.34Å; L525-L533 HydrophobicContact CD1-CD2 3.9Å; L525-L533 HydrophobicContact CD1-CG 3.93Å; L525-L533 HydrophobicContact CD2-CD2 3.93Å; L525-A534 HydrophobicContact CB-CB 3.85Å; L525-V537 HydrophobicContact CD1-CG2 3.8Å
526	S	76.4	Confident	78.5	Confident	63 Å²	63	76.3 Å²	76.3	44%	0.441	43%	0.426	S	S	.	.	H	α-helix	trans	-72.3	-29.9	171.6	48.8	0	0	0	0	112.8	Q522 N523 Q524	Q522-S526 WeakPolarHBondContact O-CB 3.37Å; Q522-S526 PolarHBondContact O-N 3.43Å; Q522-S526 PolarHBondContact O-OG 3.04Å; N523-S526 WeakPolarHBondContact CA-OG 3.35Å; N523-S526 PolarHBondContact O-OG 3.43Å; Q524-S526 VanDerWaalsContact C-N 3.33Å; Q524-S526 PolarHBondContact O-N 3.31Å
527	K	79.8	Confident	78.7	Confident	159 Å²	159	75.2 Å²	75.2	69%	0.691	42%	0.416	S	S	*	.	H	α-helix	trans	-77.7	-31.7	174.1	-72.1	172.9	-173.2	179.1	0	113.4	N523 Q524 G529	N523-K527 VanDerWaalsContact O-CD 3.3Å; N523-K527 WeakPolarHBondContact O-CD 3.4Å; N523-K527 VanDerWaalsContact O-CG 3.23Å; N523-K527 WeakPolarHBondContact O-CG 3.38Å; Q524-K527 PolarHBondContact O-N 3.28Å; Q524-K527 VanDerWaalsContact O-N 3.1Å; K527-G529 PolarHBondContact O-N 3.14Å
528	S	78.1	Confident	78.7	Confident	74 Å²	74	76.2 Å²	76.2	52%	0.517	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	6	177	65.3	0	0	0	0	114.4	Q524 L525 L530	Q524-S528 PolarHBondContact O-N 3.17Å; Q524-S528 PolarHBondContact O-OG 3.18Å; L525-S528 WeakPolarHBondContact CA-OG 3.36Å; L525-S528 PolarHBondContact O-OG 2.76Å; S528-L530 VanDerWaalsContact C-N 3.27Å; S528-L530 PolarHBondContact O-N 3.12Å
529	G	70.9	Confident	78.5	Confident	59 Å²	59	77.6 Å²	77.6	61%	0.608	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	0.6	177.4	0	0	0	0	0	115.2	K527 S531	K527-G529 PolarHBondContact O-N 3.14Å; G529-S531 PolarHBondContact O-N 3.44Å
530	L	75.4	Confident	78.2	Confident	88 Å²	88	77.1 Å²	77.1	46%	0.461	44%	0.438	S	S	.	.			trans	-81.5	56.5	-179.9	-64.1	176.1	0	0	0	111.7	L525 S528 T532 L533 A534	L525-L530 HydrophobicContact CD2-CB 4.45Å; L525-L530 HydrophobicContact CD2-CD1 4.11Å; L525-L530 PolarHBondContact O-N 3.05Å; L525-L530 VanDerWaalsContact O-N 3.11Å; S528-L530 VanDerWaalsContact C-N 3.27Å; S528-L530 PolarHBondContact O-N 3.12Å; L530-T532 VanDerWaalsContact C-N 3.28Å; L530-T532 PolarHBondContact O-N 2.98Å; L530-L533 HydrophobicContact CB-CB 4.32Å; L530-L533 PolarHBondContact O-N 2.71Å; L530-A534 PolarHBondContact O-N 3.41Å
531	S	73.1	Confident	78.1	Confident	85 Å²	85	72.8 Å²	72.8	59%	0.594	42%	0.423	S	S	*	.	H	α-helix	trans	-55	-36.8	-173.2	59.8	0	0	0	0	114.1	G529 A534 G535	G529-S531 PolarHBondContact O-N 3.44Å; S531-A534 PolarHBondContact O-N 2.86Å; S531-G535 PolarHBondContact O-N 2.9Å
532	T	77.3	Confident	77.9	Confident	113 Å²	113	73 Å²	73	69%	0.693	43%	0.431	S	S	*	.	H	α-helix	trans	-67.3	-34.3	177.2	53.2	0	0	0	0	112.8	L530 R536	L530-T532 VanDerWaalsContact C-N 3.28Å; L530-T532 PolarHBondContact O-N 2.98Å; T532-R536 PolarHBondContact O-N 2.78Å
533	L	74.9	Confident	77.7	Confident	82 Å²	82	74.8 Å²	74.8	43%	0.429	45%	0.446	S	S	.	.	H	α-helix	trans	-80.1	-40.8	176.2	-161.9	68.3	0	0	0	110.8	L525 L530 G535 R536 V537	L525-L533 HydrophobicContact CD1-CB 4.34Å; L525-L533 HydrophobicContact CD1-CD2 3.9Å; L525-L533 HydrophobicContact CD1-CG 3.93Å; L525-L533 HydrophobicContact CD2-CD2 3.93Å; L530-L533 HydrophobicContact CB-CB 4.32Å; L530-L533 PolarHBondContact O-N 2.71Å; L533-G535 VanDerWaalsContact C-N 3.29Å; L533-G535 PolarHBondContact O-N 3.37Å; L533-R536 PolarHBondContact O-N 2.84Å; L533-R536 VanDerWaalsContact O-N 3.13Å; L533-V537 WeakPolarHBondContact O-CG2 3.21Å; L533-V537 PolarHBondContact O-N 3.27Å
534	A	78.5	Confident	77.3	Confident	9 Å²	9	73.2 Å²	73.2	7%	0.074	44%	0.437	C	S	.	.	H	α-helix	trans	-57.5	-41	172.9	0	0	0	0	0	112	L525 L530 S531 V537 S538	L525-A534 HydrophobicContact CB-CB 3.85Å; L530-A534 PolarHBondContact O-N 3.41Å; S531-A534 PolarHBondContact O-N 2.86Å; A534-V537 PolarHBondContact O-N 3.5Å; A534-S538 WeakPolarHBondContact O-CB 3.48Å; A534-S538 PolarHBondContact O-N 3.03Å
535	G	74.2	Confident	77	Confident	41 Å²	41	69.7 Å²	69.7	42%	0.423	43%	0.429	S	S	.	.	H	α-helix	trans	-63.3	-39.2	174.2	0	0	0	0	0	113.5	S531 L533 S538 A539	S531-G535 PolarHBondContact O-N 2.9Å; L533-G535 VanDerWaalsContact C-N 3.29Å; L533-G535 PolarHBondContact O-N 3.37Å; G535-S538 PolarHBondContact O-N 3.01Å; G535-A539 PolarHBondContact O-N 2.97Å
536	R	79.8	Confident	77	Confident	191 Å²	191	70.6 Å²	70.6	72%	0.721	44%	0.437	S	S	*	.	H	α-helix	trans	-66.5	-42.5	174.3	-74.7	179.1	173.3	-167	-2.4	112.5	T532 L533 S538 A539 A540	T532-R536 PolarHBondContact O-N 2.78Å; L533-R536 PolarHBondContact O-N 2.84Å; L533-R536 VanDerWaalsContact O-N 3.13Å; R536-S538 VanDerWaalsContact C-N 3.31Å; R536-S538 PolarHBondContact O-N 3.12Å; R536-A539 PolarHBondContact O-N 3.21Å; R536-A540 PolarHBondContact O-N 2.98Å
537	V	82.7	Confident	76.6	Confident	19 Å²	19	71.7 Å²	71.7	12%	0.115	45%	0.45	C	S	.	.	H	α-helix	trans	-63.9	-38.6	174.7	176.1	0	0	0	0	110.8	L518 L521 Q522 L525 L533 A534 A540 H541	L518-V537 HydrophobicContact CD2-CG1 4.08Å; L521-V537 HydrophobicContact CD2-CG1 4.36Å; L521-V537 HydrophobicContact CD2-CG2 4.2Å; L521-V537 HydrophobicContact CG-CG1 4.46Å; Q522-V537 HydrophobicContact CB-CG1 4Å; L525-V537 HydrophobicContact CD1-CG2 3.8Å; L533-V537 WeakPolarHBondContact O-CG2 3.21Å; L533-V537 PolarHBondContact O-N 3.27Å; A534-V537 PolarHBondContact O-N 3.5Å; V537-A540 PolarHBondContact O-N 3.15Å; V537-H541 WeakPolarHBondContact O-CB 3.34Å; V537-H541 PolarHBondContact O-N 2.98Å
538	S	80	Confident	75.8	Confident	43 Å²	43	68.1 Å²	68.1	30%	0.301	45%	0.446	S	S	.	.	H	α-helix	trans	-66.3	-39.2	175.8	-159	0	0	0	0	113.1	Q522 A534 G535 R536 H541 S542	Q522-S538 VanDerWaalsContact CD-CB 3.47Å; Q522-S538 PolarHBondContact NE2-OG 3.27Å; Q522-S538 VanDerWaalsContact NE2-OG 3.14Å; Q522-S538 VanDerWaalsContact OE1-CA 3.27Å; Q522-S538 VanDerWaalsContact OE1-CB 3.25Å; Q522-S538 PolarHBondContact OE1-OG 2.96Å; Q522-S538 VanDerWaalsContact OE1-OG 3.06Å; A534-S538 WeakPolarHBondContact O-CB 3.48Å; A534-S538 PolarHBondContact O-N 3.03Å; G535-S538 PolarHBondContact O-N 3.01Å; R536-S538 VanDerWaalsContact C-N 3.31Å; R536-S538 PolarHBondContact O-N 3.12Å; S538-H541 PolarHBondContact O-N 3.4Å; S538-S542 WeakPolarHBondContact O-CB 3.37Å; S538-S542 PolarHBondContact O-N 2.76Å
539	A	77.4	Confident	75.4	Confident	57 Å²	57	66.9 Å²	66.9	47%	0.471	44%	0.435	S	S	.	.	H	α-helix	trans	-63.2	-45	173	0	0	0	0	0	111.8	G535 R536 H541 S542 V543	G535-A539 PolarHBondContact O-N 2.97Å; R536-A539 PolarHBondContact O-N 3.21Å; A539-H541 PolarHBondContact O-N 3.26Å; A539-S542 PolarHBondContact O-N 2.97Å; A539-V543 WeakPolarHBondContact O-CG2 3.36Å; A539-V543 PolarHBondContact O-N 3.49Å
540	A	76.6	Confident	75.3	Confident	44 Å²	44	65.1 Å²	65.1	36%	0.364	41%	0.414	S	S	.	.	H	α-helix	trans	-60.9	-44.4	175.4	0	0	0	0	0	112.1	R536 V537 S542 V543 L544	R536-A540 PolarHBondContact O-N 2.98Å; V537-A540 PolarHBondContact O-N 3.15Å; A540-S542 VanDerWaalsContact C-N 3.35Å; A540-S542 PolarHBondContact O-N 3.04Å; A540-V543 PolarHBondContact O-N 2.84Å; A540-L544 WeakPolarHBondContact O-CG 3.4Å; A540-L544 PolarHBondContact O-N 2.9Å
541	H	81.1	Confident	74.8	Confident	42 Å²	42	67.7 Å²	67.7	19%	0.194	42%	0.424	C	S	.	.	H	α-helix	trans	-58.1	-44.6	173.2	-179.8	-74.1	0	0	0	111.7	T519 V537 S538 A539 V543 L544 A545	T519-H541 PolarHBondContact OG1-NE2 2.87Å; T519-H541 VanDerWaalsContact OG1-NE2 3.14Å; V537-H541 WeakPolarHBondContact O-CB 3.34Å; V537-H541 PolarHBondContact O-N 2.98Å; S538-H541 PolarHBondContact O-N 3.4Å; A539-H541 PolarHBondContact O-N 3.26Å; H541-V543 VanDerWaalsContact C-N 3.33Å; H541-V543 PolarHBondContact O-N 2.89Å; H541-L544 PolarHBondContact O-N 3.09Å; H541-A545 WeakPolarHBondContact O-CB 3.49Å; H541-A545 PolarHBondContact O-N 2.85Å
542	S	77.7	Confident	74.5	Confident	84 Å²	84	68.4 Å²	68.4	59%	0.587	42%	0.424	S	S	*	.	H	α-helix	trans	-67.8	-28.4	179.6	-169.4	0	0	0	0	114	S538 A539 A540	S538-S542 WeakPolarHBondContact O-CB 3.37Å; S538-S542 PolarHBondContact O-N 2.76Å; A539-S542 PolarHBondContact O-N 2.97Å; A540-S542 VanDerWaalsContact C-N 3.35Å; A540-S542 PolarHBondContact O-N 3.04Å
543	V	77.9	Confident	73.9	Confident	94 Å²	94	65.4 Å²	65.4	57%	0.57	40%	0.404	S	S	*	.	H	α-helix	trans	-76.1	-47	174.4	171.4	0	0	0	0	110.5	A539 A540 H541 S546	A539-V543 WeakPolarHBondContact O-CG2 3.36Å; A539-V543 PolarHBondContact O-N 3.49Å; A540-V543 PolarHBondContact O-N 2.84Å; H541-V543 VanDerWaalsContact C-N 3.33Å; H541-V543 PolarHBondContact O-N 2.89Å; V543-S546 WeakPolarHBondContact O-CB 3.18Å; V543-S546 PolarHBondContact O-N 2.98Å; V543-S546 PolarHBondContact O-OG 3.03Å
544	L	73.3	Confident	73.3	Confident	46 Å²	46	64 Å²	64	24%	0.241	40%	0.404	C	S	.	.	H	α-helix	trans	-64.3	-42.5	179.3	-69.4	169.1	0	0	0	112	Y511 I515 L518 A540 H541 S546 V549 L553	Y511-L544 PolarHBondContact OH-O 3.14Å; I515-L544 HydrophobicContact CD1-CB 3.89Å; L518-L544 HydrophobicContact CD1-CD1 3.61Å; A540-L544 WeakPolarHBondContact O-CG 3.4Å; A540-L544 PolarHBondContact O-N 2.9Å; H541-L544 PolarHBondContact O-N 3.09Å; L544-S546 PolarHBondContact O-N 2.69Å; L544-V549 HydrophobicContact CD2-CG1 4.31Å; L544-L553 HydrophobicContact CD2-CD1 4.07Å
545	A	72.3	Confident	72.5	Confident	50 Å²	50	65.9 Å²	65.9	41%	0.413	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	3.3	177.4	0	0	0	0	0	114.5	H541	H541-A545 WeakPolarHBondContact O-CB 3.49Å; H541-A545 PolarHBondContact O-N 2.85Å
546	S	79.4	Confident	71.9	Confident	39 Å²	39	70.2 Å²	70.2	27%	0.273	42%	0.423	S	S	.	.	S	Bend	trans	-69	139.2	173.2	69.6	0	0	0	0	110.6	V543 L544 S548 V549 A550	V543-S546 WeakPolarHBondContact O-CB 3.18Å; V543-S546 PolarHBondContact O-N 2.98Å; V543-S546 PolarHBondContact O-OG 3.03Å; L544-S546 PolarHBondContact O-N 2.69Å; S546-S548 VanDerWaalsContact C-N 3.26Å; S546-S548 PolarHBondContact O-N 2.69Å; S546-S548 VanDerWaalsContact O-N 3.13Å; S546-V549 PolarHBondContact O-N 2.76Å; S546-V549 VanDerWaalsContact O-N 3.11Å; S546-V549 WeakPolarHBondContact OG-CB 3.21Å; S546-V549 VanDerWaalsContact OG-CG2 3.29Å; S546-V549 WeakPolarHBondContact OG-CG2 3.39Å; S546-A550 WeakPolarHBondContact O-CB 3.37Å; S546-A550 PolarHBondContact O-N 2.8Å
547	A	67.6	Low	70.8	Confident	87 Å²	87	63.3 Å²	63.3	72%	0.719	40%	0.402	S	S	*	.	H	α-helix	trans	-58.1	-34.4	-168.4	0	0	0	0	0	114	H551	A547-H551 VanDerWaalsContact O-CB 3.26Å; A547-H551 WeakPolarHBondContact O-CB 3.3Å; A547-H551 PolarHBondContact O-N 2.87Å
548	S	63.8	Low	69.5	Low	84 Å²	84	64.3 Å²	64.3	59%	0.587	41%	0.412	S	S	*	.	H	α-helix	trans	-69.9	-46.7	175.9	47.3	0	0	0	0	112.7	S546 H551 V552	S546-S548 VanDerWaalsContact C-N 3.26Å; S546-S548 PolarHBondContact O-N 2.69Å; S546-S548 VanDerWaalsContact O-N 3.13Å; S548-H551 PolarHBondContact O-N 3.15Å; S548-V552 WeakPolarHBondContact O-CG2 3.21Å; S548-V552 PolarHBondContact O-N 3.5Å
549	V	70.1	Confident	68.3	Low	48 Å²	48	65.9 Å²	65.9	29%	0.291	42%	0.42	S	S	.	.	H	α-helix	trans	-67.2	-41.5	178.2	177.6	0	0	0	0	110.7	L544 S546 H551 V552 L553	L544-V549 HydrophobicContact CD2-CG1 4.31Å; S546-V549 PolarHBondContact O-N 2.76Å; S546-V549 VanDerWaalsContact O-N 3.11Å; S546-V549 WeakPolarHBondContact OG-CB 3.21Å; S546-V549 VanDerWaalsContact OG-CG2 3.29Å; S546-V549 WeakPolarHBondContact OG-CG2 3.39Å; V549-H551 VanDerWaalsContact C-N 3.33Å; V549-H551 PolarHBondContact O-N 2.95Å; V549-V552 PolarHBondContact O-N 2.89Å; V549-L553 HydrophobicContact CG1-CD1 3.82Å; V549-L553 HydrophobicContact CG1-CG 4.3Å; V549-L553 WeakPolarHBondContact O-CB 3.32Å; V549-L553 WeakPolarHBondContact O-CG 3.29Å; V549-L553 PolarHBondContact O-N 2.95Å
550	A	68.5	Low	67	Low	22 Å²	22	67.1 Å²	67.1	18%	0.182	42%	0.418	C	S	.	.	H	α-helix	trans	-59.5	-41.3	173.6	0	0	0	0	0	112.2	Y511 S546 A554	Y511-A550 HydrophobicContact CE1-CB 4.3Å; Y511-A550 WeakPolarHBondContact OH-CB 3.38Å; S546-A550 WeakPolarHBondContact O-CB 3.37Å; S546-A550 PolarHBondContact O-N 2.8Å; A550-A554 WeakPolarHBondContact O-CB 3.36Å; A550-A554 PolarHBondContact O-N 2.89Å
551	H	64.2	Low	65.7	Low	141 Å²	141	72.4 Å²	72.4	65%	0.653	44%	0.435	S	S	*	.	H	α-helix	trans	-67.8	-44.7	177.3	-168.3	98.9	0	0	0	112.2	A547 S548 V549 A554 A555	A547-H551 VanDerWaalsContact O-CB 3.26Å; A547-H551 WeakPolarHBondContact O-CB 3.3Å; A547-H551 PolarHBondContact O-N 2.87Å; S548-H551 PolarHBondContact O-N 3.15Å; V549-H551 VanDerWaalsContact C-N 3.33Å; V549-H551 PolarHBondContact O-N 2.95Å; H551-A554 PolarHBondContact O-N 3.01Å; H551-A555 WeakPolarHBondContact O-CB 3.43Å; H551-A555 PolarHBondContact O-N 3.06Å
552	V	66.7	Low	64	Low	100 Å²	100	78 Å²	78	61%	0.606	46%	0.455	S	S	*	.	H	α-helix	trans	-63.8	-41.2	176.8	170.8	0	0	0	0	111.7	S548 V549 R556	S548-V552 WeakPolarHBondContact O-CG2 3.21Å; S548-V552 PolarHBondContact O-N 3.5Å; V549-V552 PolarHBondContact O-N 2.89Å; V552-R556 WeakPolarHBondContact O-CB 3.36Å; V552-R556 PolarHBondContact O-N 3.09Å
553	L	65.3	Low	62.5	Low	50 Å²	50	79.3 Å²	79.3	26%	0.262	45%	0.447	S	S	.	.	H	α-helix	trans	-69.3	-39.9	176	-70.5	174.4	0	0	0	112	Y511 L544 V549 R556 T557	Y511-L553 HydrophobicContact CD2-CB 4.24Å; Y511-L553 HydrophobicContact CD2-CD1 3.86Å; Y511-L553 HydrophobicContact CE2-CB 4.5Å; Y511-L553 HydrophobicContact CE2-CD1 3.74Å; L544-L553 HydrophobicContact CD2-CD1 4.07Å; V549-L553 HydrophobicContact CG1-CD1 3.82Å; V549-L553 HydrophobicContact CG1-CG 4.3Å; V549-L553 WeakPolarHBondContact O-CB 3.32Å; V549-L553 WeakPolarHBondContact O-CG 3.29Å; V549-L553 PolarHBondContact O-N 2.95Å; L553-R556 PolarHBondContact O-N 3.22Å; L553-T557 PolarHBondContact O-N 2.89Å; L553-T557 PolarHBondContact O-OG1 3.44Å
554	A	63.2	Low	60.6	Low	54 Å²	54	84.8 Å²	84.8	45%	0.446	46%	0.457	S	S	.	.	H	α-helix	trans	-63.1	-42	174.3	0	0	0	0	0	112	A550 H551 T557 A558	A550-A554 WeakPolarHBondContact O-CB 3.36Å; A550-A554 PolarHBondContact O-N 2.89Å; H551-A554 PolarHBondContact O-N 3.01Å; A554-T557 PolarHBondContact O-N 2.89Å; A554-A558 WeakPolarHBondContact O-CB 3.16Å; A554-A558 PolarHBondContact O-N 2.66Å
555	A	60.4	Low	58.7	Low	47 Å²	47	87.9 Å²	87.9	39%	0.388	48%	0.483	S	S	.	.	H	α-helix	trans	-61.2	-46.5	173.2	0	0	0	0	0	111.4	H551 T557 A558 V559	H551-A555 WeakPolarHBondContact O-CB 3.43Å; H551-A555 PolarHBondContact O-N 3.06Å; A555-T557 PolarHBondContact O-N 3.15Å; A555-A558 PolarHBondContact O-N 3.33Å; A555-V559 WeakPolarHBondContact O-CB 3.44Å; A555-V559 WeakPolarHBondContact O-CG2 3.46Å; A555-V559 PolarHBondContact O-N 3.46Å
556	R	62.7	Low	57.1	Low	132 Å²	132	94.3 Å²	94.3	50%	0.498	50%	0.497	S	S	.	.	H	α-helix	trans	-59.4	-45.8	175.2	-173.6	176.8	-175.6	-96.1	-0.4	112.1	V552 L553 V559 L560	V552-R556 WeakPolarHBondContact O-CB 3.36Å; V552-R556 PolarHBondContact O-N 3.09Å; L553-R556 PolarHBondContact O-N 3.22Å; R556-V559 PolarHBondContact O-N 3.06Å; R556-L560 HydrophobicContact CG-CD1 4.12Å; R556-L560 WeakPolarHBondContact O-CB 3.18Å; R556-L560 VanDerWaalsContact O-CG 3.27Å; R556-L560 WeakPolarHBondContact O-CG 3.39Å; R556-L560 PolarHBondContact O-N 3.3Å
557	T	56.2	Low	55.1	Low	46 Å²	46	99.2 Å²	99.2	28%	0.282	53%	0.525	S	S	.	.	H	α-helix	trans	-64.9	-39.9	177.2	-65.4	0	0	0	0	111.8	L553 A554 A555 L560 Q561	L553-T557 PolarHBondContact O-N 2.89Å; L553-T557 PolarHBondContact O-OG1 3.44Å; A554-T557 PolarHBondContact O-N 2.89Å; A555-T557 PolarHBondContact O-N 3.15Å; T557-L560 PolarHBondContact O-N 2.7Å; T557-Q561 HydrophobicContact CG2-CG 4.37Å; T557-Q561 WeakPolarHBondContact O-CB 3.13Å; T557-Q561 WeakPolarHBondContact O-CG 3.36Å; T557-Q561 PolarHBondContact O-N 3.47Å
558	A	55.2	Low	53.9	Low	40 Å²	40	99.6 Å²	99.6	33%	0.331	52%	0.522	S	S	.	.	H	α-helix	trans	-64.9	-42.1	175.6	0	0	0	0	0	112.2	A554 A555 Q561 R562	A554-A558 WeakPolarHBondContact O-CB 3.16Å; A554-A558 PolarHBondContact O-N 2.66Å; A555-A558 PolarHBondContact O-N 3.33Å; A558-Q561 PolarHBondContact O-N 2.94Å; A558-R562 WeakPolarHBondContact O-CB 3.44Å; A558-R562 VanDerWaalsContact O-CG 3.3Å; A558-R562 WeakPolarHBondContact O-CG 3.41Å; A558-R562 PolarHBondContact O-N 3.41Å
559	V	54.7	Low	53.4	Low	76 Å²	76	98.3 Å²	98.3	46%	0.461	52%	0.522	S	S	.	.	H	α-helix	trans	-62.3	-43.1	173.7	167.6	0	0	0	0	111.1	A555 R556 R562 R563	A555-V559 WeakPolarHBondContact O-CB 3.44Å; A555-V559 WeakPolarHBondContact O-CG2 3.46Å; A555-V559 PolarHBondContact O-N 3.46Å; R556-V559 PolarHBondContact O-N 3.06Å; V559-R562 PolarHBondContact O-N 2.94Å; V559-R563 PolarHBondContact O-N 2.82Å
560	L	50.4	Low	52.5	Low	84 Å²	84	98.8 Å²	98.8	44%	0.44	53%	0.526	S	S	.	.	H	α-helix	trans	-65	-41.1	176.4	-73.5	172.8	0	0	0	112.4	R556 T557 R563	R556-L560 HydrophobicContact CG-CD1 4.12Å; R556-L560 WeakPolarHBondContact O-CB 3.18Å; R556-L560 VanDerWaalsContact O-CG 3.27Å; R556-L560 WeakPolarHBondContact O-CG 3.39Å; R556-L560 PolarHBondContact O-N 3.3Å; T557-L560 PolarHBondContact O-N 2.7Å; L560-R563 PolarHBondContact O-N 2.83Å
561	Q	48.3	Very low	51.9	Low	154 Å²	154	106 Å²	106	72%	0.72	56%	0.561	S	S	*	*	H	α-helix	trans	-72	-25.7	176.9	-74.6	179.1	-17.4	0	0	113.6	T557 A558	T557-Q561 HydrophobicContact CG2-CG 4.37Å; T557-Q561 WeakPolarHBondContact O-CB 3.13Å; T557-Q561 WeakPolarHBondContact O-CG 3.36Å; T557-Q561 PolarHBondContact O-N 3.47Å; A558-Q561 PolarHBondContact O-N 2.94Å
562	R	47.2	Very low	51.6	Low	161 Å²	161	102.6 Å²	102.6	61%	0.608	55%	0.545	S	S	*	.	H	α-helix	trans	-80.7	-17.4	174.6	-75.3	-178.9	-175.9	-167.3	4.7	113.6	A558 V559 R564 E768	A558-R562 WeakPolarHBondContact O-CB 3.44Å; A558-R562 VanDerWaalsContact O-CG 3.3Å; A558-R562 WeakPolarHBondContact O-CG 3.41Å; A558-R562 PolarHBondContact O-N 3.41Å; V559-R562 PolarHBondContact O-N 2.94Å; R562-R564 PolarHBondContact O-N 2.77Å; R562-E768 IonicContact CZ-OE2 3.71Å; R562-E768 IonicContact NH1-OE1 2.69Å; R562-E768 PolarHBondContact NH1-OE1 3.41Å; R562-E768 IonicContact NH1-OE2 3.41Å; R562-E768 PolarHBondContact NH1-OE2 2.66Å
563	R	45.3	Very low	51.7	Low	110 Å²	110	103.5 Å²	103.5	42%	0.415	54%	0.542	S	S	.	.	S	Bend	trans	-69.5	121	171.3	-73.9	179.8	-176.1	-126.9	11	109.1	V559 L560 N712	V559-R563 PolarHBondContact O-N 2.82Å; L560-R563 PolarHBondContact O-N 2.83Å; R563-N712 PolarHBondContact NH1-ND2 2.86Å
564	R	37.1	Very low	52.2	Low	209 Å²	209	103.2 Å²	103.2	79%	0.789	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-53.5	145.9	161.6	-68.9	-173.5	-172.7	177.1	7.2	108.4	R562 R566 E736	R562-R564 PolarHBondContact O-N 2.77Å; R564-R566 PolarHBondContact O-N 3.35Å; R564-E736 IonicContact NH2-OE1 2.66Å
565	S	34.4	Very low	53.1	Low	112 Å²	112	101.8 Å²	101.8	78%	0.783	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-47.8	127.9	170.7	52.2	0	0	0	0	110	V567	S565-V567 PolarHBondContact O-N 2.77Å
566	R	37.9	Very low	54.2	Low	185 Å²	185	100.8 Å²	100.8	70%	0.698	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-50.1	132.1	162.9	-76.8	179.4	172.4	173.4	-5.3	107.1	R564 S568 N712	R564-R566 PolarHBondContact O-N 3.35Å; R566-S568 PolarHBondContact O-N 3.21Å; R566-N712 PolarHBondContact NH2-OD1 2.55Å
567	V	37.1	Very low	55.1	Low	142 Å²	142	95.5 Å²	95.5	86%	0.861	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-56.2	126.1	165	-179.8	0	0	0	0	106.1	S565 G569	S565-V567 PolarHBondContact O-N 2.77Å; V567-G569 PolarHBondContact O-N 2.89Å
568	S	43.8	Very low	56.4	Low	94 Å²	94	96.8 Å²	96.8	66%	0.657	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-53.4	141.9	176.4	-66.8	0	0	0	0	109.6	R566	R566-S568 PolarHBondContact O-N 3.21Å
569	G	52.5	Low	58	Low	57 Å²	57	95.5 Å²	95.5	59%	0.588	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-51.1	147.9	169.5	0	0	0	0	0	110.3	V567 L571	V567-G569 PolarHBondContact O-N 2.89Å; G569-L571 PolarHBondContact O-N 3.26Å; G569-L571 VanDerWaalsContact O-N 3.12Å
570	P	50.9	Low	59.4	Low	58 Å²	58	97.7 Å²	97.7	38%	0.377	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-53.9	122.4	-171.7	20.6	-31.7	0	0	0	110.2	H572 A617	P570-H572 PolarHBondContact O-N 3.12Å; P570-A617 HydrophobicContact CB-CB 4.18Å; P570-A617 HydrophobicContact CG-CB 3.6Å
571	L	56.1	Low	61.1	Low	174 Å²	174	97.9 Å²	97.9	91%	0.911	50%	0.503	S	S	*	.	S	Bend	trans	-60.4	-12.9	-173.4	-68	170.8	0	0	0	113.5	G569	G569-L571 PolarHBondContact O-N 3.26Å; G569-L571 VanDerWaalsContact O-N 3.12Å
572	H	58.8	Low	62.8	Low	69 Å²	69	94.2 Å²	94.2	32%	0.319	49%	0.487	S	S	.	.			trans	-149.9	146.3	173.6	-162.4	-115.3	0	0	0	109.6	P570 S574 L578 H613	P570-H572 PolarHBondContact O-N 3.12Å; H572-S574 PolarHBondContact CE1-O 2.84Å; H572-S574 PolarHBondContact ND1-N 2.68Å; H572-S574 PolarHBondContact ND1-O 3.46Å; H572-S574 VanDerWaalsContact ND1-O 3.15Å; H572-L578 HydrophobicContact CB-CD1 4.2Å; H572-L578 VanDerWaalsContact ND1-CD1 3.32Å; H572-L578 WeakPolarHBondContact ND1-CD1 3.39Å; H572-H613 PolarHBondContact O-CE1 3.25Å
573	H	68.2	Low	64.5	Low	119 Å²	119	88 Å²	88	55%	0.551	47%	0.467	S	S	*	.	S	Bend	trans	-103.5	9	-177.4	61.6	73.1	0	0	0	113.6	A617 N618	H573-A617 HydrophobicContact CB-CB 4.41Å; H573-N618 PolarHBondContact O-ND2 3.43Å
574	S	76.3	Confident	66.5	Low	45 Å²	45	88.9 Å²	88.9	32%	0.315	48%	0.476	S	S	.	.			trans	-150.4	57	-175	178.7	0	0	0	0	110.8	H572 L576 G577 L578 D614	H572-S574 PolarHBondContact CE1-O 2.84Å; H572-S574 PolarHBondContact ND1-N 2.68Å; H572-S574 PolarHBondContact ND1-O 3.46Å; H572-S574 VanDerWaalsContact ND1-O 3.15Å; S574-L576 PolarHBondContact O-N 3.02Å; S574-G577 WeakPolarHBondContact O-CA 3.4Å; S574-G577 PolarHBondContact O-N 2.91Å; S574-L578 PolarHBondContact O-N 3.27Å; S574-D614 VanDerWaalsContact C-OD2 3.3Å; S574-D614 WeakPolarHBondContact CA-OD2 3.39Å
575	S	81.4	Confident	68.7	Low	23 Å²	23	84.4 Å²	84.4	16%	0.161	47%	0.467	C	S	.	.	H	α-helix	trans	-63	-24.7	178.4	-61.4	0	0	0	0	113.1	G577 Q579 H613 D614	S575-G577 VanDerWaalsContact C-N 3.33Å; S575-Q579 VanDerWaalsContact O-CB 3.31Å; S575-Q579 WeakPolarHBondContact O-CB 3.47Å; S575-Q579 PolarHBondContact O-N 2.95Å; S575-H613 PolarHBondContact OG-CE1 2.85Å; S575-H613 PolarHBondContact OG-ND1 2.9Å; S575-D614 VanDerWaalsContact CB-OD1 3.3Å; S575-D614 WeakPolarHBondContact CB-OD1 3.29Å; S575-D614 PolarHBondContact N-OD1 2.77Å; S575-D614 PolarHBondContact N-OD2 3.35Å
576	L	83.1	Confident	70.9	Confident	27 Å²	27	80.7 Å²	80.7	14%	0.141	44%	0.438	C	S	.	.	H	α-helix	trans	-68.4	-28.5	167.9	-72.1	166.8	0	0	0	113.7	S574 K580 E607 L610 L611 D614	S574-L576 PolarHBondContact O-N 3.02Å; L576-K580 WeakPolarHBondContact O-CG 3.49Å; L576-K580 PolarHBondContact O-N 3.47Å; L576-E607 HydrophobicContact CD2-CG 4.42Å; L576-L610 HydrophobicContact CD2-CB 3.56Å; L576-L610 HydrophobicContact CG-CB 3.93Å; L576-L611 HydrophobicContact CD1-CB 4.41Å; L576-L611 HydrophobicContact CD1-CD2 3.56Å; L576-L611 HydrophobicContact CD1-CG 3.76Å; L576-L611 HydrophobicContact CD2-CG 4.26Å; L576-D614 WeakPolarHBondContact CB-OD2 3.48Å; L576-D614 WeakPolarHBondContact CG-OD2 3.35Å; L576-D614 PolarHBondContact N-OD2 2.96Å
577	G	82.8	Confident	72.5	Confident	21 Å²	21	76.8 Å²	76.8	22%	0.216	44%	0.435	C	S	.	.	H	α-helix	trans	-65.6	-56.4	171.4	0	0	0	0	0	109.4	S574 S575 Q579 K580 D581	S574-G577 WeakPolarHBondContact O-CA 3.4Å; S574-G577 PolarHBondContact O-N 2.91Å; S575-G577 VanDerWaalsContact C-N 3.33Å; G577-Q579 VanDerWaalsContact C-N 3.3Å; G577-Q579 PolarHBondContact O-N 3.03Å; G577-K580 PolarHBondContact O-N 3.07Å; G577-D581 VanDerWaalsContact O-CG 3.29Å; G577-D581 PolarHBondContact O-N 2.91Å
578	L	83.3	Confident	74.4	Confident	72 Å²	72	77 Å²	77	38%	0.377	43%	0.427	S	S	.	.	H	α-helix	trans	-56.4	-40.5	176.3	-66.9	176.6	0	0	0	112.8	H572 S574 K580 D581 I582	H572-L578 HydrophobicContact CB-CD1 4.2Å; H572-L578 VanDerWaalsContact ND1-CD1 3.32Å; H572-L578 WeakPolarHBondContact ND1-CD1 3.39Å; S574-L578 PolarHBondContact O-N 3.27Å; L578-K580 VanDerWaalsContact C-N 3.29Å; L578-K580 PolarHBondContact O-N 2.95Å; L578-D581 PolarHBondContact O-N 2.82Å; L578-I582 HydrophobicContact CB-CD1 4.38Å; L578-I582 WeakPolarHBondContact O-CB 3.41Å; L578-I582 WeakPolarHBondContact O-CD1 3.37Å; L578-I582 WeakPolarHBondContact O-CG1 3.47Å; L578-I582 PolarHBondContact O-N 3.12Å
579	Q	88.4	Confident	75.7	Confident	14 Å²	14	74.7 Å²	74.7	7%	0.065	41%	0.41	C	S	.	.	H	α-helix	trans	-57.1	-42.2	174.9	175.7	-128.9	20.4	0	0	111.7	S575 G577 V583 L601 L610	S575-Q579 VanDerWaalsContact O-CB 3.31Å; S575-Q579 WeakPolarHBondContact O-CB 3.47Å; S575-Q579 PolarHBondContact O-N 2.95Å; G577-Q579 VanDerWaalsContact C-N 3.3Å; G577-Q579 PolarHBondContact O-N 3.03Å; Q579-V583 WeakPolarHBondContact O-CB 3.49Å; Q579-V583 WeakPolarHBondContact O-CG2 3.35Å; Q579-V583 PolarHBondContact O-N 2.8Å; Q579-L601 HydrophobicContact CG-CB 4.41Å; Q579-L601 PolarHBondContact NE2-O 3.26Å; Q579-L610 HydrophobicContact CB-CD1 3.8Å; Q579-L610 HydrophobicContact CG-CD1 3.65Å
580	K	84.9	Confident	77	Confident	121 Å²	121	79.6 Å²	79.6	53%	0.526	42%	0.423	S	S	.	.	H	α-helix	trans	-71.9	-45.3	178.5	-72.3	168	-175.1	171.4	0	111.9	L576 G577 L578 I582 V583 E584	L576-K580 WeakPolarHBondContact O-CG 3.49Å; L576-K580 PolarHBondContact O-N 3.47Å; G577-K580 PolarHBondContact O-N 3.07Å; L578-K580 VanDerWaalsContact C-N 3.29Å; L578-K580 PolarHBondContact O-N 2.95Å; K580-I582 VanDerWaalsContact C-N 3.32Å; K580-I582 PolarHBondContact O-N 3.44Å; K580-V583 PolarHBondContact O-N 2.82Å; K580-E584 WeakPolarHBondContact O-CB 3.24Å; K580-E584 PolarHBondContact O-N 2.94Å
581	D	86.3	Confident	78.7	Confident	89 Å²	89	80.8 Å²	80.8	48%	0.476	43%	0.429	S	S	.	.	H	α-helix	trans	-61.4	-41.8	177.7	-57.5	-21.9	0	0	0	111.1	G577 L578 E584 L585	G577-D581 VanDerWaalsContact O-CG 3.29Å; G577-D581 PolarHBondContact O-N 2.91Å; L578-D581 PolarHBondContact O-N 2.82Å; D581-E584 PolarHBondContact O-N 2.84Å; D581-L585 WeakPolarHBondContact O-CB 3.41Å; D581-L585 VanDerWaalsContact O-CG 3.29Å; D581-L585 WeakPolarHBondContact O-CG 3.36Å; D581-L585 PolarHBondContact O-N 2.96Å
582	I	82.8	Confident	79.7	Confident	76 Å²	76	75.8 Å²	75.8	39%	0.39	41%	0.413	S	S	.	.	H	α-helix	trans	-66.2	-44	175.2	-70.2	165.5	0	0	0	110.7	L578 K580 L585 L586 L601	L578-I582 HydrophobicContact CB-CD1 4.38Å; L578-I582 WeakPolarHBondContact O-CB 3.41Å; L578-I582 WeakPolarHBondContact O-CD1 3.37Å; L578-I582 WeakPolarHBondContact O-CG1 3.47Å; L578-I582 PolarHBondContact O-N 3.12Å; K580-I582 VanDerWaalsContact C-N 3.32Å; K580-I582 PolarHBondContact O-N 3.44Å; I582-L585 PolarHBondContact O-N 3.2Å; I582-L586 HydrophobicContact CG2-CD1 3.76Å; I582-L586 HydrophobicContact CG2-CG 4.23Å; I582-L586 WeakPolarHBondContact O-CB 3.03Å; I582-L586 WeakPolarHBondContact O-CG 3.31Å; I582-L586 PolarHBondContact O-N 2.81Å; I582-L601 HydrophobicContact CG2-CD1 3.74Å
583	V	84.1	Confident	80.5	Confident	31 Å²	31	75.7 Å²	75.7	19%	0.188	42%	0.424	C	S	.	.	H	α-helix	trans	-63.2	-42.2	176.1	166.9	0	0	0	0	110.9	Q579 K580 L585 L586 T587 L601 T602	Q579-V583 WeakPolarHBondContact O-CB 3.49Å; Q579-V583 WeakPolarHBondContact O-CG2 3.35Å; Q579-V583 PolarHBondContact O-N 2.8Å; K580-V583 PolarHBondContact O-N 2.82Å; V583-L585 PolarHBondContact O-N 3.14Å; V583-L586 PolarHBondContact O-N 2.97Å; V583-L586 VanDerWaalsContact O-N 3.15Å; V583-T587 WeakPolarHBondContact O-CG2 3.39Å; V583-T587 PolarHBondContact O-N 3.28Å; V583-L601 HydrophobicContact CG2-CB 3.9Å; V583-L601 HydrophobicContact CG2-CD1 4.27Å; V583-T602 HydrophobicContact CG1-CG2 4.05Å; V583-T602 HydrophobicContact CG2-CG2 3.99Å
584	E	85.9	Confident	81	Confident	128 Å²	128	70.5 Å²	70.5	60%	0.598	40%	0.402	S	S	*	.	H	α-helix	trans	-63	-40.5	176.6	-172.6	165.1	-172.7	0	0	111.9	K580 D581 T587 Q588	K580-E584 WeakPolarHBondContact O-CB 3.24Å; K580-E584 PolarHBondContact O-N 2.94Å; D581-E584 PolarHBondContact O-N 2.84Å; E584-T587 PolarHBondContact O-N 3.22Å; E584-T587 PolarHBondContact O-OG1 3.2Å; E584-Q588 PolarHBondContact O-NE2 2.85Å
585	L	82.9	Confident	81.1	Confident	116 Å²	116	72.7 Å²	72.7	61%	0.607	41%	0.409	S	S	*	.	H	α-helix	trans	-64.7	-40	170.8	-72	167.3	0	0	0	112.6	D581 I582 V583 T587 Q588	D581-L585 WeakPolarHBondContact O-CB 3.41Å; D581-L585 VanDerWaalsContact O-CG 3.29Å; D581-L585 WeakPolarHBondContact O-CG 3.36Å; D581-L585 PolarHBondContact O-N 2.96Å; I582-L585 PolarHBondContact O-N 3.2Å; V583-L585 PolarHBondContact O-N 3.14Å; L585-T587 VanDerWaalsContact C-N 3.35Å; L585-T587 PolarHBondContact O-N 3.15Å; L585-Q588 WeakPolarHBondContact O-CB 3.32Å; L585-Q588 PolarHBondContact O-N 3.27Å
586	L	80.7	Confident	81.1	Confident	34 Å²	34	78.3 Å²	78.3	18%	0.178	43%	0.433	C	S	.	.	H	α-helix	trans	-67	-32.2	177.9	-71.8	169.4	0	0	0	112.4	I582 V583 Q588 S589 A594 L597 L601	I582-L586 HydrophobicContact CG2-CD1 3.76Å; I582-L586 HydrophobicContact CG2-CG 4.23Å; I582-L586 WeakPolarHBondContact O-CB 3.03Å; I582-L586 WeakPolarHBondContact O-CG 3.31Å; I582-L586 PolarHBondContact O-N 2.81Å; V583-L586 PolarHBondContact O-N 2.97Å; V583-L586 VanDerWaalsContact O-N 3.15Å; L586-Q588 PolarHBondContact O-N 3.24Å; L586-Q588 VanDerWaalsContact O-N 3.09Å; L586-S589 PolarHBondContact O-N 2.76Å; L586-A594 HydrophobicContact CD2-CB 3.73Å; L586-L597 HydrophobicContact CD1-CB 4.26Å; L586-L597 HydrophobicContact CD1-CD2 3.92Å; L586-L597 HydrophobicContact CD1-CG 3.88Å; L586-L597 HydrophobicContact CD2-CD2 4.29Å; L586-L601 HydrophobicContact CD1-CD1 4.08Å
587	T	72.6	Confident	81.1	Confident	103 Å²	103	80.8 Å²	80.8	63%	0.632	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.4	174.3	63.9	0	0	0	0	114	V583 E584 L585 S589	V583-T587 WeakPolarHBondContact O-CG2 3.39Å; V583-T587 PolarHBondContact O-N 3.28Å; E584-T587 PolarHBondContact O-N 3.22Å; E584-T587 PolarHBondContact O-OG1 3.2Å; L585-T587 VanDerWaalsContact C-N 3.35Å; L585-T587 PolarHBondContact O-N 3.15Å; T587-S589 VanDerWaalsContact C-N 3.34Å
588	Q	76	Confident	80.9	Confident	147 Å²	147	80.3 Å²	80.3	69%	0.687	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-4.4	175.9	-56.7	175.2	44.9	0	0	112.5	E584 L585 L586	E584-Q588 PolarHBondContact O-NE2 2.85Å; L585-Q588 WeakPolarHBondContact O-CB 3.32Å; L585-Q588 PolarHBondContact O-N 3.27Å; L586-Q588 PolarHBondContact O-N 3.24Å; L586-Q588 VanDerWaalsContact O-N 3.09Å
589	S	72.9	Confident	80.9	Confident	45 Å²	45	82 Å²	82	32%	0.315	45%	0.45	S	S	.	.			trans	-119.3	105.1	-176.1	-174.8	0	0	0	0	112.3	L586 T587 T591	L586-S589 PolarHBondContact O-N 2.76Å; T587-S589 VanDerWaalsContact C-N 3.34Å; S589-T591 PolarHBondContact O-N 2.92Å; S589-T591 PolarHBondContact OG-OG1 2.69Å
590	N	78.2	Confident	80.8	Confident	160 Å²	160	86.1 Å²	86.1	86%	0.856	47%	0.472	S	S	*	.			trans	-74.8	28.7	177.8	-73.2	-29.8	0	0	0	114.3
591	T	86.8	Confident	80.6	Confident	83 Å²	83	81.9 Å²	81.9	51%	0.509	46%	0.455	S	S	.	.			trans	-87.1	136.3	178.7	-35.9	0	0	0	0	109.7	S589 A593 A594 I595	S589-T591 PolarHBondContact O-N 2.92Å; S589-T591 PolarHBondContact OG-OG1 2.69Å; T591-A593 VanDerWaalsContact C-N 3.3Å; T591-A593 PolarHBondContact O-N 2.65Å; T591-A594 WeakPolarHBondContact O-CA 3.49Å; T591-A594 WeakPolarHBondContact O-CB 3.33Å; T591-A594 PolarHBondContact O-N 2.9Å; T591-I595 PolarHBondContact O-N 3.03Å; T591-I595 VanDerWaalsContact O-N 3.16Å
592	A	76.8	Confident	80.4	Confident	69 Å²	69	81 Å²	81	57%	0.57	45%	0.453	S	S	*	.	H	α-helix	trans	-53	-44.5	-177.2	0	0	0	0	0	113.3	A594 I595 E596	A592-A594 VanDerWaalsContact C-N 3.29Å; A592-A594 PolarHBondContact O-N 3.43Å; A592-I595 PolarHBondContact O-N 3.47Å; A592-E596 PolarHBondContact O-N 3.35Å
593	A	76.1	Confident	80.6	Confident	66 Å²	66	79 Å²	79	55%	0.545	45%	0.446	S	S	.	.	H	α-helix	trans	-64	-28.8	176.5	0	0	0	0	0	113.9	T591 L597	T591-A593 VanDerWaalsContact C-N 3.3Å; T591-A593 PolarHBondContact O-N 2.65Å; A593-L597 VanDerWaalsContact O-CB 3.26Å; A593-L597 WeakPolarHBondContact O-CB 3.23Å; A593-L597 PolarHBondContact O-N 3.03Å
594	A	78.7	Confident	80.3	Confident	10 Å²	10	85.2 Å²	85.2	8%	0.083	47%	0.473	C	S	.	.	H	α-helix	trans	-72.6	-36.5	175.3	0	0	0	0	0	111.4	L586 T591 A592 G598	L586-A594 HydrophobicContact CD2-CB 3.73Å; T591-A594 WeakPolarHBondContact O-CA 3.49Å; T591-A594 WeakPolarHBondContact O-CB 3.33Å; T591-A594 PolarHBondContact O-N 2.9Å; A592-A594 VanDerWaalsContact C-N 3.29Å; A592-A594 PolarHBondContact O-N 3.43Å; A594-G598 PolarHBondContact O-N 3.06Å
595	I	77.8	Confident	80	Confident	91 Å²	91	87.4 Å²	87.4	47%	0.467	48%	0.483	S	S	.	.	H	α-helix	trans	-69.5	-43.3	175.6	-61.1	169.1	0	0	0	110.5	T591 A592 G598 N599	T591-I595 PolarHBondContact O-N 3.03Å; T591-I595 VanDerWaalsContact O-N 3.16Å; A592-I595 PolarHBondContact O-N 3.47Å; I595-G598 PolarHBondContact O-N 3.19Å; I595-N599 WeakPolarHBondContact O-CB 3.47Å; I595-N599 VanDerWaalsContact O-CG 3.22Å; I595-N599 PolarHBondContact O-N 3.01Å; I595-N599 PolarHBondContact O-ND2 2.85Å
596	E	83	Confident	80	Confident	141 Å²	141	84.7 Å²	84.7	66%	0.659	47%	0.468	S	S	*	.	H	α-helix	trans	-62.7	-44.9	174.7	-72.3	179	171.5	0	0	112.1	A592 N599 L600	A592-E596 PolarHBondContact O-N 3.35Å; E596-N599 PolarHBondContact O-N 2.83Å; E596-L600 WeakPolarHBondContact O-CB 3.4Å; E596-L600 PolarHBondContact O-N 2.72Å
597	L	81.8	Confident	80	Confident	80 Å²	80	86.5 Å²	86.5	42%	0.419	48%	0.475	S	S	.	.	H	α-helix	trans	-63.7	-41.4	175.7	-178.2	59.9	0	0	0	112.1	L586 A593 L600 L601	L586-L597 HydrophobicContact CD1-CB 4.26Å; L586-L597 HydrophobicContact CD1-CD2 3.92Å; L586-L597 HydrophobicContact CD1-CG 3.88Å; L586-L597 HydrophobicContact CD2-CD2 4.29Å; A593-L597 VanDerWaalsContact O-CB 3.26Å; A593-L597 WeakPolarHBondContact O-CB 3.23Å; A593-L597 PolarHBondContact O-N 3.03Å; L597-L600 PolarHBondContact O-N 3.5Å; L597-L601 HydrophobicContact CD1-CD1 4.13Å; L597-L601 HydrophobicContact CD1-CG 4.17Å; L597-L601 HydrophobicContact CG-CD1 3.99Å; L597-L601 HydrophobicContact CG-CG 4.45Å; L597-L601 WeakPolarHBondContact O-CB 3.39Å; L597-L601 WeakPolarHBondContact O-CG 3.41Å; L597-L601 PolarHBondContact O-N 2.83Å
598	G	79.8	Confident	80.2	Confident	11 Å²	11	83.3 Å²	83.3	11%	0.113	46%	0.463	C	S	.	.	H	α-helix	trans	-62	-44.5	175.4	0	0	0	0	0	112.5	A594 I595 L600 L601 T602	A594-G598 PolarHBondContact O-N 3.06Å; I595-G598 PolarHBondContact O-N 3.19Å; G598-L600 VanDerWaalsContact C-N 3.35Å; G598-L600 PolarHBondContact O-N 3.03Å; G598-L601 PolarHBondContact O-N 3.44Å; G598-T602 WeakPolarHBondContact O-CB 3.47Å; G598-T602 WeakPolarHBondContact O-CG2 3.32Å; G598-T602 PolarHBondContact O-N 2.75Å; G598-T602 PolarHBondContact O-OG1 3.15Å
599	N	82.4	Confident	80.4	Confident	107 Å²	107	81.7 Å²	81.7	57%	0.572	46%	0.458	S	S	*	.	H	α-helix	trans	-62	-40.7	175.1	-72.1	-29.2	0	0	0	112	I595 E596 T602 S603	I595-N599 WeakPolarHBondContact O-CB 3.47Å; I595-N599 VanDerWaalsContact O-CG 3.22Å; I595-N599 PolarHBondContact O-N 3.01Å; I595-N599 PolarHBondContact O-ND2 2.85Å; E596-N599 PolarHBondContact O-N 2.83Å; N599-T602 WeakPolarHBondContact CA-OG1 3.38Å; N599-T602 PolarHBondContact O-N 3.39Å; N599-T602 PolarHBondContact O-OG1 3.08Å; N599-S603 PolarHBondContact O-N 3.33Å
600	L	85.6	Confident	81	Confident	101 Å²	101	80.7 Å²	80.7	53%	0.529	45%	0.449	S	S	.	.	H	α-helix	trans	-67.1	-45.1	178.1	-175.3	66.1	0	0	0	111.8	E596 L597 G598 T602 S603	E596-L600 WeakPolarHBondContact O-CB 3.4Å; E596-L600 PolarHBondContact O-N 2.72Å; L597-L600 PolarHBondContact O-N 3.5Å; G598-L600 VanDerWaalsContact C-N 3.35Å; G598-L600 PolarHBondContact O-N 3.03Å; L600-T602 VanDerWaalsContact C-N 3.29Å; L600-T602 PolarHBondContact O-N 2.65Å; L600-S603 WeakPolarHBondContact O-CB 3.16Å; L600-S603 PolarHBondContact O-N 2.96Å; L600-S603 PolarHBondContact O-OG 2.79Å
601	L	81.3	Confident	81.1	Confident	32 Å²	32	76.4 Å²	76.4	17%	0.168	43%	0.426	C	S	.	.	H	α-helix	trans	-65.1	-30.7	177.7	-72.9	172.6	0	0	0	113	Q579 I582 V583 L586 L597 G598 S603 M606	Q579-L601 HydrophobicContact CG-CB 4.41Å; Q579-L601 PolarHBondContact NE2-O 3.26Å; I582-L601 HydrophobicContact CG2-CD1 3.74Å; V583-L601 HydrophobicContact CG2-CB 3.9Å; V583-L601 HydrophobicContact CG2-CD1 4.27Å; L586-L601 HydrophobicContact CD1-CD1 4.08Å; L597-L601 HydrophobicContact CD1-CD1 4.13Å; L597-L601 HydrophobicContact CD1-CG 4.17Å; L597-L601 HydrophobicContact CG-CD1 3.99Å; L597-L601 HydrophobicContact CG-CG 4.45Å; L597-L601 WeakPolarHBondContact O-CB 3.39Å; L597-L601 WeakPolarHBondContact O-CG 3.41Å; L597-L601 PolarHBondContact O-N 2.83Å; G598-L601 PolarHBondContact O-N 3.44Å; L601-S603 VanDerWaalsContact C-N 3.35Å; L601-M606 HydrophobicContact CD2-CG 4.48Å
602	T	83	Confident	80.6	Confident	69 Å²	69	74.7 Å²	74.7	42%	0.423	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	3.8	176.3	54.7	0	0	0	0	114	V583 G598 N599 L600	V583-T602 HydrophobicContact CG1-CG2 4.05Å; V583-T602 HydrophobicContact CG2-CG2 3.99Å; G598-T602 WeakPolarHBondContact O-CB 3.47Å; G598-T602 WeakPolarHBondContact O-CG2 3.32Å; G598-T602 PolarHBondContact O-N 2.75Å; G598-T602 PolarHBondContact O-OG1 3.15Å; N599-T602 WeakPolarHBondContact CA-OG1 3.38Å; N599-T602 PolarHBondContact O-N 3.39Å; N599-T602 PolarHBondContact O-OG1 3.08Å; L600-T602 VanDerWaalsContact C-N 3.29Å; L600-T602 PolarHBondContact O-N 2.65Å
603	S	87.1	Confident	80.9	Confident	36 Å²	36	74.5 Å²	74.5	25%	0.252	41%	0.407	S	S	.	.	S	Bend	trans	-68.9	142.3	174.6	70	0	0	0	0	111.8	N599 L600 L601 E605 M606 E607	N599-S603 PolarHBondContact O-N 3.33Å; L600-S603 WeakPolarHBondContact O-CB 3.16Å; L600-S603 PolarHBondContact O-N 2.96Å; L600-S603 PolarHBondContact O-OG 2.79Å; L601-S603 VanDerWaalsContact C-N 3.35Å; S603-E605 PolarHBondContact O-N 3.44Å; S603-M606 PolarHBondContact O-N 3.32Å; S603-M606 VanDerWaalsContact O-N 3.12Å; S603-M606 VanDerWaalsContact OG-CB 3.3Å; S603-M606 WeakPolarHBondContact OG-CB 3.38Å; S603-M606 PolarHBondContact OG-N 2.95Å; S603-E607 PolarHBondContact O-N 2.69Å
604	H	77.1	Confident	81.2	Confident	161 Å²	161	72 Å²	72	75%	0.745	39%	0.385	S	S	*	.	H	α-helix	trans	-63.2	-26.2	-178	-61.8	-40.9	0	0	0	113.8	E607 G608	H604-E607 IonicContact ND1-OE2 3.8Å; H604-G608 PolarHBondContact O-N 2.95Å
605	E	79.1	Confident	81.1	Confident	173 Å²	173	79.6 Å²	79.6	81%	0.808	41%	0.411	S	S	*	.	H	α-helix	trans	-69.9	-44.2	174.2	-64.1	178.8	172.6	0	0	110.9	S603 G608 L609	S603-E605 PolarHBondContact O-N 3.44Å; E605-G608 PolarHBondContact O-N 3.38Å; E605-L609 WeakPolarHBondContact O-CB 3.25Å; E605-L609 PolarHBondContact O-N 2.9Å
606	M	83	Confident	80.6	Confident	59 Å²	59	80.7 Å²	80.7	29%	0.291	42%	0.417	S	S	.	.	H	α-helix	trans	-68.3	-44.5	175.7	-170	61.8	64.6	0	0	111.8	L601 S603 G608 L609 L610	L601-M606 HydrophobicContact CD2-CG 4.48Å; S603-M606 PolarHBondContact O-N 3.32Å; S603-M606 VanDerWaalsContact O-N 3.12Å; S603-M606 VanDerWaalsContact OG-CB 3.3Å; S603-M606 WeakPolarHBondContact OG-CB 3.38Å; S603-M606 PolarHBondContact OG-N 2.95Å; M606-G608 VanDerWaalsContact C-N 3.32Å; M606-G608 PolarHBondContact O-N 2.93Å; M606-L609 PolarHBondContact O-N 3.38Å; M606-L610 HydrophobicContact CG-CD1 3.94Å; M606-L610 HydrophobicContact CG-CG 4.45Å; M606-L610 WeakPolarHBondContact O-CB 3.39Å; M606-L610 VanDerWaalsContact O-CG 3.24Å; M606-L610 WeakPolarHBondContact O-CG 3.39Å; M606-L610 PolarHBondContact O-N 2.85Å; M606-L610 HydrophobicContact SD-CD1 4.49Å; M606-L610 HydrophobicContact SD-CG 4.5Å
607	E	81.4	Confident	80	Confident	72 Å²	72	74.2 Å²	74.2	34%	0.336	39%	0.387	S	S	.	.	H	α-helix	trans	-60	-41.7	175.7	-173.3	177.8	-154.9	0	0	111.5	L576 S603 H604 L611	L576-E607 HydrophobicContact CD2-CG 4.42Å; S603-E607 PolarHBondContact O-N 2.69Å; H604-E607 IonicContact ND1-OE2 3.8Å; E607-L611 HydrophobicContact CG-CD1 4.31Å; E607-L611 WeakPolarHBondContact O-CB 3.12Å; E607-L611 WeakPolarHBondContact O-CG 3.38Å; E607-L611 PolarHBondContact O-N 2.73Å
608	G	76.3	Confident	79.3	Confident	36 Å²	36	75.6 Å²	75.6	37%	0.371	40%	0.395	S	S	.	.	H	α-helix	trans	-63.8	-40	174.4	0	0	0	0	0	113.6	H604 E605 M606 L611 A612	H604-G608 PolarHBondContact O-N 2.95Å; E605-G608 PolarHBondContact O-N 3.38Å; M606-G608 VanDerWaalsContact C-N 3.32Å; M606-G608 PolarHBondContact O-N 2.93Å; G608-L611 WeakPolarHBondContact O-CB 3.39Å; G608-L611 PolarHBondContact O-N 2.7Å; G608-A612 PolarHBondContact O-N 3.35Å
609	L	81.4	Confident	78.2	Confident	113 Å²	113	82.9 Å²	82.9	59%	0.592	43%	0.426	S	S	*	.	H	α-helix	trans	-70.2	-38.9	178	-171.6	147.3	0	0	0	112	E605 M606 A612 H613	E605-L609 WeakPolarHBondContact O-CB 3.25Å; E605-L609 PolarHBondContact O-N 2.9Å; M606-L609 PolarHBondContact O-N 3.38Å; L609-A612 PolarHBondContact O-N 3.06Å; L609-H613 PolarHBondContact O-N 2.69Å
610	L	84.6	Confident	76.8	Confident	25 Å²	25	82.2 Å²	82.2	13%	0.131	43%	0.426	C	S	.	.	H	α-helix	trans	-68.6	-36.7	173.7	-65.6	166.7	0	0	0	111.8	L576 Q579 M606 A612 H613 D614	L576-L610 HydrophobicContact CD2-CB 3.56Å; L576-L610 HydrophobicContact CG-CB 3.93Å; Q579-L610 HydrophobicContact CB-CD1 3.8Å; Q579-L610 HydrophobicContact CG-CD1 3.65Å; M606-L610 HydrophobicContact CG-CD1 3.94Å; M606-L610 HydrophobicContact CG-CG 4.45Å; M606-L610 WeakPolarHBondContact O-CB 3.39Å; M606-L610 VanDerWaalsContact O-CG 3.24Å; M606-L610 WeakPolarHBondContact O-CG 3.39Å; M606-L610 PolarHBondContact O-N 2.85Å; M606-L610 HydrophobicContact SD-CD1 4.49Å; M606-L610 HydrophobicContact SD-CG 4.5Å; L610-A612 VanDerWaalsContact C-N 3.34Å; L610-A612 PolarHBondContact O-N 2.88Å; L610-H613 PolarHBondContact O-N 2.92Å; L610-D614 PolarHBondContact O-N 3.34Å
611	L	80.9	Confident	74.8	Confident	70 Å²	70	83.4 Å²	83.4	37%	0.366	43%	0.433	S	S	.	.	H	α-helix	trans	-60.9	-38.3	168.9	-84.5	163.7	0	0	0	112.9	L576 E607 G608 R615	L576-L611 HydrophobicContact CD1-CB 4.41Å; L576-L611 HydrophobicContact CD1-CD2 3.56Å; L576-L611 HydrophobicContact CD1-CG 3.76Å; L576-L611 HydrophobicContact CD2-CG 4.26Å; E607-L611 HydrophobicContact CG-CD1 4.31Å; E607-L611 WeakPolarHBondContact O-CB 3.12Å; E607-L611 WeakPolarHBondContact O-CG 3.38Å; E607-L611 PolarHBondContact O-N 2.73Å; G608-L611 WeakPolarHBondContact O-CB 3.39Å; G608-L611 PolarHBondContact O-N 2.7Å; L611-R615 WeakPolarHBondContact O-CB 3.49Å; L611-R615 WeakPolarHBondContact O-CD 3.3Å; L611-R615 WeakPolarHBondContact O-CG 3.39Å; L611-R615 PolarHBondContact O-N 3.23Å
612	A	75.4	Confident	72.9	Confident	46 Å²	46	85.4 Å²	85.4	38%	0.38	46%	0.461	S	S	.	.	H	α-helix	trans	-69.1	-46.8	175	0	0	0	0	0	111.3	G608 L609 L610 D614 R615 I616	G608-A612 PolarHBondContact O-N 3.35Å; L609-A612 PolarHBondContact O-N 3.06Å; L610-A612 VanDerWaalsContact C-N 3.34Å; L610-A612 PolarHBondContact O-N 2.88Å; A612-D614 PolarHBondContact O-N 2.87Å; A612-R615 PolarHBondContact O-N 3.06Å; A612-I616 VanDerWaalsContact O-CG1 3.31Å; A612-I616 WeakPolarHBondContact O-CG1 3.47Å; A612-I616 PolarHBondContact O-N 2.89Å
613	H	82.8	Confident	70.3	Confident	65 Å²	65	87.7 Å²	87.7	30%	0.301	48%	0.475	S	S	.	.	H	α-helix	trans	-53.5	-54	176.1	174.5	-83.4	0	0	0	112.1	H572 S575 L609 L610 R615 I616 A617	H572-H613 PolarHBondContact O-CE1 3.25Å; S575-H613 PolarHBondContact OG-CE1 2.85Å; S575-H613 PolarHBondContact OG-ND1 2.9Å; L609-H613 PolarHBondContact O-N 2.69Å; L610-H613 PolarHBondContact O-N 2.92Å; H613-R615 VanDerWaalsContact C-N 3.31Å; H613-R615 PolarHBondContact O-N 2.65Å; H613-I616 PolarHBondContact O-N 3.38Å; H613-I616 VanDerWaalsContact O-N 3.15Å; H613-A617 WeakPolarHBondContact O-CB 3.29Å; H613-A617 PolarHBondContact O-N 3.36Å
614	D	82.4	Confident	67.8	Low	13 Å²	13	92 Å²	92	7%	0.07	50%	0.502	C	S	.	.	H	α-helix	trans	-68.6	-31.8	-175.4	-69.9	-4.6	0	0	0	111.7	S574 S575 L576 L610 A612 N618	S574-D614 VanDerWaalsContact C-OD2 3.3Å; S574-D614 WeakPolarHBondContact CA-OD2 3.39Å; S575-D614 VanDerWaalsContact CB-OD1 3.3Å; S575-D614 WeakPolarHBondContact CB-OD1 3.29Å; S575-D614 PolarHBondContact N-OD1 2.77Å; S575-D614 PolarHBondContact N-OD2 3.35Å; L576-D614 WeakPolarHBondContact CB-OD2 3.48Å; L576-D614 WeakPolarHBondContact CG-OD2 3.35Å; L576-D614 PolarHBondContact N-OD2 2.96Å; L610-D614 PolarHBondContact O-N 3.34Å; A612-D614 PolarHBondContact O-N 2.87Å; D614-N618 WeakPolarHBondContact O-CB 3.35Å; D614-N618 PolarHBondContact O-N 3.43Å; D614-N618 VanDerWaalsContact O-N 3.09Å; D614-N618 PolarHBondContact O-ND2 2.91Å
615	R	76.3	Confident	65.4	Low	171 Å²	171	89.8 Å²	89.8	65%	0.645	51%	0.505	S	S	*	.	H	α-helix	trans	-63.3	-47	170.3	-75.9	172.2	-175.8	-163.1	2.5	111.7	L611 A612 H613 N618 H619	L611-R615 WeakPolarHBondContact O-CB 3.49Å; L611-R615 WeakPolarHBondContact O-CD 3.3Å; L611-R615 WeakPolarHBondContact O-CG 3.39Å; L611-R615 PolarHBondContact O-N 3.23Å; A612-R615 PolarHBondContact O-N 3.06Å; H613-R615 VanDerWaalsContact C-N 3.31Å; H613-R615 PolarHBondContact O-N 2.65Å; R615-N618 PolarHBondContact O-N 2.75Å; R615-H619 PolarHBondContact O-N 3.29Å; R615-H619 PolarHBondContact O-ND1 2.86Å
616	I	68.9	Low	63.3	Low	113 Å²	113	87.5 Å²	87.5	58%	0.579	51%	0.505	S	S	*	.	H	α-helix	trans	-63.3	-45.6	179.9	-67.1	164.3	0	0	0	110.2	A612 H613 N618 H619 T620	A612-I616 VanDerWaalsContact O-CG1 3.31Å; A612-I616 WeakPolarHBondContact O-CG1 3.47Å; A612-I616 PolarHBondContact O-N 2.89Å; H613-I616 PolarHBondContact O-N 3.38Å; H613-I616 VanDerWaalsContact O-N 3.15Å; I616-N618 VanDerWaalsContact C-N 3.35Å; I616-N618 PolarHBondContact O-N 3.45Å; I616-H619 PolarHBondContact O-N 3.41Å; I616-T620 PolarHBondContact O-N 2.99Å; I616-T620 PolarHBondContact O-OG1 2.93Å
617	A	70.4	Confident	60.6	Low	5 Å²	5	90.9 Å²	90.9	4%	0.041	53%	0.529	C	S	.	.	H	α-helix	trans	-56.9	-44.3	176.8	0	0	0	0	0	112.7	P570 H573 H613 H619 T620	P570-A617 HydrophobicContact CB-CB 4.18Å; P570-A617 HydrophobicContact CG-CB 3.6Å; H573-A617 HydrophobicContact CB-CB 4.41Å; H613-A617 WeakPolarHBondContact O-CB 3.29Å; H613-A617 PolarHBondContact O-N 3.36Å; A617-H619 PolarHBondContact O-N 2.85Å; A617-T620 PolarHBondContact O-N 3.27Å; A617-T620 VanDerWaalsContact O-N 3.16Å; A617-T620 PolarHBondContact O-OG1 3.49Å; A617-T620 VanDerWaalsContact O-OG1 3.04Å
618	N	66.3	Low	58.2	Low	109 Å²	109	93.2 Å²	93.2	58%	0.583	55%	0.551	S	S	*	*	H	α-helix	trans	-70.6	-8.7	177.9	-77.6	-79.1	0	0	0	114.3	H573 D614 R615 I616	H573-N618 PolarHBondContact O-ND2 3.43Å; D614-N618 WeakPolarHBondContact O-CB 3.35Å; D614-N618 PolarHBondContact O-N 3.43Å; D614-N618 VanDerWaalsContact O-N 3.09Å; D614-N618 PolarHBondContact O-ND2 2.91Å; R615-N618 PolarHBondContact O-N 2.75Å; I616-N618 VanDerWaalsContact C-N 3.35Å; I616-N618 PolarHBondContact O-N 3.45Å
619	H	57.5	Low	55.8	Low	165 Å²	165	98.1 Å²	98.1	76%	0.764	57%	0.574	S	S	*	*	H	α-helix	trans	-99.6	-6.4	172.1	-71.2	73.2	0	0	0	113.2	R615 I616 A617	R615-H619 PolarHBondContact O-N 3.29Å; R615-H619 PolarHBondContact O-ND1 2.86Å; I616-H619 PolarHBondContact O-N 3.41Å; A617-H619 PolarHBondContact O-N 2.85Å
620	T	53.1	Low	53.8	Low	93 Å²	93	98.1 Å²	98.1	57%	0.571	58%	0.581	S	S	*	*	H	α-helix	trans	-104.2	-13.5	-177.2	52.9	0	0	0	0	115.1	I616 A617	I616-T620 PolarHBondContact O-N 2.99Å; I616-T620 PolarHBondContact O-OG1 2.93Å; A617-T620 PolarHBondContact O-N 3.27Å; A617-T620 VanDerWaalsContact O-N 3.16Å; A617-T620 PolarHBondContact O-OG1 3.49Å; A617-T620 VanDerWaalsContact O-OG1 3.04Å
621	D	42.6	Very low	50.9	Low	125 Å²	125	103.2 Å²	103.2	67%	0.668	61%	0.613	S	S	*	*			trans	-93.5	100.3	175.6	-165.5	-12.4	0	0	0	111.8
622	G	40.8	Very low	48.5	Very low	74 Å²	74	105.3 Å²	105.3	76%	0.763	63%	0.63	S	S	*	*			trans	-111.3	59.7	-172.8	0	0	0	0	0	114.4
623	T	29	Very low	46.2	Very low	117 Å²	117	107.5 Å²	107.5	72%	0.718	65%	0.649	S	S	*	*			trans	-89.7	121.5	173.6	41.2	0	0	0	0	112.5
624	P	35.2	Very low	43.5	Very low	127 Å²	127	112.7 Å²	112.7	83%	0.825	68%	0.677	S	S	*	*			trans	-81.3	144.8	-176.5	31.9	-35	0	0	0	112.8
625	S	26.4	Very low	40.6	Very low	115 Å²	115	115.2 Å²	115.2	80%	0.804	71%	0.706	S	S	*	*			trans	-119.7	151.7	169.1	-93.7	0	0	0	0	112.1
626	P	34	Very low	38.2	Very low	124 Å²	124	112 Å²	112	81%	0.805	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-88.2	145.7	-148.9	32.4	-37.1	0	0	0	115.6
627	T	28	Very low	36	Very low	130 Å²	130	111.2 Å²	111.2	80%	0.798	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-90.9	129.7	166.3	-30.2	0	0	0	0	110.4
628	P	31.3	Very low	33.8	Very low	121 Å²	121	118.1 Å²	118.1	79%	0.786	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-79.1	150.5	171.5	31.4	-33.4	0	0	0	112.5
629	T	25.2	Very low	31.8	Very low	140 Å²	140	116.5 Å²	116.5	86%	0.859	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-94.4	170.8	-171.8	31.6	0	0	0	0	114.1
630	P	39.9	Very low	30.3	Very low	113 Å²	113	113.4 Å²	113.4	73%	0.734	77%	0.774	S	S	*	*			trans	-111.4	-158.2	-146.3	44	-39.9	0	0	0	116.8
631	T	22.4	Very low	28.9	Very low	132 Å²	132	114.8 Å²	114.8	81%	0.81	78%	0.783	S	S	*	*			trans	77.9	155.3	168	31.6	0	0	0	0	119.2
632	P	31.7	Very low	28.1	Very low	113 Å²	113	116.6 Å²	116.6	73%	0.734	79%	0.791	S	S	*	*			cis	-138.7	156.8	-10.2	34.9	-15.2	0	0	0	118.5
633	A	25.3	Very low	27.4	Very low	93 Å²	93	118.1 Å²	118.1	77%	0.769	79%	0.79	S	S	*	*			trans	66.4	166.8	141.4	0	0	0	0	0	123.9
634	I	26	Very low	27.3	Very low	174 Å²	174	118 Å²	118	89%	0.892	79%	0.794	S	S	*	*			trans	73.8	139	172.3	-46	172.4	0	0	0	115.6
635	G	23.4	Very low	28	Very low	65 Å²	65	117.4 Å²	117.4	67%	0.67	79%	0.79	S	S	*	*			cis	156.7	118	-13.2	0	0	0	0	0	116.2
636	A	24	Very low	28	Very low	103 Å²	103	118.4 Å²	118.4	85%	0.851	79%	0.791	S	S	*	*			trans	70.4	139.5	155.3	0	0	0	0	0	123.8
637	A	24.3	Very low	27.7	Very low	97 Å²	97	117 Å²	117	80%	0.802	79%	0.79	S	S	*	*			trans	60.7	149	152.1	0	0	0	0	0	119.3
638	T	24.3	Very low	27.4	Very low	151 Å²	151	114 Å²	114	93%	0.926	79%	0.785	S	S	*	*			cis	-126.9	-155.8	31.6	145	0	0	0	0	112.7
639	G	24.1	Very low	28	Very low	75 Å²	75	113.1 Å²	113.1	77%	0.773	78%	0.779	S	S	*	*			trans	-134.2	-73.7	-158	0	0	0	0	0	120.7
640	S	24.4	Very low	28.2	Very low	99 Å²	99	115.4 Å²	115.4	69%	0.692	78%	0.777	S	S	*	*			trans	-126.2	146.9	-138.5	57.4	0	0	0	0	118.2
641	T	24.3	Very low	27.8	Very low	123 Å²	123	120.1 Å²	120.1	76%	0.755	78%	0.78	S	S	*	*				160.9	145.3	121.7	37.8	0	0	0	0	115.6
642	L	26.9	Very low	28.1	Very low	163 Å²	163	118.3 Å²	118.3	85%	0.853	77%	0.766	S	S	*	*			trans	61.4	149.7	149.9	-64.5	163.4	0	0	0	119.7
643	S	24.8	Very low	28	Very low	105 Å²	105	120.7 Å²	120.7	73%	0.734	77%	0.771	S	S	*	*			cis	-159.2	158	-8.4	46.3	0	0	0	0	112.3
644	S	26.4	Very low	28	Very low	114 Å²	114	119.4 Å²	119.4	80%	0.797	77%	0.768	S	S	*	*			trans	-87.6	-158.9	176.6	-33.9	0	0	0	0	111.8
645	P	50.2	Low	28.2	Very low	116 Å²	116	118.9 Å²	118.9	75%	0.753	76%	0.763	S	S	*	*			cis	-145.6	-153	12.8	38.8	-12.9	0	0	0	116.4
646	V	26.6	Very low	28.4	Very low	136 Å²	136	122 Å²	122	82%	0.824	77%	0.769	S	S	*	*			trans	88.2	123.5	166.6	-170.9	0	0	0	0	115.7
647	A	27.2	Very low	28.6	Very low	94 Å²	94	122.1 Å²	122.1	78%	0.777	76%	0.759	S	S	*	*			cis	-157.1	167	-11.1	0	0	0	0	0	112.2
648	G	22.8	Very low	29.4	Very low	67 Å²	67	123.1 Å²	123.1	69%	0.691	76%	0.757	S	S	*	*			trans	-103.9	-138.4	164	0	0	0	0	0	111.4
649	P	43.8	Very low	30.6	Very low	103 Å²	103	121.1 Å²	121.1	67%	0.669	75%	0.747	S	S	*	*			cis	-151.4	-171	3.5	45.2	-25.5	0	0	0	117.3
650	K	29.8	Very low	31.6	Very low	187 Å²	187	122.6 Å²	122.6	81%	0.813	74%	0.743	S	S	*	*			trans	76.7	148.5	158.7	-64.3	164.2	-168.7	169.8	0	115.9
651	R	30.1	Very low	31.8	Very low	213 Å²	213	124.2 Å²	124.2	80%	0.804	75%	0.748	S	S	*	*			cis	-166.4	177.4	4.2	-126.7	-171.6	153.6	157.7	-0.4	109.9
652	N	28.5	Very low	32.1	Very low	94 Å²	94	124.8 Å²	124.8	50%	0.503	75%	0.751	S	S	.	*			cis	-164.6	113.5	-2.2	-174.4	75.6	0	0	0	114.6
653	L	31	Very low	32.5	Very low	162 Å²	162	122.3 Å²	122.3	85%	0.848	75%	0.745	S	S	*	*			trans	62.9	161.4	150.9	-62.7	176.2	0	0	0	120.6
654	G	25.4	Very low	34.1	Very low	67 Å²	67	122.9 Å²	122.9	69%	0.691	75%	0.746	S	S	*	*			cis	-164.1	-175.1	7.3	0	0	0	0	0	117.1
655	M	28.9	Very low	35	Very low	162 Å²	162	122.8 Å²	122.8	80%	0.798	74%	0.743	S	S	*	*			trans	-107.8	175	-172.3	-61	160.8	60.9	0	0	112.3	V657	M655-V657 HydrophobicContact CE-CG2 4.36Å
656	V	28.2	Very low	34.1	Very low	130 Å²	130	125.3 Å²	125.3	79%	0.788	75%	0.749	S	S	*	*				170.5	141.3	92.9	158.1	0	0	0	0	108.2
657	V	27.8	Very low	34.3	Very low	106 Å²	106	122.2 Å²	122.2	64%	0.642	74%	0.738	S	S	*	*			cis	99.6	133.9	10.6	178.3	0	0	0	0	114.7	M655	M655-V657 HydrophobicContact CE-CG2 4.36Å
658	P	42.7	Very low	34.5	Very low	118 Å²	118	125.5 Å²	125.5	77%	0.766	74%	0.737	S	S	*	*			cis	-126.3	-118.2	-6.8	28.9	-1.4	0	0	0	116.4
659	P	49.1	Very low	34.8	Very low	109 Å²	109	133.2 Å²	133.2	71%	0.708	75%	0.745	S	S	*	*			trans	-124.3	-143.5	-131	42.5	-18.2	0	0	0	112.9
660	P	44.1	Very low	34	Very low	107 Å²	107	131.9 Å²	131.9	70%	0.695	75%	0.75	S	S	*	*			cis	-141.1	-162.9	-11.9	41	-19	0	0	0	116.9
661	V	29.5	Very low	33.8	Very low	132 Å²	132	127.9 Å²	127.9	80%	0.8	75%	0.752	S	S	*	*			trans	80.1	149.7	157.5	169.8	0	0	0	0	118.7
662	V	29.6	Very low	33.7	Very low	135 Å²	135	124.8 Å²	124.8	82%	0.818	75%	0.749	S	S	*	*			trans	-148.5	130.3	-173.7	174.2	0	0	0	0	112.4
663	P	36.3	Very low	34.2	Very low	111 Å²	111	125.7 Å²	125.7	72%	0.721	76%	0.76	S	S	*	*			trans	-140.4	152.8	151.9	38	-23.8	0	0	0	115.4
664	P	58	Low	34	Very low	118 Å²	118	124.2 Å²	124.2	77%	0.766	75%	0.752	S	S	*	*			trans	-93.7	165.3	173.3	38.3	-35.5	0	0	0	113.3
665	P	46.4	Very low	34.8	Very low	112 Å²	112	126 Å²	126	73%	0.727	75%	0.751	S	S	*	*				-155.6	163.8	110.3	40	-22.3	0	0	0	118
666	L	29.3	Very low	34.7	Very low	169 Å²	169	129.6 Å²	129.6	89%	0.885	76%	0.756	S	S	*	*			trans	35.5	151	135.8	-57.5	169.7	0	0	0	122.8
667	A	32.1	Very low	34.8	Very low	71 Å²	71	126.5 Å²	126.5	59%	0.587	75%	0.75	S	S	*	*			cis	-179.2	174.9	-15.7	0	0	0	0	0	112.9
668	Q	31.5	Very low	34.7	Very low	163 Å²	163	130.8 Å²	130.8	76%	0.762	76%	0.763	S	S	*	*			trans	75.4	156.1	153.7	-76.4	-178.3	72	0	0	119.4
669	R	29	Very low	34.2	Very low	228 Å²	228	130.4 Å²	130.4	86%	0.86	76%	0.763	S	S	*	*			cis	-156.3	154.8	5.9	-144.9	176.8	175.9	-177	-1.4	115.4
670	G	26.1	Very low	33.6	Very low	75 Å²	75	130.8 Å²	130.8	77%	0.773	77%	0.765	S	S	*	*			trans	119.2	137	147.6	0	0	0	0	0	116.2
671	A	26.2	Very low	33	Very low	104 Å²	104	131.1 Å²	131.1	86%	0.86	77%	0.768	S	S	*	*			cis	-153.8	169.1	-12.2	0	0	0	0	0	111.2
672	M	27.7	Very low	33.3	Very low	148 Å²	148	130.4 Å²	130.4	73%	0.729	77%	0.766	S	S	*	*			trans	-114.5	-177.4	-169.8	-74.5	-77.5	-94.8	0	0	111.1	L674	M672-L674 HydrophobicContact CE-CD1 3.65Å; M672-L674 HydrophobicContact CE-CD2 3.85Å; M672-L674 HydrophobicContact CE-CG 3.54Å
673	P	39.9	Very low	33.3	Very low	113 Å²	113	130.8 Å²	130.8	73%	0.734	77%	0.768	S	S	*	*			cis	-129.6	153.6	15.5	14.5	14.2	0	0	0	116.8
674	L	26	Very low	33	Very low	131 Å²	131	131.1 Å²	131.1	69%	0.686	77%	0.77	S	S	*	*				73.1	158.8	74.7	-68.9	174.4	0	0	0	116.5	M672	M672-L674 HydrophobicContact CE-CD1 3.65Å; M672-L674 HydrophobicContact CE-CD2 3.85Å; M672-L674 HydrophobicContact CE-CG 3.54Å
675	P	41.8	Very low	31.9	Very low	103 Å²	103	133.9 Å²	133.9	67%	0.669	78%	0.775	S	S	*	*			cis	-139.6	155.2	6.9	34.2	-12.9	0	0	0	120.3
676	R	28	Very low	31.9	Very low	239 Å²	239	134.1 Å²	134.1	90%	0.902	78%	0.777	S	S	*	*			trans	61.5	152.6	141.2	-66.8	171.5	177.2	159.1	-2	121.4
677	G	29	Very low	32.8	Very low	64 Å²	64	131.3 Å²	131.3	66%	0.66	77%	0.768	S	S	*	*			cis	173.6	163.4	-6.5	0	0	0	0	0	115.1
678	E	26.2	Very low	32.5	Very low	197 Å²	197	135.8 Å²	135.8	92%	0.921	78%	0.782	S	S	*	*			trans	40.7	151.4	154.9	-69.6	159.3	115.2	0	0	124.3
679	S	32.6	Very low	32.3	Very low	109 Å²	109	131.7 Å²	131.7	76%	0.762	78%	0.776	S	S	*	*			trans	-111.7	-177.7	172	60.1	0	0	0	0	110.5
680	P	35.6	Very low	32.2	Very low	117 Å²	117	127.2 Å²	127.2	76%	0.76	77%	0.774	S	S	*	*			cis	-117.7	-136.2	-8.4	40	-20.3	0	0	0	109.3
681	P	32.1	Very low	32.1	Very low	114 Å²	114	131.8 Å²	131.8	74%	0.74	78%	0.777	S	S	*	*			cis	-128.6	-177.2	-22.5	40.3	-22.4	0	0	0	115.2
682	P	36.7	Very low	32.8	Very low	117 Å²	117	131.5 Å²	131.5	76%	0.76	77%	0.767	S	S	*	*			trans	-113.5	124.7	-177.5	37.2	-26.9	0	0	0	117
683	V	29.7	Very low	32.8	Very low	144 Å²	144	132.8 Å²	132.8	87%	0.873	77%	0.773	S	S	*	*			trans	176.5	165.7	154.6	-97.7	0	0	0	0	109
684	P	29.5	Very low	32.1	Very low	117 Å²	117	132.8 Å²	132.8	76%	0.76	78%	0.776	S	S	*	*			cis	-129	177.9	-6.6	41.5	-26.2	0	0	0	115.3
685	M	34.4	Very low	32.1	Very low	176 Å²	176	134 Å²	134	87%	0.867	78%	0.78	S	S	*	*			trans	-94.7	171	154.3	-51.5	-160.3	-61.3	0	0	109.9
686	P	47.7	Very low	31.7	Very low	118 Å²	118	134.7 Å²	134.7	77%	0.766	78%	0.784	S	S	*	*				-154.1	-151.4	67.3	45.1	-22.6	0	0	0	111.6
687	P	47.8	Very low	31.6	Very low	109 Å²	109	128.7 Å²	128.7	71%	0.708	77%	0.774	S	S	*	*			cis	-121.5	-160	-17.5	44.8	-29.2	0	0	0	110.8
688	L	25.8	Very low	31.4	Very low	166 Å²	166	133 Å²	133	87%	0.869	78%	0.782	S	S	*	*			cis	-149.5	-177.2	-8.7	-149	65.6	0	0	0	104.1
689	A	26.6	Very low	31.4	Very low	76 Å²	76	131.8 Å²	131.8	63%	0.628	78%	0.78	S	S	*	*			cis	-157.8	174.1	2.8	0	0	0	0	0	107.7
690	T	26.6	Very low	31.2	Very low	135 Å²	135	131.8 Å²	131.8	83%	0.828	78%	0.778	S	S	*	*			cis	-139.8	150.8	-0.9	-35.9	0	0	0	0	108.5
691	M	24.2	Very low	31.1	Very low	171 Å²	171	135.7 Å²	135.7	84%	0.842	79%	0.788	S	S	*	*			trans	-109.4	-169.7	178	-81	-90.7	-179.4	0	0	108.7
692	P	40.3	Very low	30.8	Very low	98 Å²	98	135 Å²	135	64%	0.636	79%	0.787	S	S	*	*			cis	-148.8	175.1	11	45.4	-26	0	0	0	119.8
693	M	28.1	Very low	30.3	Very low	174 Å²	174	133.3 Å²	133.3	86%	0.857	78%	0.782	S	S	*	*			trans	70.5	150.2	143.8	-75.5	4.1	162.9	0	0	120.7
694	S	25.8	Very low	30.2	Very low	114 Å²	114	132 Å²	132	80%	0.797	78%	0.778	S	S	*	*			cis	-145.8	161.7	5.3	46.3	0	0	0	0	115.5
695	M	25.5	Very low	30.1	Very low	157 Å²	157	137.2 Å²	137.2	77%	0.773	79%	0.789	S	S	*	*			trans	-66	175.5	173.4	-70.2	-70.5	-93	0	0	113.7	V697	M695-V697 HydrophobicContact CE-CG2 4.5Å
696	P	33.2	Very low	29.7	Very low	116 Å²	116	131.8 Å²	131.8	75%	0.753	78%	0.779	S	S	*	*			cis	-146	163.7	22.6	43.3	-23.2	0	0	0	121.2
697	V	27.3	Very low	29	Very low	114 Å²	114	132.8 Å²	132.8	69%	0.691	78%	0.783	S	S	*	*			trans	22.9	102.8	142.3	-169.5	0	0	0	0	119.1	M695	M695-V697 HydrophobicContact CE-CG2 4.5Å
698	N	24.1	Very low	28	Very low	154 Å²	154	135.5 Å²	135.5	82%	0.824	79%	0.79	S	S	*	*				-173.2	135.8	124.1	-108.6	-19.5	0	0	0	110.3
699	L	26.6	Very low	28.6	Very low	171 Å²	171	135 Å²	135	90%	0.895	79%	0.789	S	S	*	*			trans	-139	107.6	167.7	-156.1	79.1	0	0	0	109.6
700	P	26.9	Very low	29	Very low	109 Å²	109	138.4 Å²	138.4	71%	0.708	80%	0.797	S	S	*	*			trans	-83.6	147.8	-177.5	32.7	-33.9	0	0	0	112.1	S702	P700-S702 PolarHBondContact O-N 3.14Å
701	M	33.9	Very low	29.5	Very low	199 Å²	199	140.8 Å²	140.8	98%	0.98	80%	0.798	S	S	*	*			trans	-71.9	115.8	150.7	-78.1	-163.8	-66.6	0	0	108.8
702	S	26.9	Very low	30.5	Very low	101 Å²	101	136.2 Å²	136.2	71%	0.706	78%	0.777	S	S	*	*			trans	-155.5	106.6	156	-166.9	0	0	0	0	106.5	P700	P700-S702 PolarHBondContact O-N 3.14Å
703	A	25.7	Very low	31	Very low	81 Å²	81	136.6 Å²	136.6	67%	0.669	77%	0.774	S	S	*	*				78.6	128.8	58.1	0	0	0	0	0	113.6
704	C	28.3	Very low	33.1	Very low	116 Å²	116	133 Å²	133	78%	0.784	76%	0.758	S	S	*	*			trans	42.3	104.1	161.9	54.7	0	0	0	0	120.4
705	F	27.5	Very low	35.8	Very low	226 Å²	226	131.3 Å²	131.3	99%	0.991	74%	0.739	S	S	*	*			trans	-131.4	126.8	135.5	-106	-93.9	0	0	0	106.8
706	G	25.7	Very low	38.7	Very low	63 Å²	63	129.3 Å²	129.3	65%	0.649	72%	0.723	S	S	*	*			cis	-172.3	125.5	-13.5	0	0	0	0	0	108.6	L708	G706-L708 PolarHBondContact O-N 3.15Å
707	T	33	Very low	41.3	Very low	139 Å²	139	129.7 Å²	129.7	85%	0.853	72%	0.718	S	S	*	*			trans	-76.2	96	-174.4	49.4	0	0	0	0	111.5
708	L	26.6	Very low	44.4	Very low	165 Å²	165	125 Å²	125	86%	0.864	69%	0.689	S	S	*	*			trans	-103.9	131.2	156.6	-63.5	179.4	0	0	0	107.7	G706 D710	G706-L708 PolarHBondContact O-N 3.15Å; L708-D710 PolarHBondContact O-N 3.49Å
709	N	38	Very low	47.6	Very low	155 Å²	155	123.4 Å²	123.4	83%	0.829	68%	0.676	S	S	*	*			trans	-78.4	104.4	-173.7	-75.6	-5.6	0	0	0	111.2
710	D	33.8	Very low	50.6	Low	149 Å²	149	115.6 Å²	115.6	80%	0.797	64%	0.635	S	S	*	*			trans	-136	108.5	158.1	-104.9	-43.7	0	0	0	109.2	L708 N712	L708-D710 PolarHBondContact O-N 3.49Å; D710-N712 VanDerWaalsContact C-N 3.33Å; D710-N712 PolarHBondContact O-N 2.76Å
711	Q	38.7	Very low	53.5	Low	185 Å²	185	117.8 Å²	117.8	86%	0.864	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	67.6	-171.8	-68.1	-176.3	-16.1	0	0	112.5
712	N	43.7	Very low	55.9	Low	75 Å²	75	108.8 Å²	108.8	40%	0.401	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-156.2	-7.8	166.9	-134.6	124.8	0	0	0	118	R563 R566 D710	R563-N712 PolarHBondContact NH1-ND2 2.86Å; R566-N712 PolarHBondContact NH2-OD1 2.55Å; D710-N712 VanDerWaalsContact C-N 3.33Å; D710-N712 PolarHBondContact O-N 2.76Å
713	D	52.1	Low	58.4	Low	105 Å²	105	106.9 Å²	106.9	56%	0.561	58%	0.578	S	S	*	*			trans	-107.2	80	-170.1	-73.4	-8.6	0	0	0	112.5
714	N	71.4	Confident	60.8	Low	98 Å²	98	108.9 Å²	108.9	52%	0.524	58%	0.582	S	S	.	*			trans	-128.9	40.7	176.6	-167.3	53.7	0	0	0	113	P794	N714-P794 WeakPolarHBondContact O-CD 3.35Å
715	I	82.6	Confident	63.1	Low	80 Å²	80	107.2 Å²	107.2	41%	0.41	56%	0.563	S	S	.	*			trans	-64.6	134	173.6	-57.8	174.5	0	0	0	109.1	L762 L791 I792 V793	I715-L762 HydrophobicContact CD1-CD1 4.05Å; I715-L762 HydrophobicContact CG1-CD1 4.31Å; I715-L762 HydrophobicContact CG2-CD1 4.35Å; I715-L791 HydrophobicContact CG2-CD1 3.63Å; I715-L791 HydrophobicContact CG2-CD2 4.3Å; I715-L791 HydrophobicContact CG2-CG 3.67Å; I715-I792 CarbonylContact C-O 3.57Å; I715-I792 WeakPolarHBondContact CA-O 3.43Å; I715-V793 HydrophobicContact CG1-CG2 4.39Å
716	R	86.2	Confident	65.8	Low	114 Å²	114	97.3 Å²	97.3	43%	0.43	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	147.3	174.3	-65.7	-173.7	178.1	165.5	-4	110.9	I792 P794	R716-I792 HydrophobicContact CB-CG1 3.97Å; R716-I792 PolarHBondContact N-O 3.28Å; R716-I792 PolarHBondContact O-N 3.3Å; R716-P794 HydrophobicContact CB-CG 4.36Å; R716-P794 HydrophobicContact CG-CG 3.77Å
717	I	89.2	Confident	68.6	Low	124 Å²	124	94.3 Å²	94.3	64%	0.636	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.1	167.2	-39.5	-170.9	0	0	0	107.1	T789 F790 L791	I717-T789 HydrophobicContact CG2-CG2 3.53Å; I717-F790 WeakPolarHBondContact CA-O 3.45Å; I717-L791 HydrophobicContact CD1-CD1 4.35Å; I717-L791 HydrophobicContact CG1-CD1 3.9Å
718	I	91.4	Very high	71.3	Confident	17 Å²	17	87.9 Å²	87.9	9%	0.087	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	155.6	176.8	63.4	166.9	0	0	0	110	I720 L754 L755 T789 F790 I792	I718-I720 HydrophobicContact CD1-CD1 4.2Å; I718-L754 HydrophobicContact CB-CB 4.1Å; I718-L754 HydrophobicContact CB-CD1 4.1Å; I718-L754 HydrophobicContact CD1-CB 3.89Å; I718-L754 HydrophobicContact CG2-CB 4.14Å; I718-L755 HydrophobicContact CD1-CD2 3.53Å; I718-L755 HydrophobicContact CD1-CG 3.65Å; I718-T789 CarbonylContact O-C 3.55Å; I718-T789 WeakPolarHBondContact O-CA 3.26Å; I718-F790 HydrophobicContact CD1-CB 4.23Å; I718-F790 HydrophobicContact CD1-CD2 4.43Å; I718-F790 HydrophobicContact CG1-CB 3.76Å; I718-F790 HydrophobicContact CG1-CD2 4.3Å; I718-F790 HydrophobicContact CG1-CG 4.42Å; I718-F790 PolarHBondContact N-O 3.31Å; I718-F790 PolarHBondContact O-N 3.13Å; I718-I792 HydrophobicContact CD1-CD1 4.06Å; I718-I792 HydrophobicContact CG1-CD1 4.46Å; I718-I792 HydrophobicContact CG2-CD1 4.31Å
719	Q	90.8	Very high	74.4	Confident	120 Å²	120	80 Å²	80	56%	0.561	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130	125.2	177.6	-68	-170.7	-45.4	0	0	110	L754 T787 L788 T789	Q719-L754 WeakPolarHBondContact O-CD1 3.25Å; Q719-T787 HydrophobicContact CB-CG2 4.07Å; Q719-T787 HydrophobicContact CG-CG2 4.44Å; Q719-L788 WeakPolarHBondContact CA-O 3.49Å; Q719-T789 HydrophobicContact CG-CG2 3.96Å; Q719-T789 PolarHBondContact NE2-OG1 2.79Å
720	I	91.1	Very high	76.9	Confident	6 Å²	6	72.7 Å²	72.7	3%	0.031	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.2	178.1	-55.7	175.7	0	0	0	107.8	I718 K722 L727 A748 S752 L754 L755 L788 F790	I718-I720 HydrophobicContact CD1-CD1 4.2Å; I720-K722 PolarHBondContact O-N 3.33Å; I720-L727 HydrophobicContact CB-CD1 4.4Å; I720-L727 HydrophobicContact CG2-CD1 3.78Å; I720-A748 HydrophobicContact CG2-CB 4.23Å; I720-S752 WeakPolarHBondContact CD1-OG 3.45Å; I720-L754 HydrophobicContact CD1-CB 4.49Å; I720-L754 HydrophobicContact CG1-CD1 4.35Å; I720-L755 HydrophobicContact CD1-CD1 3.6Å; I720-L755 HydrophobicContact CD1-CG 3.82Å; I720-L788 PolarHBondContact N-O 2.78Å; I720-L788 PolarHBondContact O-N 2.69Å; I720-F790 HydrophobicContact CB-CE2 4.3Å; I720-F790 HydrophobicContact CD1-CE2 4.22Å; I720-F790 HydrophobicContact CG1-CE2 4.44Å
721	E	87.4	Confident	79.7	Confident	155 Å²	155	65.6 Å²	65.6	72%	0.724	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	110.2	174.3	-172.7	169.7	-162	0	0	109.4
722	K	83.7	Confident	82.2	Confident	11 Å²	11	60 Å²	60	5%	0.048	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	126	172.8	-174.2	-170.7	159.5	-171.6	0	109.3	D334 I720 L727 L781 M784 G786 L788	D334-K722 VanDerWaalsContact CG-CE 3.45Å; D334-K722 IonicContact OD1-NZ 2.8Å; D334-K722 PolarHBondContact OD1-NZ 3.43Å; D334-K722 WeakPolarHBondContact OD2-CD 3.39Å; D334-K722 WeakPolarHBondContact OD2-CE 3.17Å; D334-K722 IonicContact OD2-NZ 2.81Å; D334-K722 PolarHBondContact OD2-NZ 2.96Å; I720-K722 PolarHBondContact O-N 3.33Å; K722-L727 HydrophobicContact CB-CD1 4.24Å; K722-L727 HydrophobicContact CG-CD1 4.45Å; K722-L781 PolarHBondContact NZ-O 3.1Å; K722-M784 WeakPolarHBondContact CD-O 3.32Å; K722-M784 WeakPolarHBondContact CE-O 3.47Å; K722-M784 PolarHBondContact NZ-O 3.21Å; K722-G786 PolarHBondContact N-O 3.12Å; K722-G786 WeakPolarHBondContact O-CA 3.49Å; K722-G786 PolarHBondContact O-N 2.79Å; K722-L788 HydrophobicContact CB-CD1 3.78Å; K722-L788 HydrophobicContact CB-CG 3.93Å; K722-L788 HydrophobicContact CD-CD1 3.9Å; K722-L788 HydrophobicContact CG-CD1 4.37Å
723	S	80.2	Confident	84.5	Confident	60 Å²	60	57.3 Å²	57.3	42%	0.42	29%	0.29	S	S	.	.			trans	-85.1	-154.3	175	68.1	0	0	0	0	111	E725	S723-E725 PolarHBondContact OG-N 3.48Å; S723-E725 VanDerWaalsContact OG-N 3.09Å
724	T	75.4	Confident	86.2	Confident	123 Å²	123	58.3 Å²	58.3	76%	0.755	29%	0.291	S	S	*	.	S	Bend	trans	-76.7	-9.5	165.9	49	0	0	0	0	113.3
725	E	76.9	Confident	86.9	Confident	81 Å²	81	56.5 Å²	56.5	38%	0.379	30%	0.296	S	S	.	.	S	Bend	trans	-90.6	158.3	176.8	-71.6	174.9	-135.9	0	0	111.5	S723 T878	S723-E725 PolarHBondContact OG-N 3.48Å; S723-E725 VanDerWaalsContact OG-N 3.09Å; E725-T878 WeakPolarHBondContact OE2-CB 3.31Å; E725-T878 WeakPolarHBondContact OE2-CG2 3.28Å; E725-T878 PolarHBondContact OE2-OG1 3.32Å
726	P	83.5	Confident	87	Confident	18 Å²	18	56.7 Å²	56.7	12%	0.117	30%	0.295	C	S	.	.			trans	-54.7	145.4	172.3	19	-33	0	0	0	114	D334 G728 L879	D334-P726 HydrophobicContact CB-CB 3.74Å; D334-P726 WeakPolarHBondContact O-CB 3.36Å; P726-G728 PolarHBondContact O-N 3.12Å; P726-G728 VanDerWaalsContact O-N 3.14Å; P726-L879 HydrophobicContact CB-CD1 3.85Å; P726-L879 HydrophobicContact CG-CD1 3.46Å; P726-L879 VanDerWaalsContact CG-CD1 3.46Å; P726-L879 HydrophobicContact CG-CG 3.95Å
727	L	85.9	Confident	87	Confident	1 Å²	1	52 Å²	52	1%	0.005	28%	0.28	C	S	.	.			trans	-56.8	-29.7	174.6	-162.3	74.9	0	0	0	113.1	V333 D334 I720 K722 G747 A748 A749 L755 L788 F790	V333-L727 HydrophobicContact CG1-CB 4.12Å; V333-L727 HydrophobicContact CG1-CD2 4.21Å; D334-L727 WeakPolarHBondContact OD2-CB 3.36Å; D334-L727 PolarHBondContact OD2-N 2.98Å; D334-L727 VanDerWaalsContact OD2-N 3.15Å; I720-L727 HydrophobicContact CB-CD1 4.4Å; I720-L727 HydrophobicContact CG2-CD1 3.78Å; K722-L727 HydrophobicContact CB-CD1 4.24Å; K722-L727 HydrophobicContact CG-CD1 4.45Å; L727-G747 CarbonylContact O-C 3.59Å; L727-A748 HydrophobicContact CD1-CB 4.3Å; L727-A748 PolarHBondContact O-N 3.09Å; L727-A749 HydrophobicContact CG-CB 4.27Å; L727-A749 WeakPolarHBondContact O-CB 3.44Å; L727-A749 PolarHBondContact O-N 3.45Å; L727-L755 HydrophobicContact CD2-CD1 4.14Å; L727-L788 HydrophobicContact CD1-CD1 4.2Å; L727-F790 HydrophobicContact CD2-CE1 4.42Å; L727-F790 HydrophobicContact CD2-CE2 4.39Å; L727-F790 HydrophobicContact CD2-CZ 3.67Å
728	G	89.2	Confident	87.1	Confident	3 Å²	3	46.1 Å²	46.1	3%	0.031	25%	0.25	C	S	.	.			trans	76.2	48.8	-178	0	0	0	0	0	113.3	P726 V744	P726-G728 PolarHBondContact O-N 3.12Å; P726-G728 VanDerWaalsContact O-N 3.14Å; G728-V744 WeakPolarHBondContact O-CA 3.43Å; G728-V744 WeakPolarHBondContact O-CB 3.41Å; G728-V744 PolarHBondContact O-N 2.66Å
729	A	91.3	Very high	87.1	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	157.2	165.7	0	0	0	0	0	109.1	V333 I740 R742 I743 A749	V333-A729 WeakPolarHBondContact CB-O 3.12Å; V333-A729 HydrophobicContact CG2-CB 4.27Å; V333-A729 WeakPolarHBondContact CG2-O 3.34Å; V333-A729 PolarHBondContact N-O 3.27Å; A729-I740 HydrophobicContact CB-CD1 4.32Å; A729-R742 CarbonylContact C-O 3.47Å; A729-R742 VanDerWaalsContact CA-O 3.3Å; A729-R742 WeakPolarHBondContact CA-O 3.5Å; A729-I743 HydrophobicContact CB-CD1 4.19Å; A729-A749 HydrophobicContact CB-CB 4.19Å
730	T	91.4	Very high	87.2	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	159.2	163.3	69.9	0	0	0	0	110.7	E330 M331 G741 R742 C843 L846	E330-T730 PolarHBondContact OE2-OG1 3.47Å; M331-T730 CarbonylContact O-C 3.5Å; M331-T730 WeakPolarHBondContact O-CA 3.44Å; M331-T730 WeakPolarHBondContact O-CB 3.34Å; T730-G741 PolarHBondContact O-N 3.2Å; T730-G741 WeakPolarHBondContact OG1-CA 3.37Å; T730-R742 HydrophobicContact CG2-CB 4.25Å; T730-R742 PolarHBondContact N-O 2.9Å; T730-R742 VanDerWaalsContact OG1-CB 3.22Å; T730-R742 WeakPolarHBondContact OG1-CB 3.33Å; T730-R742 PolarHBondContact OG1-N 3.24Å; T730-C843 HydrophobicContact CG2-CB 4.05Å; T730-L846 HydrophobicContact CG2-CD1 3.49Å; T730-L846 VanDerWaalsContact CG2-CD1 3.49Å
731	V	91.9	Very high	87.1	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.3	173	-82.7	0	0	0	0	110.2	E330 M331 V333 V738 V739 I740 I761 V774 V777	E330-V731 WeakPolarHBondContact CA-O 3.35Å; M331-V731 PolarHBondContact N-O 2.94Å; M331-V731 PolarHBondContact O-N 3.48Å; V333-V731 HydrophobicContact CG2-CB 4.45Å; V333-V731 HydrophobicContact CG2-CG1 3.88Å; V333-V731 HydrophobicContact CG2-CG2 3.87Å; V731-V738 HydrophobicContact CB-CG1 4.3Å; V731-V738 HydrophobicContact CG1-CG1 4.12Å; V731-V739 WeakPolarHBondContact CA-O 3.4Å; V731-I740 HydrophobicContact CG1-CD1 4.32Å; V731-I761 HydrophobicContact CG1-CD1 3.94Å; V731-V774 HydrophobicContact CB-CG1 4.25Å; V731-V774 HydrophobicContact CG2-CG1 3.6Å; V731-V774 WeakPolarHBondContact O-CG1 3.22Å; V731-V777 HydrophobicContact CG2-CG1 4.16Å
732	R	90.6	Very high	87.3	Confident	69 Å²	69	33.3 Å²	33.3	26%	0.26	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	151.6	174.3	55.2	-174.3	-177.8	-118.6	-9.6	110.4	E330 V739 G741	E330-R732 HydrophobicContact CG-CB 3.9Å; E330-R732 HydrophobicContact CG-CG 4.31Å; E330-R732 IonicContact OE1-CZ 3.74Å; E330-R732 IonicContact OE1-NH1 3.26Å; E330-R732 PolarHBondContact OE1-NH1 2.92Å; R732-V739 HydrophobicContact CG-CB 4.48Å; R732-V739 PolarHBondContact N-O 3.3Å; R732-V739 PolarHBondContact O-N 3.4Å; R732-G741 VanDerWaalsContact NH1-CA 3.27Å; R732-G741 PolarHBondContact NH1-O 2.83Å
733	N	91.5	Very high	87.7	Confident	18 Å²	18	33.8 Å²	33.8	10%	0.096	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132.3	171.8	-82	123.9	0	0	0	110.9	H328 A737 K772 T773 V774	H328-N733 PolarHBondContact ND1-O 3.45Å; H328-N733 VanDerWaalsContact ND1-O 3.12Å; N733-A737 WeakPolarHBondContact CA-O 3.26Å; N733-A737 PolarHBondContact ND2-O 3.14Å; N733-A737 VanDerWaalsContact ND2-O 3.12Å; N733-K772 PolarHBondContact ND2-O 2.94Å; N733-T773 WeakPolarHBondContact OD1-CA 3.25Å; N733-V774 HydrophobicContact CB-CG2 4.18Å; N733-V774 WeakPolarHBondContact OD1-CG2 3.36Å; N733-V774 PolarHBondContact OD1-N 2.75Å
734	E	87.8	Confident	88.3	Confident	125 Å²	125	31 Å²	31	58%	0.584	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	86	170.6	-164.4	172.3	154.6	0	0	108.8	E736 A737 V739	E734-E736 PolarHBondContact O-N 3Å; E734-A737 HydrophobicContact CB-CB 4.47Å; E734-A737 PolarHBondContact N-O 2.91Å; E734-A737 WeakPolarHBondContact O-CB 3.24Å; E734-A737 PolarHBondContact O-N 3.37Å; E734-V739 HydrophobicContact CB-CG2 3.97Å
735	G	86.8	Confident	89	Confident	61 Å²	61	28.6 Å²	28.6	63%	0.629	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	-115.9	-168.3	0	0	0	0	0	111.4
736	E	85.1	Confident	89.4	Confident	84 Å²	84	25.3 Å²	25.3	39%	0.393	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-7.5	175.2	-66.6	171.8	-173.3	0	0	112.9	R564 E734 R770 G771	R564-E736 IonicContact NH2-OE1 2.66Å; E734-E736 PolarHBondContact O-N 3Å; E736-R770 WeakPolarHBondContact O-CG 3.43Å; E736-R770 IonicContact OE2-CZ 3.15Å; E736-R770 IonicContact OE2-NH1 3.5Å; E736-R770 PolarHBondContact OE2-NH1 2.89Å; E736-R770 IonicContact OE2-NH2 2.76Å; E736-R770 PolarHBondContact OE2-NH2 2.59Å; E736-G771 PolarHBondContact O-N 3.14Å
737	A	86.1	Confident	89.7	Confident	15 Å²	15	24.5 Å²	24.5	12%	0.124	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	154.1	-180	0	0	0	0	0	112	N733 E734 V739 E760	N733-A737 WeakPolarHBondContact CA-O 3.26Å; N733-A737 PolarHBondContact ND2-O 3.14Å; N733-A737 VanDerWaalsContact ND2-O 3.12Å; E734-A737 HydrophobicContact CB-CB 4.47Å; E734-A737 PolarHBondContact N-O 2.91Å; E734-A737 WeakPolarHBondContact O-CB 3.24Å; E734-A737 PolarHBondContact O-N 3.37Å; A737-V739 HydrophobicContact CB-CG2 4.13Å; A737-E760 HydrophobicContact CB-CG 4.15Å; A737-E760 WeakPolarHBondContact CB-OE1 3.42Å
738	V	90.9	Very high	89.8	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.7	169.4	175.7	0	0	0	0	106.5	V731 I761 L769 V777	V731-V738 HydrophobicContact CB-CG1 4.3Å; V731-V738 HydrophobicContact CG1-CG1 4.12Å; V738-I761 HydrophobicContact CG1-CD1 4.41Å; V738-I761 PolarHBondContact O-N 3.31Å; V738-L769 HydrophobicContact CB-CB 4.47Å; V738-L769 HydrophobicContact CG1-CD1 4.31Å; V738-L769 HydrophobicContact CG2-CB 4.23Å; V738-V777 HydrophobicContact CG1-CG1 4.15Å; V738-V777 HydrophobicContact CG1-CG2 4.11Å; V738-V777 HydrophobicContact CG2-CG2 3.93Å
739	V	91.8	Very high	89.8	Confident	8 Å²	8	25.4 Å²	25.4	5%	0.048	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.7	-171.2	-177.3	0	0	0	0	109.4	V731 R732 E734 A737 G741 D759	V731-V739 WeakPolarHBondContact CA-O 3.4Å; R732-V739 HydrophobicContact CG-CB 4.48Å; R732-V739 PolarHBondContact N-O 3.3Å; R732-V739 PolarHBondContact O-N 3.4Å; E734-V739 HydrophobicContact CB-CG2 3.97Å; A737-V739 HydrophobicContact CB-CG2 4.13Å; V739-G741 PolarHBondContact O-N 2.67Å; V739-G741 VanDerWaalsContact O-N 3.13Å; V739-D759 WeakPolarHBondContact CA-O 3.31Å
740	I	92.4	Very high	89.7	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	116.9	170.4	-63.6	-70.1	0	0	0	108.3	A729 V731 I743 L755 H756 G758 D759 I761	A729-I740 HydrophobicContact CB-CD1 4.32Å; V731-I740 HydrophobicContact CG1-CD1 4.32Å; I740-I743 HydrophobicContact CG2-CD1 3.79Å; I740-L755 HydrophobicContact CD1-CD1 4.08Å; I740-L755 HydrophobicContact CD1-CD2 4.01Å; I740-L755 HydrophobicContact CD1-CG 4.49Å; I740-L755 HydrophobicContact CG1-CD2 4.06Å; I740-H756 WeakPolarHBondContact CB-O 3.24Å; I740-H756 WeakPolarHBondContact CG2-O 3.46Å; I740-G758 PolarHBondContact O-N 2.91Å; I740-D759 HydrophobicContact CG1-CB 4.14Å; I740-D759 PolarHBondContact N-O 3.25Å; I740-I761 HydrophobicContact CD1-CD1 3.76Å; I740-I761 HydrophobicContact CD1-CG1 4.26Å; I740-I761 HydrophobicContact CG1-CD1 4.35Å; I740-I761 HydrophobicContact CG1-CG1 4.32Å
741	G	88.8	Confident	89.6	Confident	3 Å²	3	35.6 Å²	35.6	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-54.2	178.2	0	0	0	0	0	111.2	E330 T730 R732 V739	E330-G741 WeakPolarHBondContact OE1-CA 3.49Å; T730-G741 PolarHBondContact O-N 3.2Å; T730-G741 WeakPolarHBondContact OG1-CA 3.37Å; R732-G741 VanDerWaalsContact NH1-CA 3.27Å; R732-G741 PolarHBondContact NH1-O 2.83Å; V739-G741 PolarHBondContact O-N 2.67Å; V739-G741 VanDerWaalsContact O-N 3.13Å
742	R	91.1	Very high	89.4	Confident	15 Å²	15	37.5 Å²	37.5	6%	0.057	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	151	-168.7	-168.9	-179	-59.9	-84.6	-5.8	111.4	E330 A729 T730 E757 D863	E330-R742 IonicContact OE2-NE 2.74Å; A729-R742 CarbonylContact C-O 3.47Å; A729-R742 VanDerWaalsContact CA-O 3.3Å; A729-R742 WeakPolarHBondContact CA-O 3.5Å; T730-R742 HydrophobicContact CG2-CB 4.25Å; T730-R742 PolarHBondContact N-O 2.9Å; T730-R742 VanDerWaalsContact OG1-CB 3.22Å; T730-R742 WeakPolarHBondContact OG1-CB 3.33Å; T730-R742 PolarHBondContact OG1-N 3.24Å; R742-E757 VanDerWaalsContact CA-OE1 3.22Å; R742-E757 WeakPolarHBondContact CA-OE1 3.27Å; R742-E757 WeakPolarHBondContact CG-OE1 3.42Å; R742-D863 IonicContact CZ-OD2 3.82Å; R742-D863 VanDerWaalsContact NH1-CB 3.34Å; R742-D863 IonicContact NH1-OD2 2.59Å; R742-D863 PolarHBondContact NH1-OD2 3.49Å; R742-D863 IonicContact NH2-OD2 2.75Å; R742-D863 PolarHBondContact NH2-OD2 3.35Å
743	I	92.4	Very high	89.2	Confident	21 Å²	21	36.4 Å²	36.4	11%	0.108	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.1	167.8	-57.8	-59.2	0	0	0	109.7	A729 I740 A749 E750 L755 E757 Q868	A729-I743 HydrophobicContact CB-CD1 4.19Å; I740-I743 HydrophobicContact CG2-CD1 3.79Å; I743-A749 HydrophobicContact CD1-CB 4.34Å; I743-E750 HydrophobicContact CG2-CB 3.83Å; I743-E750 HydrophobicContact CG2-CG 4.4Å; I743-L755 HydrophobicContact CD1-CB 3.86Å; I743-E757 HydrophobicContact CG1-CG 4.01Å; I743-E757 PolarHBondContact N-OE1 3.25Å; I743-Q868 PolarHBondContact O-NE2 3.18Å
744	V	92.5	Very high	89	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.018	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-94.6	122.7	-178.9	-171.8	0	0	0	0	109.9	G728 G747 L846 L879 A880	G728-V744 WeakPolarHBondContact O-CA 3.43Å; G728-V744 WeakPolarHBondContact O-CB 3.41Å; G728-V744 PolarHBondContact O-N 2.66Å; V744-G747 PolarHBondContact O-N 2.93Å; V744-G747 VanDerWaalsContact O-N 3.15Å; V744-L846 HydrophobicContact CG1-CD2 4.44Å; V744-L846 HydrophobicContact CG2-CD1 3.63Å; V744-L846 HydrophobicContact CG2-CD2 4.39Å; V744-L879 HydrophobicContact CG1-CB 4.09Å; V744-L879 HydrophobicContact CG1-CD1 4.28Å; V744-L879 HydrophobicContact CG1-CD2 4.29Å; V744-L879 HydrophobicContact CG1-CG 4.47Å; V744-A880 VanDerWaalsContact CG1-O 3.32Å; V744-A880 WeakPolarHBondContact CG1-O 3.34Å
745	R	90.7	Very high	89.1	Confident	72 Å²	72	33.2 Å²	33.2	27%	0.272	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	142.5	179	-63.6	-66.5	179.9	173.5	-4.4	111.2	G747 E750 I859 E862 A880	R745-G747 VanDerWaalsContact C-N 3.26Å; R745-E750 WeakPolarHBondContact CA-OE2 3.22Å; R745-E750 VanDerWaalsContact CD-CD 3.41Å; R745-E750 WeakPolarHBondContact CD-OE1 3.33Å; R745-E750 IonicContact CZ-OE1 2.73Å; R745-E750 IonicContact NE-OE1 2.66Å; R745-E750 IonicContact NH1-OE1 3.09Å; R745-E750 PolarHBondContact NH1-OE1 3.4Å; R745-I859 HydrophobicContact CB-CD1 3.39Å; R745-I859 HydrophobicContact CB-CG1 4.3Å; R745-I859 HydrophobicContact CG-CD1 4.02Å; R745-I859 HydrophobicContact CG-CG1 4.44Å; R745-E862 IonicContact CZ-OE2 3.31Å; R745-E862 IonicContact NE-OE2 2.95Å; R745-E862 PolarHBondContact NE-OE2 2.9Å; R745-E862 IonicContact NH2-OE1 2.82Å; R745-E862 PolarHBondContact NH2-OE1 3.42Å; R745-E862 IonicContact NH2-OE2 3.93Å; R745-E862 PolarHBondContact NH2-OE2 3.07Å; R745-A880 HydrophobicContact CB-CB 4.24Å; R745-A880 PolarHBondContact O-N 3.01Å
746	G	86.6	Confident	89.3	Confident	11 Å²	11	33.3 Å²	33.3	11%	0.113	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	-13.6	-169.4	0	0	0	0	0	114.1	E750 K751	G746-E750 PolarHBondContact N-OE2 2.86Å; G746-K751 WeakPolarHBondContact O-CE 3.48Å; G746-K751 PolarHBondContact O-NZ 2.79Å
747	G	88.5	Confident	89.5	Confident	2 Å²	2	34 Å²	34	2%	0.021	18%	0.184	C	C	.	.	S	Bend	trans	-75.4	163.2	-177.6	0	0	0	0	0	115.8	L727 V744 R745 A749 E750 K751	L727-G747 CarbonylContact O-C 3.59Å; V744-G747 PolarHBondContact O-N 2.93Å; V744-G747 VanDerWaalsContact O-N 3.15Å; R745-G747 VanDerWaalsContact C-N 3.26Å; G747-A749 VanDerWaalsContact C-N 3.29Å; G747-A749 PolarHBondContact O-N 2.9Å; G747-E750 PolarHBondContact O-N 3.45Å; G747-K751 WeakPolarHBondContact O-CB 3.42Å; G747-K751 WeakPolarHBondContact O-CD 3.5Å; G747-K751 VanDerWaalsContact O-CG 3.24Å; G747-K751 WeakPolarHBondContact O-CG 3.45Å; G747-K751 PolarHBondContact O-N 3.08Å
748	A	88	Confident	89.7	Confident	23 Å²	23	34.5 Å²	34.5	19%	0.19	19%	0.19	C	C	.	.	H	α-helix	trans	-64.4	-33.4	171.7	0	0	0	0	0	112.4	I720 L727 S752	I720-A748 HydrophobicContact CG2-CB 4.23Å; L727-A748 HydrophobicContact CD1-CB 4.3Å; L727-A748 PolarHBondContact O-N 3.09Å; A748-S752 WeakPolarHBondContact O-CB 3.38Å; A748-S752 PolarHBondContact O-N 3.28Å
749	A	90.1	Very high	89.7	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.4	-54.1	173.3	0	0	0	0	0	111.3	L727 A729 I743 G747 K751 S752 G753 L755	L727-A749 HydrophobicContact CG-CB 4.27Å; L727-A749 WeakPolarHBondContact O-CB 3.44Å; L727-A749 PolarHBondContact O-N 3.45Å; A729-A749 HydrophobicContact CB-CB 4.19Å; I743-A749 HydrophobicContact CD1-CB 4.34Å; G747-A749 VanDerWaalsContact C-N 3.29Å; G747-A749 PolarHBondContact O-N 2.9Å; A749-K751 PolarHBondContact O-N 3.04Å; A749-S752 PolarHBondContact O-N 3.43Å; A749-S752 PolarHBondContact O-OG 2.84Å; A749-G753 PolarHBondContact O-N 3.21Å; A749-L755 HydrophobicContact CB-CD1 4.23Å
750	E	89.6	Confident	89.7	Confident	61 Å²	61	36.7 Å²	36.7	29%	0.285	20%	0.2	S	C	.	.	H	α-helix	trans	-57.3	-51.5	175.8	-170.8	-147.5	-176	0	0	111.3	I743 R745 G746 G747 S752 G753	I743-E750 HydrophobicContact CG2-CB 3.83Å; I743-E750 HydrophobicContact CG2-CG 4.4Å; R745-E750 WeakPolarHBondContact CA-OE2 3.22Å; R745-E750 VanDerWaalsContact CD-CD 3.41Å; R745-E750 WeakPolarHBondContact CD-OE1 3.33Å; R745-E750 IonicContact CZ-OE1 2.73Å; R745-E750 IonicContact NE-OE1 2.66Å; R745-E750 IonicContact NH1-OE1 3.09Å; R745-E750 PolarHBondContact NH1-OE1 3.4Å; G746-E750 PolarHBondContact N-OE2 2.86Å; G747-E750 PolarHBondContact O-N 3.45Å; E750-S752 PolarHBondContact O-N 3.02Å; E750-S752 VanDerWaalsContact O-N 3.12Å; E750-G753 PolarHBondContact O-N 3Å
751	K	87.8	Confident	89.6	Confident	153 Å²	153	36.7 Å²	36.7	67%	0.665	20%	0.2	S	C	*	.	H	α-helix	trans	-59.3	-25.2	-179.5	-72.1	163.6	178.6	160	0	113.2	G746 G747 A749	G746-K751 WeakPolarHBondContact O-CE 3.48Å; G746-K751 PolarHBondContact O-NZ 2.79Å; G747-K751 WeakPolarHBondContact O-CB 3.42Å; G747-K751 WeakPolarHBondContact O-CD 3.5Å; G747-K751 VanDerWaalsContact O-CG 3.24Å; G747-K751 WeakPolarHBondContact O-CG 3.45Å; G747-K751 PolarHBondContact O-N 3.08Å; A749-K751 PolarHBondContact O-N 3.04Å
752	S	87.8	Confident	89.7	Confident	40 Å²	40	38.1 Å²	38.1	28%	0.28	21%	0.207	S	C	.	.	H	α-helix	trans	-79.4	-33.6	174.8	79.3	0	0	0	0	113.6	I720 A748 A749 E750 L754	I720-S752 WeakPolarHBondContact CD1-OG 3.45Å; A748-S752 WeakPolarHBondContact O-CB 3.38Å; A748-S752 PolarHBondContact O-N 3.28Å; A749-S752 PolarHBondContact O-N 3.43Å; A749-S752 PolarHBondContact O-OG 2.84Å; E750-S752 PolarHBondContact O-N 3.02Å; E750-S752 VanDerWaalsContact O-N 3.12Å; S752-L754 PolarHBondContact O-N 3.45Å; S752-L754 PolarHBondContact OG-N 2.97Å; S752-L754 VanDerWaalsContact OG-N 3.12Å
753	G	87.1	Confident	89.7	Confident	47 Å²	47	41 Å²	41	49%	0.485	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	16.4	-169.5	0	0	0	0	0	114.9	A749 E750 H756	A749-G753 PolarHBondContact O-N 3.21Å; E750-G753 PolarHBondContact O-N 3Å; G753-H756 PolarHBondContact O-CE1 3.14Å
754	L	87.9	Confident	89.6	Confident	69 Å²	69	40 Å²	40	36%	0.361	22%	0.216	S	C	.	.			trans	-97.2	-25.3	-174.6	-59.7	-176.1	0	0	0	114.2	I718 Q719 I720 S752	I718-L754 HydrophobicContact CB-CB 4.1Å; I718-L754 HydrophobicContact CB-CD1 4.1Å; I718-L754 HydrophobicContact CD1-CB 3.89Å; I718-L754 HydrophobicContact CG2-CB 4.14Å; Q719-L754 WeakPolarHBondContact O-CD1 3.25Å; I720-L754 HydrophobicContact CD1-CB 4.49Å; I720-L754 HydrophobicContact CG1-CD1 4.35Å; S752-L754 PolarHBondContact O-N 3.45Å; S752-L754 PolarHBondContact OG-N 2.97Å; S752-L754 VanDerWaalsContact OG-N 3.12Å
755	L	90.3	Very high	89.5	Confident	6 Å²	6	43.5 Å²	43.5	3%	0.031	23%	0.234	C	C	.	.			trans	-102.9	139.4	174.7	-74.5	170.2	0	0	0	110.5	I718 I720 L727 I740 I743 A749 I792	I718-L755 HydrophobicContact CD1-CD2 3.53Å; I718-L755 HydrophobicContact CD1-CG 3.65Å; I720-L755 HydrophobicContact CD1-CD1 3.6Å; I720-L755 HydrophobicContact CD1-CG 3.82Å; L727-L755 HydrophobicContact CD2-CD1 4.14Å; I740-L755 HydrophobicContact CD1-CD1 4.08Å; I740-L755 HydrophobicContact CD1-CD2 4.01Å; I740-L755 HydrophobicContact CD1-CG 4.49Å; I740-L755 HydrophobicContact CG1-CD2 4.06Å; I743-L755 HydrophobicContact CD1-CB 3.86Å; A749-L755 HydrophobicContact CB-CD1 4.23Å; L755-I792 HydrophobicContact CD2-CG2 4.23Å
756	H	89.4	Confident	89.1	Confident	64 Å²	64	43.1 Å²	43.1	30%	0.296	25%	0.252	S	S	.	.			trans	-127.1	158.2	177.7	-57	72.2	0	0	0	110.5	I740 G753 G758 D759	I740-H756 WeakPolarHBondContact CB-O 3.24Å; I740-H756 WeakPolarHBondContact CG2-O 3.46Å; G753-H756 PolarHBondContact O-CE1 3.14Å; H756-G758 PolarHBondContact O-N 3.16Å; H756-D759 PolarHBondContact N-OD2 3.39Å; H756-D759 IonicContact ND1-OD2 2.69Å; H756-D759 WeakPolarHBondContact O-CB 3.26Å; H756-D759 PolarHBondContact O-N 3.15Å
757	E	90.5	Very high	89.1	Confident	98 Å²	98	46.9 Å²	46.9	46%	0.458	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	128.1	177.4	-53.1	-169.5	158.6	0	0	110	R742 I743	R742-E757 VanDerWaalsContact CA-OE1 3.22Å; R742-E757 WeakPolarHBondContact CA-OE1 3.27Å; R742-E757 WeakPolarHBondContact CG-OE1 3.42Å; I743-E757 HydrophobicContact CG1-CG 4.01Å; I743-E757 PolarHBondContact N-OE1 3.25Å
758	G	88.8	Confident	89.1	Confident	25 Å²	25	50.9 Å²	50.9	26%	0.258	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	-3	-172.9	0	0	0	0	0	116.2	I740 H756 E760	I740-G758 PolarHBondContact O-N 2.91Å; H756-G758 PolarHBondContact O-N 3.16Å; G758-E760 PolarHBondContact O-N 3.15Å
759	D	91.1	Very high	89	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.021	28%	0.276	C	S	.	.			trans	-66.8	126.9	173.5	-71.4	-16.6	0	0	0	110.8	V739 I740 H756 I792 P794 A795	V739-D759 WeakPolarHBondContact CA-O 3.31Å; I740-D759 HydrophobicContact CG1-CB 4.14Å; I740-D759 PolarHBondContact N-O 3.25Å; H756-D759 PolarHBondContact N-OD2 3.39Å; H756-D759 IonicContact ND1-OD2 2.69Å; H756-D759 WeakPolarHBondContact O-CB 3.26Å; H756-D759 PolarHBondContact O-N 3.15Å; D759-I792 HydrophobicContact CB-CD1 4.39Å; D759-P794 WeakPolarHBondContact OD1-CA 3.38Å; D759-A795 PolarHBondContact OD1-N 3.36Å
760	E	91.6	Very high	88.7	Confident	52 Å²	52	55 Å²	55	24%	0.243	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126.4	174.3	177.4	-176.1	-163.6	0	0	109.9	A737 G758 L762 I792 V793	A737-E760 HydrophobicContact CB-CG 4.15Å; A737-E760 WeakPolarHBondContact CB-OE1 3.42Å; G758-E760 PolarHBondContact O-N 3.15Å; E760-L762 HydrophobicContact CG-CD2 4.14Å; E760-I792 CarbonylContact O-C 3.46Å; E760-I792 WeakPolarHBondContact O-CA 3.31Å; E760-I792 WeakPolarHBondContact O-CB 3.46Å; E760-V793 HydrophobicContact CB-CB 4.18Å; E760-V793 PolarHBondContact N-O 2.9Å; E760-V793 PolarHBondContact O-N 2.92Å
761	I	91.8	Very high	88.3	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	114.2	175.5	-41.7	175.4	0	0	0	109.7	V731 V738 I740 V764 L769 F790	V731-I761 HydrophobicContact CG1-CD1 3.94Å; V738-I761 HydrophobicContact CG1-CD1 4.41Å; V738-I761 PolarHBondContact O-N 3.31Å; I740-I761 HydrophobicContact CD1-CD1 3.76Å; I740-I761 HydrophobicContact CD1-CG1 4.26Å; I740-I761 HydrophobicContact CG1-CD1 4.35Å; I740-I761 HydrophobicContact CG1-CG1 4.32Å; I761-V764 HydrophobicContact CG2-CG2 3.87Å; I761-L769 HydrophobicContact CB-CD1 4.11Å; I761-L769 HydrophobicContact CG2-CD1 3.71Å; I761-L769 HydrophobicContact CG2-CG 4.4Å; I761-F790 HydrophobicContact CG2-CD1 3.98Å
762	L	90.2	Very high	88.3	Confident	32 Å²	32	49.9 Å²	49.9	17%	0.168	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-45.9	176.5	-59.4	179	0	0	0	111.8	I715 E760 L769 L791 V793	I715-L762 HydrophobicContact CD1-CD1 4.05Å; I715-L762 HydrophobicContact CG1-CD1 4.31Å; I715-L762 HydrophobicContact CG2-CD1 4.35Å; E760-L762 HydrophobicContact CG-CD2 4.14Å; L762-L769 PolarHBondContact O-N 3.25Å; L762-L791 HydrophobicContact CB-CB 4.39Å; L762-L791 HydrophobicContact CB-CD2 4.07Å; L762-L791 HydrophobicContact CB-CG 4.38Å; L762-L791 WeakPolarHBondContact CB-O 3.42Å; L762-L791 HydrophobicContact CD1-CD2 4.15Å; L762-L791 HydrophobicContact CD1-CG 4.44Å; L762-L791 PolarHBondContact N-O 2.96Å; L762-V793 HydrophobicContact CD1-CG2 3.72Å; L762-V793 HydrophobicContact CD2-CG2 4.15Å; L762-V793 HydrophobicContact CG-CG2 3.98Å
763	E	91	Very high	88.4	Confident	76 Å²	76	51 Å²	51	36%	0.355	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	153.8	-176.9	-53.1	-177.1	-176.4	0	0	112.7	Q767 F790 L791	E763-Q767 CarbonylContact C-O 3.6Å; E763-Q767 WeakPolarHBondContact CA-O 3.32Å; E763-F790 WeakPolarHBondContact O-CA 3.45Å; E763-L791 HydrophobicContact CB-CB 3.82Å; E763-L791 HydrophobicContact CB-CD2 4.4Å; E763-L791 HydrophobicContact CG-CB 4.26Å; E763-L791 HydrophobicContact CG-CD2 3.9Å; E763-L791 PolarHBondContact N-O 3.15Å; E763-L791 PolarHBondContact O-N 3.02Å
764	V	90.9	Very high	88.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	123.5	167.2	-168.7	0	0	0	0	110.1	I761 G766 Q767 L769 L781 M784 L788 T789 F790	I761-V764 HydrophobicContact CG2-CG2 3.87Å; V764-G766 PolarHBondContact O-N 3.21Å; V764-G766 VanDerWaalsContact O-N 3.13Å; V764-Q767 PolarHBondContact N-O 2.93Å; V764-Q767 PolarHBondContact O-N 3.43Å; V764-L769 HydrophobicContact CG2-CD1 3.71Å; V764-L769 HydrophobicContact CG2-CD2 4.39Å; V764-L769 HydrophobicContact CG2-CG 4.05Å; V764-L781 HydrophobicContact CG1-CD2 4.04Å; V764-L781 HydrophobicContact CG2-CD2 4.47Å; V764-M784 HydrophobicContact CG1-CE 3.89Å; V764-L788 HydrophobicContact CG1-CB 4.4Å; V764-T789 WeakPolarHBondContact CA-O 3.22Å; V764-F790 HydrophobicContact CB-CD1 4.45Å; V764-F790 HydrophobicContact CG1-CD1 4.16Å; V764-F790 HydrophobicContact CG1-CE1 4.05Å; V764-F790 HydrophobicContact CG1-CZ 4.37Å; V764-F790 HydrophobicContact CG2-CD1 3.54Å; V764-F790 HydrophobicContact CG2-CE1 3.77Å; V764-F790 HydrophobicContact CG2-CG 4.41Å
765	N	89.3	Confident	88.4	Confident	77 Å²	77	51.1 Å²	51.1	41%	0.412	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.4	40.3	-173.3	-73.7	-15	0	0	0	113.6	M784 T787 T789	N765-M784 HydrophobicContact CB-CE 3.67Å; N765-T787 PolarHBondContact ND2-O 2.96Å; N765-T787 VanDerWaalsContact ND2-O 3.14Å; N765-T789 PolarHBondContact N-O 3.35Å; N765-T789 WeakPolarHBondContact OD1-CB 3.47Å; N765-T789 PolarHBondContact OD1-N 2.88Å; N765-T789 PolarHBondContact OD1-OG1 2.96Å
766	G	82.1	Confident	88.3	Confident	63 Å²	63	55.7 Å²	55.7	65%	0.649	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	13.1	179.3	0	0	0	0	0	115.4	V764	V764-G766 PolarHBondContact O-N 3.21Å; V764-G766 VanDerWaalsContact O-N 3.13Å
767	Q	86.6	Confident	88.3	Confident	91 Å²	91	52.6 Å²	52.6	43%	0.425	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.8	167.1	-62.2	-162.5	29.5	0	0	111.1	E763 V764 L769 L780	E763-Q767 CarbonylContact C-O 3.6Å; E763-Q767 WeakPolarHBondContact CA-O 3.32Å; V764-Q767 PolarHBondContact N-O 2.93Å; V764-Q767 PolarHBondContact O-N 3.43Å; Q767-L769 PolarHBondContact O-N 3.1Å; Q767-L780 HydrophobicContact CB-CD2 4.36Å
768	E	88.8	Confident	88.1	Confident	85 Å²	85	48.8 Å²	48.8	40%	0.397	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	126.7	170.6	-168.5	168.9	-169.2	0	0	109.9	R562 R770 K772	R562-E768 IonicContact CZ-OE2 3.71Å; R562-E768 IonicContact NH1-OE1 2.69Å; R562-E768 PolarHBondContact NH1-OE1 3.41Å; R562-E768 IonicContact NH1-OE2 3.41Å; R562-E768 PolarHBondContact NH1-OE2 2.66Å; E768-R770 HydrophobicContact CG-CB 4.04Å; E768-K772 WeakPolarHBondContact O-CE 3.3Å; E768-K772 PolarHBondContact O-NZ 3.13Å
769	L	85.9	Confident	87.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.289	C	S	.	.			trans	-96.6	-19.4	173.7	-66.2	-158.2	0	0	0	112.8	V738 I761 L762 V764 Q767 G771 K772 V777 L780	V738-L769 HydrophobicContact CB-CB 4.47Å; V738-L769 HydrophobicContact CG1-CD1 4.31Å; V738-L769 HydrophobicContact CG2-CB 4.23Å; I761-L769 HydrophobicContact CB-CD1 4.11Å; I761-L769 HydrophobicContact CG2-CD1 3.71Å; I761-L769 HydrophobicContact CG2-CG 4.4Å; L762-L769 PolarHBondContact O-N 3.25Å; V764-L769 HydrophobicContact CG2-CD1 3.71Å; V764-L769 HydrophobicContact CG2-CD2 4.39Å; V764-L769 HydrophobicContact CG2-CG 4.05Å; Q767-L769 PolarHBondContact O-N 3.1Å; L769-G771 PolarHBondContact O-N 2.95Å; L769-K772 HydrophobicContact CD2-CD 4.21Å; L769-K772 WeakPolarHBondContact O-CB 3.34Å; L769-K772 PolarHBondContact O-N 2.82Å; L769-V777 HydrophobicContact CD1-CG1 3.98Å; L769-V777 HydrophobicContact CD1-CG2 4.27Å; L769-L780 HydrophobicContact CD2-CD2 3.73Å
770	R	85.4	Confident	87.8	Confident	109 Å²	109	52.1 Å²	52.1	41%	0.411	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	126.7	-177.6	-162.2	175.9	-175.8	-69.6	-15.7	111.1	E736 E768 K772	E736-R770 WeakPolarHBondContact O-CG 3.43Å; E736-R770 IonicContact OE2-CZ 3.15Å; E736-R770 IonicContact OE2-NH1 3.5Å; E736-R770 PolarHBondContact OE2-NH1 2.89Å; E736-R770 IonicContact OE2-NH2 2.76Å; E736-R770 PolarHBondContact OE2-NH2 2.59Å; E768-R770 HydrophobicContact CG-CB 4.04Å; R770-K772 VanDerWaalsContact C-N 3.32Å; R770-K772 PolarHBondContact O-N 2.81Å
771	G	81.3	Confident	87.6	Confident	55 Å²	55	49.7 Å²	49.7	57%	0.567	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-0.9	-176.6	0	0	0	0	0	116.1	E736 L769	E736-G771 PolarHBondContact O-N 3.14Å; L769-G771 PolarHBondContact O-N 2.95Å
772	K	87.6	Confident	87.2	Confident	52 Å²	52	51.3 Å²	51.3	23%	0.226	30%	0.302	C	S	.	.			trans	-78.9	148.1	168	-67.2	-179.2	179.2	152.5	0	110.7	N733 E768 L769 R770 E776 V777	N733-K772 PolarHBondContact ND2-O 2.94Å; E768-K772 WeakPolarHBondContact O-CE 3.3Å; E768-K772 PolarHBondContact O-NZ 3.13Å; L769-K772 HydrophobicContact CD2-CD 4.21Å; L769-K772 WeakPolarHBondContact O-CB 3.34Å; L769-K772 PolarHBondContact O-N 2.82Å; R770-K772 VanDerWaalsContact C-N 3.32Å; R770-K772 PolarHBondContact O-N 2.81Å; K772-E776 HydrophobicContact CB-CB 4.34Å; K772-V777 HydrophobicContact CB-CG2 4Å
773	T	88.7	Confident	87	Confident	64 Å²	64	53.9 Å²	53.9	39%	0.393	33%	0.328	S	S	.	.			trans	-74.7	153.9	171.6	65.1	0	0	0	0	111.2	N733 N775 E776 V777	N733-T773 WeakPolarHBondContact OD1-CA 3.25Å; T773-N775 PolarHBondContact O-N 2.9Å; T773-E776 WeakPolarHBondContact CB-OE2 3.41Å; T773-E776 WeakPolarHBondContact CG2-OE2 3.41Å; T773-E776 PolarHBondContact N-OE2 3.41Å; T773-E776 PolarHBondContact O-N 2.83Å; T773-E776 WeakPolarHBondContact OG1-CG 3.17Å; T773-E776 PolarHBondContact OG1-N 2.87Å; T773-E776 PolarHBondContact OG1-OE2 2.94Å; T773-V777 WeakPolarHBondContact O-CG2 3.5Å; T773-V777 PolarHBondContact O-N 2.88Å
774	V	86.6	Confident	86.8	Confident	11 Å²	11	51.6 Å²	51.6	7%	0.067	32%	0.318	C	S	.	.	H	α-helix	trans	-52.7	-39.4	176.9	-157.1	0	0	0	0	112.2	M331 V731 N733 E776 V777 C778	M331-V774 HydrophobicContact CB-CG1 3.68Å; M331-V774 HydrophobicContact CG-CB 4.29Å; M331-V774 HydrophobicContact CG-CG1 3.81Å; M331-V774 HydrophobicContact SD-CB 3.78Å; M331-V774 HydrophobicContact SD-CG1 3.83Å; V731-V774 HydrophobicContact CB-CG1 4.25Å; V731-V774 HydrophobicContact CG2-CG1 3.6Å; V731-V774 WeakPolarHBondContact O-CG1 3.22Å; N733-V774 HydrophobicContact CB-CG2 4.18Å; N733-V774 WeakPolarHBondContact OD1-CG2 3.36Å; N733-V774 PolarHBondContact OD1-N 2.75Å; V774-E776 PolarHBondContact O-N 3.1Å; V774-V777 WeakPolarHBondContact O-CB 3.25Å; V774-V777 PolarHBondContact O-N 2.75Å; V774-C778 PolarHBondContact O-N 3.4Å; V774-C778 PolarHBondContact O-SG 3.02Å
775	N	88.4	Confident	86.5	Confident	107 Å²	107	58 Å²	58	57%	0.572	35%	0.348	S	S	*	.	H	α-helix	trans	-57.2	-45.7	175.8	-65.6	-61.2	0	0	0	112.8	M331 T773 A779	M331-N775 WeakPolarHBondContact CE-OD1 3.08Å; M331-N775 PolarHBondContact SD-OD1 3.48Å; T773-N775 PolarHBondContact O-N 2.9Å; N775-A779 WeakPolarHBondContact O-CB 3.45Å; N775-A779 PolarHBondContact O-N 3.42Å
776	E	89.4	Confident	86.4	Confident	102 Å²	102	55.7 Å²	55.7	48%	0.477	34%	0.342	S	S	.	.	H	α-helix	trans	-70.4	-33.6	179.4	-67.2	163.4	119	0	0	111.8	K772 T773 V774 L780	K772-E776 HydrophobicContact CB-CB 4.34Å; T773-E776 WeakPolarHBondContact CB-OE2 3.41Å; T773-E776 WeakPolarHBondContact CG2-OE2 3.41Å; T773-E776 PolarHBondContact N-OE2 3.41Å; T773-E776 PolarHBondContact O-N 2.83Å; T773-E776 WeakPolarHBondContact OG1-CG 3.17Å; T773-E776 PolarHBondContact OG1-N 2.87Å; T773-E776 PolarHBondContact OG1-OE2 2.94Å; V774-E776 PolarHBondContact O-N 3.1Å; E776-L780 WeakPolarHBondContact O-CB 3.5Å; E776-L780 PolarHBondContact O-N 3.21Å
777	V	87.5	Confident	86.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.9	-48.1	174.3	172.4	0	0	0	0	110.6	V731 V738 L769 K772 T773 V774 L780 L781	V731-V777 HydrophobicContact CG2-CG1 4.16Å; V738-V777 HydrophobicContact CG1-CG1 4.15Å; V738-V777 HydrophobicContact CG1-CG2 4.11Å; V738-V777 HydrophobicContact CG2-CG2 3.93Å; L769-V777 HydrophobicContact CD1-CG1 3.98Å; L769-V777 HydrophobicContact CD1-CG2 4.27Å; K772-V777 HydrophobicContact CB-CG2 4Å; T773-V777 WeakPolarHBondContact O-CG2 3.5Å; T773-V777 PolarHBondContact O-N 2.88Å; V774-V777 WeakPolarHBondContact O-CB 3.25Å; V774-V777 PolarHBondContact O-N 2.75Å; V777-L780 PolarHBondContact O-N 2.96Å; V777-L781 HydrophobicContact CG1-CD1 3.63Å; V777-L781 WeakPolarHBondContact O-CB 3.46Å; V777-L781 PolarHBondContact O-N 2.82Å
778	C	86.3	Confident	86.9	Confident	17 Å²	17	52 Å²	52	12%	0.115	31%	0.313	C	S	.	.	H	α-helix	trans	-63.8	-42.3	176.3	-66.6	0	0	0	0	112.3	M331 A332 V333 V774 L780 G782	M331-C778 HydrophobicContact CE-CB 4.43Å; A332-C778 PolarHBondContact O-SG 3.5Å; V333-C778 WeakPolarHBondContact O-CA 3.28Å; V774-C778 PolarHBondContact O-N 3.4Å; V774-C778 PolarHBondContact O-SG 3.02Å; C778-L780 PolarHBondContact O-N 3.47Å; C778-G782 PolarHBondContact O-N 2.92Å
779	A	86	Confident	87	Confident	69 Å²	69	49.8 Å²	49.8	57%	0.57	31%	0.305	S	S	*	.	H	α-helix	trans	-65.5	-37.7	176.5	0	0	0	0	0	112.5	N775 A783	N775-A779 WeakPolarHBondContact O-CB 3.45Å; N775-A779 PolarHBondContact O-N 3.42Å; A779-A783 PolarHBondContact O-N 2.97Å
780	L	88.8	Confident	87.3	Confident	30 Å²	30	49.9 Å²	49.9	16%	0.157	31%	0.306	C	S	.	.	H	α-helix	trans	-66.9	-53	176.2	172.3	57.7	0	0	0	111.4	Q767 L769 E776 V777 C778 G782 A783 M784	Q767-L780 HydrophobicContact CB-CD2 4.36Å; L769-L780 HydrophobicContact CD2-CD2 3.73Å; E776-L780 WeakPolarHBondContact O-CB 3.5Å; E776-L780 PolarHBondContact O-N 3.21Å; V777-L780 PolarHBondContact O-N 2.96Å; C778-L780 PolarHBondContact O-N 3.47Å; L780-G782 VanDerWaalsContact C-N 3.29Å; L780-G782 PolarHBondContact O-N 2.88Å; L780-A783 PolarHBondContact O-N 3.36Å; L780-M784 HydrophobicContact CD1-CG 4.47Å; L780-M784 HydrophobicContact CD1-SD 3.75Å; L780-M784 HydrophobicContact CG-SD 3.89Å; L780-M784 VanDerWaalsContact O-CG 3.26Å; L780-M784 WeakPolarHBondContact O-CG 3.22Å; L780-M784 PolarHBondContact O-N 2.92Å
781	L	86.3	Confident	87.6	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-39.6	178.6	-77.9	153.2	0	0	0	110.9	V333 D334 K722 V764 V777 A783 M784 L788 F790	V333-L781 HydrophobicContact CG1-CB 3.75Å; V333-L781 HydrophobicContact CG1-CD1 3.58Å; V333-L781 HydrophobicContact CG1-CD2 4.3Å; V333-L781 HydrophobicContact CG1-CG 4.05Å; D334-L781 VanDerWaalsContact OD1-O 3.12Å; K722-L781 PolarHBondContact NZ-O 3.1Å; V764-L781 HydrophobicContact CG1-CD2 4.04Å; V764-L781 HydrophobicContact CG2-CD2 4.47Å; V777-L781 HydrophobicContact CG1-CD1 3.63Å; V777-L781 WeakPolarHBondContact O-CB 3.46Å; V777-L781 PolarHBondContact O-N 2.82Å; L781-A783 VanDerWaalsContact C-N 3.3Å; L781-A783 PolarHBondContact O-N 3.13Å; L781-M784 WeakPolarHBondContact O-CB 3.28Å; L781-M784 PolarHBondContact O-N 3.2Å; L781-L788 HydrophobicContact CD2-CD1 3.85Å; L781-F790 HydrophobicContact CD2-CE1 4.08Å; L781-F790 HydrophobicContact CD2-CZ 4.18Å
782	G	84.8	Confident	88.1	Confident	37 Å²	37	43.9 Å²	43.9	38%	0.381	27%	0.269	S	S	.	.	H	α-helix	trans	-55.2	-41.2	177	0	0	0	0	0	113.6	D334 C778 L780 M784	D334-G782 VanDerWaalsContact OD1-CA 3.22Å; D334-G782 WeakPolarHBondContact OD1-CA 3.41Å; D334-G782 PolarHBondContact OD1-N 2.83Å; C778-G782 PolarHBondContact O-N 2.92Å; L780-G782 VanDerWaalsContact C-N 3.29Å; L780-G782 PolarHBondContact O-N 2.88Å; G782-M784 VanDerWaalsContact C-N 3.29Å; G782-M784 PolarHBondContact O-N 3.44Å
783	A	85.4	Confident	88.1	Confident	86 Å²	86	43.6 Å²	43.6	71%	0.711	27%	0.271	S	S	*	.	H	α-helix	trans	-75.1	-12.4	176.8	0	0	0	0	0	114.4	A779 L780 L781	A779-A783 PolarHBondContact O-N 2.97Å; L780-A783 PolarHBondContact O-N 3.36Å; L781-A783 VanDerWaalsContact C-N 3.3Å; L781-A783 PolarHBondContact O-N 3.13Å
784	M	85.7	Confident	88	Confident	27 Å²	27	41.7 Å²	41.7	13%	0.133	26%	0.26	C	S	.	.			trans	-96.4	142.8	-177.5	-62.8	166.9	78.6	0	0	111.4	K722 V764 N765 L780 L781 G782 L788	K722-M784 WeakPolarHBondContact CD-O 3.32Å; K722-M784 WeakPolarHBondContact CE-O 3.47Å; K722-M784 PolarHBondContact NZ-O 3.21Å; V764-M784 HydrophobicContact CG1-CE 3.89Å; N765-M784 HydrophobicContact CB-CE 3.67Å; L780-M784 HydrophobicContact CD1-CG 4.47Å; L780-M784 HydrophobicContact CD1-SD 3.75Å; L780-M784 HydrophobicContact CG-SD 3.89Å; L780-M784 VanDerWaalsContact O-CG 3.26Å; L780-M784 WeakPolarHBondContact O-CG 3.22Å; L780-M784 PolarHBondContact O-N 2.92Å; L781-M784 WeakPolarHBondContact O-CB 3.28Å; L781-M784 PolarHBondContact O-N 3.2Å; G782-M784 VanDerWaalsContact C-N 3.29Å; G782-M784 PolarHBondContact O-N 3.44Å; M784-L788 HydrophobicContact CB-CD2 3.75Å; M784-L788 HydrophobicContact CE-CD2 3.98Å
785	Q	84.9	Confident	87.5	Confident	136 Å²	136	43.1 Å²	43.1	64%	0.636	27%	0.273	S	S	*	.			trans	-144.4	157.2	-179.2	-64.2	-179.5	0.6	0	0	109.9
786	G	87.1	Confident	86.1	Confident	28 Å²	28	41.4 Å²	41.4	29%	0.289	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	81.4	-151.1	-175	0	0	0	0	0	112.3	K722 L788	K722-G786 PolarHBondContact N-O 3.12Å; K722-G786 WeakPolarHBondContact O-CA 3.49Å; K722-G786 PolarHBondContact O-N 2.79Å; G786-L788 PolarHBondContact O-N 3.49Å
787	T	90.1	Very high	83.7	Confident	77 Å²	77	41.7 Å²	41.7	47%	0.472	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	115.1	-176	-43.5	0	0	0	0	112	Q719 N765	Q719-T787 HydrophobicContact CB-CG2 4.07Å; Q719-T787 HydrophobicContact CG-CG2 4.44Å; N765-T787 PolarHBondContact ND2-O 2.96Å; N765-T787 VanDerWaalsContact ND2-O 3.14Å
788	L	90.1	Very high	81.6	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	117.3	170.7	-57.3	-174.1	0	0	0	109.2	Q719 I720 K722 L727 V764 L781 M784 G786 F790	Q719-L788 WeakPolarHBondContact CA-O 3.49Å; I720-L788 PolarHBondContact N-O 2.78Å; I720-L788 PolarHBondContact O-N 2.69Å; K722-L788 HydrophobicContact CB-CD1 3.78Å; K722-L788 HydrophobicContact CB-CG 3.93Å; K722-L788 HydrophobicContact CD-CD1 3.9Å; K722-L788 HydrophobicContact CG-CD1 4.37Å; L727-L788 HydrophobicContact CD1-CD1 4.2Å; V764-L788 HydrophobicContact CG1-CB 4.4Å; L781-L788 HydrophobicContact CD2-CD1 3.85Å; M784-L788 HydrophobicContact CB-CD2 3.75Å; M784-L788 HydrophobicContact CE-CD2 3.98Å; G786-L788 PolarHBondContact O-N 3.49Å; L788-F790 HydrophobicContact CB-CD2 4.15Å; L788-F790 HydrophobicContact CB-CE2 3.43Å; L788-F790 VanDerWaalsContact CB-CE2 3.43Å; L788-F790 HydrophobicContact CB-CZ 3.89Å; L788-F790 HydrophobicContact CD1-CE2 4.1Å; L788-F790 HydrophobicContact CD1-CZ 3.77Å; L788-F790 HydrophobicContact CG-CE2 4.43Å
789	T	91.1	Very high	79.3	Confident	38 Å²	38	49.5 Å²	49.5	23%	0.233	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	111.6	172.7	-51.6	0	0	0	0	108.4	I717 I718 Q719 V764 N765	I717-T789 HydrophobicContact CG2-CG2 3.53Å; I718-T789 CarbonylContact O-C 3.55Å; I718-T789 WeakPolarHBondContact O-CA 3.26Å; Q719-T789 HydrophobicContact CG-CG2 3.96Å; Q719-T789 PolarHBondContact NE2-OG1 2.79Å; V764-T789 WeakPolarHBondContact CA-O 3.22Å; N765-T789 PolarHBondContact N-O 3.35Å; N765-T789 WeakPolarHBondContact OD1-CB 3.47Å; N765-T789 PolarHBondContact OD1-N 2.88Å; N765-T789 PolarHBondContact OD1-OG1 2.96Å
790	F	91.8	Very high	76.8	Confident	2 Å²	2	52 Å²	52	1%	0.009	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	138.5	177.5	-58	-104.9	0	0	0	110.3	I717 I718 I720 L727 I761 E763 V764 L781 L788 I792	I717-F790 WeakPolarHBondContact CA-O 3.45Å; I718-F790 HydrophobicContact CD1-CB 4.23Å; I718-F790 HydrophobicContact CD1-CD2 4.43Å; I718-F790 HydrophobicContact CG1-CB 3.76Å; I718-F790 HydrophobicContact CG1-CD2 4.3Å; I718-F790 HydrophobicContact CG1-CG 4.42Å; I718-F790 PolarHBondContact N-O 3.31Å; I718-F790 PolarHBondContact O-N 3.13Å; I720-F790 HydrophobicContact CB-CE2 4.3Å; I720-F790 HydrophobicContact CD1-CE2 4.22Å; I720-F790 HydrophobicContact CG1-CE2 4.44Å; L727-F790 HydrophobicContact CD2-CE1 4.42Å; L727-F790 HydrophobicContact CD2-CE2 4.39Å; L727-F790 HydrophobicContact CD2-CZ 3.67Å; I761-F790 HydrophobicContact CG2-CD1 3.98Å; E763-F790 WeakPolarHBondContact O-CA 3.45Å; V764-F790 HydrophobicContact CB-CD1 4.45Å; V764-F790 HydrophobicContact CG1-CD1 4.16Å; V764-F790 HydrophobicContact CG1-CE1 4.05Å; V764-F790 HydrophobicContact CG1-CZ 4.37Å; V764-F790 HydrophobicContact CG2-CD1 3.54Å; V764-F790 HydrophobicContact CG2-CE1 3.77Å; V764-F790 HydrophobicContact CG2-CG 4.41Å; L781-F790 HydrophobicContact CD2-CE1 4.08Å; L781-F790 HydrophobicContact CD2-CZ 4.18Å; L788-F790 HydrophobicContact CB-CD2 4.15Å; L788-F790 HydrophobicContact CB-CE2 3.43Å; L788-F790 VanDerWaalsContact CB-CE2 3.43Å; L788-F790 HydrophobicContact CB-CZ 3.89Å; L788-F790 HydrophobicContact CD1-CE2 4.1Å; L788-F790 HydrophobicContact CD1-CZ 3.77Å; L788-F790 HydrophobicContact CG-CE2 4.43Å; F790-I792 HydrophobicContact CB-CG2 3.95Å
791	L	91	Very high	74.4	Confident	37 Å²	37	56.4 Å²	56.4	19%	0.194	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	113	165.8	-165.7	77.1	0	0	0	107.6	I715 I717 L762 E763	I715-L791 HydrophobicContact CG2-CD1 3.63Å; I715-L791 HydrophobicContact CG2-CD2 4.3Å; I715-L791 HydrophobicContact CG2-CG 3.67Å; I717-L791 HydrophobicContact CD1-CD1 4.35Å; I717-L791 HydrophobicContact CG1-CD1 3.9Å; L762-L791 HydrophobicContact CB-CB 4.39Å; L762-L791 HydrophobicContact CB-CD2 4.07Å; L762-L791 HydrophobicContact CB-CG 4.38Å; L762-L791 WeakPolarHBondContact CB-O 3.42Å; L762-L791 HydrophobicContact CD1-CD2 4.15Å; L762-L791 HydrophobicContact CD1-CG 4.44Å; L762-L791 PolarHBondContact N-O 2.96Å; E763-L791 HydrophobicContact CB-CB 3.82Å; E763-L791 HydrophobicContact CB-CD2 4.4Å; E763-L791 HydrophobicContact CG-CB 4.26Å; E763-L791 HydrophobicContact CG-CD2 3.9Å; E763-L791 PolarHBondContact N-O 3.15Å; E763-L791 PolarHBondContact O-N 3.02Å
792	I	91.5	Very high	72.2	Confident	1 Å²	1	60 Å²	60	1%	0.005	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	149.4	-174	66	169.2	0	0	0	113.1	I715 R716 I718 L755 D759 E760 F790	I715-I792 CarbonylContact C-O 3.57Å; I715-I792 WeakPolarHBondContact CA-O 3.43Å; R716-I792 HydrophobicContact CB-CG1 3.97Å; R716-I792 PolarHBondContact N-O 3.28Å; R716-I792 PolarHBondContact O-N 3.3Å; I718-I792 HydrophobicContact CD1-CD1 4.06Å; I718-I792 HydrophobicContact CG1-CD1 4.46Å; I718-I792 HydrophobicContact CG2-CD1 4.31Å; L755-I792 HydrophobicContact CD2-CG2 4.23Å; D759-I792 HydrophobicContact CB-CD1 4.39Å; E760-I792 CarbonylContact O-C 3.46Å; E760-I792 WeakPolarHBondContact O-CA 3.31Å; E760-I792 WeakPolarHBondContact O-CB 3.46Å; F790-I792 HydrophobicContact CB-CG2 3.95Å
793	V	89.4	Confident	69.9	Low	45 Å²	45	64.4 Å²	64.4	27%	0.273	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	113.2	159.6	-167.8	0	0	0	0	107.2	I715 E760 L762	I715-V793 HydrophobicContact CG1-CG2 4.39Å; E760-V793 HydrophobicContact CB-CB 4.18Å; E760-V793 PolarHBondContact N-O 2.9Å; E760-V793 PolarHBondContact O-N 2.92Å; L762-V793 HydrophobicContact CD1-CG2 3.72Å; L762-V793 HydrophobicContact CD2-CG2 4.15Å; L762-V793 HydrophobicContact CG-CG2 3.98Å
794	P	85.8	Confident	67.7	Low	24 Å²	24	69.6 Å²	69.6	16%	0.156	45%	0.454	C	S	.	.			trans	-66.7	145.6	-178.2	-21.6	33.6	0	0	0	112.5	N714 R716 D759	N714-P794 WeakPolarHBondContact O-CD 3.35Å; R716-P794 HydrophobicContact CB-CG 4.36Å; R716-P794 HydrophobicContact CG-CG 3.77Å; D759-P794 WeakPolarHBondContact OD1-CA 3.38Å
795	A	75.9	Confident	65	Low	41 Å²	41	72.5 Å²	72.5	34%	0.339	49%	0.49	S	S	.	.			trans	-55.8	145.4	164.9	0	0	0	0	0	110.7	D759 S797	D759-A795 PolarHBondContact OD1-N 3.36Å; A795-S797 PolarHBondContact O-N 3.05Å; A795-S797 VanDerWaalsContact O-N 3.14Å
796	G	58.8	Low	62.4	Low	72 Å²	72	69.7 Å²	69.7	74%	0.742	50%	0.498	S	S	*	.	S	Bend	trans	-63	114.7	-173.8	0	0	0	0	0	112.8
797	S	40.2	Very low	59.7	Low	108 Å²	108	74.6 Å²	74.6	76%	0.755	52%	0.523	S	S	*	.	S	Bend	trans	58.9	114	-176.6	60	0	0	0	0	115.3	A795	A795-S797 PolarHBondContact O-N 3.05Å; A795-S797 VanDerWaalsContact O-N 3.14Å
798	P	41.9	Very low	57	Low	79 Å²	79	77.8 Å²	77.8	51%	0.513	54%	0.542	S	S	.	.			trans	-66.8	150	174	30	-34.9	0	0	0	110.6
799	P	38.8	Very low	54.1	Low	102 Å²	102	81.6 Å²	81.6	66%	0.662	58%	0.582	S	S	*	*			trans	-57.3	142.3	170.1	25.7	-33.8	0	0	0	110.2	V801	P799-V801 PolarHBondContact O-N 3.22Å
800	S	33	Very low	51.2	Low	122 Å²	122	85.4 Å²	85.4	85%	0.853	61%	0.61	S	S	*	*			trans	-72.6	82.1	-168.8	-172.4	0	0	0	0	113	G802	S800-G802 PolarHBondContact O-N 2.94Å
801	V	39.1	Very low	48.5	Very low	122 Å²	122	94 Å²	94	74%	0.739	65%	0.65	S	S	*	*			trans	-66.2	94	170.1	-179.7	0	0	0	0	109	P799 V803	P799-V801 PolarHBondContact O-N 3.22Å; V801-V803 HydrophobicContact CG1-CG2 4.27Å; V801-V803 PolarHBondContact O-N 3.29Å
802	G	41	Very low	46.1	Very low	76 Å²	76	100.6 Å²	100.6	78%	0.784	69%	0.685	S	S	*	*			trans	-73.1	87.9	-174	0	0	0	0	0	113.8	S800	S800-G802 PolarHBondContact O-N 2.94Å
803	V	36	Very low	43.3	Very low	130 Å²	130	105.7 Å²	105.7	79%	0.788	73%	0.727	S	S	*	*			trans	-115.6	140.4	170.1	-179.6	0	0	0	0	110.6	V801	V801-V803 HydrophobicContact CG1-CG2 4.27Å; V801-V803 PolarHBondContact O-N 3.29Å
804	M	39.7	Very low	40.4	Very low	195 Å²	195	107.5 Å²	107.5	96%	0.961	76%	0.755	S	S	*	*			trans	-57.8	146.6	-160.8	-71.4	-176	166.1	0	0	117.3
805	G	28.6	Very low	38.2	Very low	87 Å²	87	115.3 Å²	115.3	90%	0.897	79%	0.794	S	S	*	*			trans	-163.7	43.3	168.9	0	0	0	0	0	115.4
806	G	28.9	Very low	36.1	Very low	78 Å²	78	116.8 Å²	116.8	80%	0.804	81%	0.814	S	S	*	*			trans	-174.4	112.3	178.6	0	0	0	0	0	115.1
807	T	31.5	Very low	34.9	Very low	130 Å²	130	116.6 Å²	116.6	80%	0.798	81%	0.812	S	S	*	*			trans	-93.8	123.5	-178.4	52.1	0	0	0	0	112.8
808	T	32.7	Very low	34.6	Very low	144 Å²	144	116.2 Å²	116.2	88%	0.883	82%	0.815	S	S	*	*				167.4	140.9	116.3	35.8	0	0	0	0	112
809	G	30.3	Very low	34.1	Very low	81 Å²	81	120.5 Å²	120.5	84%	0.835	83%	0.827	S	S	*	*			trans	95.2	49	147.2	0	0	0	0	0	120.6
810	S	30.1	Very low	34.3	Very low	117 Å²	117	125.2 Å²	125.2	82%	0.818	83%	0.832	S	S	*	*			trans	-160.4	131.6	140.3	-165.1	0	0	0	0	112.6
811	Q	35.1	Very low	34.8	Very low	182 Å²	182	126 Å²	126	85%	0.85	83%	0.826	S	S	*	*			trans	-131.7	157	162.3	-72.3	-171.7	-1.2	0	0	108
812	L	39.8	Very low	35.4	Very low	177 Å²	177	125.8 Å²	125.8	93%	0.927	83%	0.826	S	S	*	*	S	Bend	trans	80.1	67.5	179.2	-57.9	158.5	0	0	0	117.3
813	A	32.8	Very low	36.8	Very low	108 Å²	108	125.1 Å²	125.1	89%	0.893	81%	0.813	S	S	*	*			trans	-172.1	144.2	131.5	0	0	0	0	0	112.3
814	G	28.9	Very low	39.3	Very low	83 Å²	83	122 Å²	122	86%	0.856	79%	0.794	S	S	*	*			trans	90.4	91.1	159.9	0	0	0	0	0	117.6
815	L	38.8	Very low	41.7	Very low	188 Å²	188	114.3 Å²	114.3	98%	0.984	76%	0.757	S	S	*	*			trans	-90	142.9	166.3	-71.9	160.8	0	0	0	110.8
816	G	32.7	Very low	44.9	Very low	72 Å²	72	113.1 Å²	113.1	74%	0.742	73%	0.728	S	S	*	*	S	Bend	trans	122	-0.5	155.8	0	0	0	0	0	119.5
817	G	34	Very low	48	Very low	68 Å²	68	109.7 Å²	109.7	70%	0.701	69%	0.691	S	S	*	*	S	Bend	trans	-81	-62.2	-170.8	0	0	0	0	0	117.1	H819	G817-H819 PolarHBondContact O-N 2.91Å
818	A	32.8	Very low	51.1	Low	99 Å²	99	105.2 Å²	105.2	82%	0.818	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	27.1	-151.1	0	0	0	0	0	116.7
819	H	32.5	Very low	54	Low	169 Å²	169	98.3 Å²	98.3	78%	0.782	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.9	13.1	-176.2	-110.5	-54.9	0	0	0	114.2	G817	G817-H819 PolarHBondContact O-N 2.91Å
820	R	41.3	Very low	56.9	Low	202 Å²	202	95.4 Å²	95.4	76%	0.762	58%	0.582	S	S	*	*	S	Bend	trans	-89.3	-24.5	-176.2	-83.4	-173	162.7	-161.2	-7	114.8	T822 A823	R820-T822 PolarHBondContact O-N 3.41Å; R820-A823 WeakPolarHBondContact O-CB 3.22Å; R820-A823 PolarHBondContact O-N 3.43Å
821	D	43.5	Very low	59.9	Low	137 Å²	137	91 Å²	91	73%	0.733	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-12.4	-171.6	-54	-52.7	0	0	0	113.7
822	T	52.6	Low	62.6	Low	119 Å²	119	87.5 Å²	87.5	73%	0.73	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	8	173.6	-18.5	0	0	0	0	113.5	R820	R820-T822 PolarHBondContact O-N 3.41Å
823	A	70.3	Confident	65.1	Low	62 Å²	62	79.8 Å²	79.8	51%	0.512	49%	0.494	S	S	.	.	S	Bend	trans	-81.4	121	178.8	0	0	0	0	0	111.1	R820 L825	R820-A823 WeakPolarHBondContact O-CB 3.22Å; R820-A823 PolarHBondContact O-N 3.43Å; A823-L825 PolarHBondContact O-N 2.95Å
824	V	87.4	Confident	68	Low	63 Å²	63	77.1 Å²	77.1	38%	0.382	47%	0.465	S	S	.	.			trans	-60.7	120.8	175.2	-177	0	0	0	0	109.9	H826 H857 I859	V824-H826 PolarHBondContact O-CE1 3.02Å; V824-H826 VanDerWaalsContact O-CE1 3.32Å; V824-H826 PolarHBondContact O-ND1 3.13Å; V824-H857 HydrophobicContact CG1-CB 4.03Å; V824-I859 HydrophobicContact CG1-CG2 3.93Å; V824-I859 HydrophobicContact CG2-CG2 3.96Å
825	L	91.8	Very high	70.9	Confident	35 Å²	35	73.3 Å²	73.3	18%	0.183	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	114.9	179.6	179.3	72.1	0	0	0	108.8	A823 V827 V858 E961	A823-L825 PolarHBondContact O-N 2.95Å; L825-V827 HydrophobicContact CD2-CG1 4.06Å; L825-V827 HydrophobicContact CG-CG1 3.88Å; L825-V858 HydrophobicContact CB-CB 4.24Å; L825-V858 PolarHBondContact N-O 2.97Å; L825-V858 WeakPolarHBondContact O-CA 3.48Å; L825-V858 WeakPolarHBondContact O-CB 3.33Å; L825-V858 PolarHBondContact O-N 3.08Å; L825-E961 HydrophobicContact CD1-CG 3.83Å
826	H	94.8	Very high	73.4	Confident	62 Å²	62	68.5 Å²	68.5	29%	0.287	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121.8	-177.8	-57.5	68.3	0	0	0	108.4	V824 H857 V962 W1160	V824-H826 PolarHBondContact O-CE1 3.02Å; V824-H826 VanDerWaalsContact O-CE1 3.32Å; V824-H826 PolarHBondContact O-ND1 3.13Å; H826-H857 AromaticContact CD2-CE1 3.73Å; H826-H857 AromaticContact CD2-ND1 3.22Å; H826-H857 PolarHBondContact CD2-ND1 3.26Å; H826-H857 AromaticContact NE2-ND1 3.99Å; H826-V962 HydrophobicContact CB-CG2 4.22Å; H826-V962 PolarHBondContact O-N 2.8Å; H826-W1160 HydrophobicContact CB-CH2 4.24Å; H826-W1160 HydrophobicContact CB-CZ3 3.83Å; H826-W1160 AromaticContact CD2-CH2 3.28Å; H826-W1160 WeakPolarHBondContact CD2-CH2 3.19Å; H826-W1160 AromaticContact CD2-CZ3 3.76Å; H826-W1160 AromaticContact CG-CH2 3.99Å; H826-W1160 AromaticContact CG-CZ3 4Å
827	V	95.3	Very high	76	Confident	5 Å²	5	72 Å²	72	3%	0.03	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.7	-176.3	-55.2	0	0	0	0	112.1	L825 V855 L856 V858 Y959 E960	L825-V827 HydrophobicContact CD2-CG1 4.06Å; L825-V827 HydrophobicContact CG-CG1 3.88Å; V827-V855 CarbonylContact O-C 3.59Å; V827-V855 WeakPolarHBondContact O-CA 3.36Å; V827-L856 HydrophobicContact CG2-CB 3.95Å; V827-L856 PolarHBondContact N-O 2.92Å; V827-L856 PolarHBondContact O-N 3.43Å; V827-V858 HydrophobicContact CG2-CG2 3.92Å; V827-Y959 HydrophobicContact CB-CD1 4.45Å; V827-Y959 HydrophobicContact CG2-CD1 3.79Å; V827-Y959 HydrophobicContact CG2-CE1 4.43Å; V827-Y959 HydrophobicContact CG2-CG 4.17Å; V827-E960 CarbonylContact C-O 3.55Å; V827-E960 WeakPolarHBondContact CA-O 3.36Å
828	R	95	Very high	78.5	Confident	36 Å²	36	69 Å²	69	14%	0.136	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	129.7	169	171.7	176.7	-73.3	140.4	-2.9	109.6	D854 Y959 E960 V962 W1160	R828-D854 WeakPolarHBondContact CA-O 3.33Å; R828-Y959 WeakPolarHBondContact O-CA 3.5Å; R828-E960 PolarHBondContact N-O 3.29Å; R828-E960 PolarHBondContact O-N 2.71Å; R828-V962 HydrophobicContact CB-CG1 3.75Å; R828-W1160 PolarHBondContact NH2-O 3.47Å
829	A	94.8	Very high	81.1	Confident	0 Å²	0	72 Å²	72	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	139.4	173.7	0	0	0	0	0	111.4	F850 G853 D854 Y959	A829-F850 HydrophobicContact CB-CD2 3.47Å; A829-F850 VanDerWaalsContact CB-CD2 3.47Å; A829-F850 HydrophobicContact CB-CE2 3.63Å; A829-F850 HydrophobicContact CB-CG 4.48Å; A829-G853 PolarHBondContact O-N 3.33Å; A829-D854 PolarHBondContact N-O 3.32Å; A829-Y959 HydrophobicContact CB-CD1 4.49Å; A829-Y959 HydrophobicContact CB-CE1 4.43Å
830	H	91.8	Very high	83.6	Confident	20 Å²	20	68.8 Å²	68.8	9%	0.093	35%	0.35	C	S	.	.	S	Bend	trans	-110.1	-0.6	172.8	-76.1	4	0	0	0	113.8	K852 L957 T958 E960 H1129	H830-K852 WeakPolarHBondContact O-CD 3.4Å; H830-L957 HydrophobicContact CB-CB 3.9Å; H830-L957 HydrophobicContact CB-CD2 4.29Å; H830-T958 PolarHBondContact N-O 3.29Å; H830-E960 IonicContact CE1-OE2 2.69Å; H830-E960 IonicContact NE2-OE2 3.49Å; H830-H1129 HydrophobicContact CB-CB 4.18Å
831	F	91.4	Very high	86	Confident	23 Å²	23	59.7 Å²	59.7	10%	0.101	32%	0.316	C	S	.	.	S	Bend	trans	-131.9	163.8	176	66.2	-75.9	0	0	0	109.6	Y833 F850 P884 Q889 L957 T958 Y959	F831-Y833 HydrophobicContact CE2-CD2 4.39Å; F831-F850 HydrophobicContact CD2-CE2 4.28Å; F831-F850 HydrophobicContact CE1-CE2 4.16Å; F831-F850 HydrophobicContact CE1-CZ 4.34Å; F831-F850 AromaticContact CE2-CE2 3.82Å; F831-F850 HydrophobicContact CE2-CE2 3.82Å; F831-F850 AromaticContact CE2-CZ 3.8Å; F831-F850 HydrophobicContact CE2-CZ 3.8Å; F831-F850 AromaticContact CZ-CE2 3.74Å; F831-F850 HydrophobicContact CZ-CE2 3.74Å; F831-F850 AromaticContact CZ-CZ 3.59Å; F831-F850 HydrophobicContact CZ-CZ 3.59Å; F831-P884 HydrophobicContact CE2-CG 4.36Å; F831-P884 HydrophobicContact CZ-CG 4.22Å; F831-Q889 HydrophobicContact CD1-CG 4.18Å; F831-Q889 HydrophobicContact CD2-CG 4.38Å; F831-Q889 VanDerWaalsContact CD2-NE2 3.35Å; F831-Q889 HydrophobicContact CE1-CG 3.75Å; F831-Q889 HydrophobicContact CE2-CG 3.93Å; F831-Q889 HydrophobicContact CG-CG 4.5Å; F831-Q889 HydrophobicContact CZ-CB 4.26Å; F831-Q889 HydrophobicContact CZ-CG 3.6Å; F831-L957 WeakPolarHBondContact CD1-O 3.45Å; F831-T958 VanDerWaalsContact CD1-O 3.23Å; F831-T958 WeakPolarHBondContact CD1-O 3.41Å; F831-T958 WeakPolarHBondContact CE1-O 3.38Å; F831-Y959 HydrophobicContact CE1-CD1 4.29Å; F831-Y959 AromaticContact CE1-CE1 3.83Å; F831-Y959 HydrophobicContact CE1-CE1 3.83Å; F831-Y959 HydrophobicContact CE1-CE2 4.12Å; F831-Y959 AromaticContact CE1-CZ 3.76Å; F831-Y959 HydrophobicContact CZ-CE1 4.11Å; F831-Y959 HydrophobicContact CZ-CE2 4.26Å; F831-Y959 AromaticContact CZ-CZ 3.73Å
832	D	91.7	Very high	88	Confident	110 Å²	110	54.5 Å²	54.5	59%	0.588	29%	0.29	S	S	*	.			trans	-92.3	140.6	173.1	-52	-62.8	0	0	0	109.7	Q851 K852	D832-Q851 WeakPolarHBondContact OD1-CA 3.24Å; D832-K852 WeakPolarHBondContact OD1-CB 3.39Å; D832-K852 PolarHBondContact OD1-N 2.96Å
833	Y	93.5	Very high	89.7	Confident	15 Å²	15	48.8 Å²	48.8	6%	0.059	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-132.4	130.2	179.5	-175.4	-112.7	0	0	0	111.6	F831 P835 D838 S849 F850 W866 P884	F831-Y833 HydrophobicContact CE2-CD2 4.39Å; Y833-P835 HydrophobicContact CE1-CB 4.05Å; Y833-D838 HydrophobicContact CE2-CB 4.37Å; Y833-D838 VanDerWaalsContact CE2-OD2 3.22Å; Y833-D838 WeakPolarHBondContact CE2-OD2 3.38Å; Y833-D838 PolarHBondContact OH-OD2 2.69Å; Y833-S849 CarbonylContact O-C 3.58Å; Y833-S849 VanDerWaalsContact O-CA 3.25Å; Y833-S849 WeakPolarHBondContact O-CA 3.4Å; Y833-S849 WeakPolarHBondContact O-CB 3.23Å; Y833-F850 VanDerWaalsContact CB-CE2 3.46Å; Y833-F850 HydrophobicContact CD1-CD1 4.11Å; Y833-F850 AromaticContact CD1-CE1 3.6Å; Y833-F850 HydrophobicContact CD1-CE1 3.6Å; Y833-F850 HydrophobicContact CD1-CZ 4.11Å; Y833-F850 HydrophobicContact CG-CD1 4.46Å; Y833-F850 AromaticContact CG-CE1 3.82Å; Y833-F850 HydrophobicContact CG-CE1 3.82Å; Y833-F850 HydrophobicContact CG-CE2 4.49Å; Y833-F850 AromaticContact CG-CZ 3.84Å; Y833-F850 HydrophobicContact CG-CZ 3.84Å; Y833-F850 PolarHBondContact N-O 3.5Å; Y833-F850 PolarHBondContact O-N 3.44Å; Y833-W866 WeakPolarHBondContact OH-CH2 3.45Å; Y833-W866 WeakPolarHBondContact OH-CZ3 3.31Å; Y833-P884 HydrophobicContact CD2-CG 3.99Å; Y833-P884 HydrophobicContact CE2-CG 3.92Å; Y833-P884 HydrophobicContact CG-CG 4.34Å
834	D	93.4	Very high	90.5	Very high	52 Å²	52	49.5 Å²	49.5	28%	0.278	24%	0.244	S	C	.	.			trans	-125.4	117	168.9	-160.5	-30.6	0	0	0	108.8	E836 D837	D834-E836 PolarHBondContact O-N 2.91Å; D834-E836 VanDerWaalsContact OD1-CB 3.26Å; D834-E836 WeakPolarHBondContact OD1-CB 3.47Å; D834-E836 PolarHBondContact OD1-N 3.45Å; D834-D837 PolarHBondContact O-N 3.03Å
835	P	90.8	Very high	90.4	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.013	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-66.2	-16.2	174.9	30.5	-36.9	0	0	0	112.4	Y833 D837 D838 I841	Y833-P835 HydrophobicContact CE1-CB 4.05Å; P835-D837 VanDerWaalsContact C-N 3.33Å; P835-D838 PolarHBondContact O-N 3.32Å; P835-I841 HydrophobicContact CB-CD1 3.65Å
836	E	89.4	Confident	90.3	Very high	87 Å²	87	47.9 Å²	47.9	41%	0.407	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-72.7	-26.5	176.9	-66	-66.4	108.2	0	0	112.9	D834 R844	D834-E836 PolarHBondContact O-N 2.91Å; D834-E836 VanDerWaalsContact OD1-CB 3.26Å; D834-E836 WeakPolarHBondContact OD1-CB 3.47Å; D834-E836 PolarHBondContact OD1-N 3.45Å; E836-R844 VanDerWaalsContact CA-CZ 3.44Å; E836-R844 VanDerWaalsContact CA-NH2 3.3Å; E836-R844 PolarHBondContact O-NH1 3.02Å; E836-R844 PolarHBondContact O-NH2 3.2Å; E836-R844 VanDerWaalsContact OE1-CG 3.31Å; E836-R844 WeakPolarHBondContact OE1-CG 3.3Å; E836-R844 IonicContact OE1-CZ 2.72Å; E836-R844 IonicContact OE1-NE 3.44Å; E836-R844 PolarHBondContact OE1-NE 2.93Å; E836-R844 IonicContact OE1-NH2 2.85Å; E836-R844 IonicContact OE2-CZ 2.74Å; E836-R844 VanDerWaalsContact OE2-CZ 3.29Å; E836-R844 IonicContact OE2-NE 3.77Å; E836-R844 PolarHBondContact OE2-NE 2.9Å; E836-R844 VanDerWaalsContact OE2-NE 3.12Å; E836-R844 IonicContact OE2-NH2 3.85Å; E836-R844 PolarHBondContact OE2-NH2 3.3Å
837	D	88.6	Confident	90.1	Very high	146 Å²	146	45.3 Å²	45.3	78%	0.781	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-89	-3.8	173.4	-81.6	-17.5	0	0	0	112.5	D834 P835	D834-D837 PolarHBondContact O-N 3.03Å; P835-D837 VanDerWaalsContact C-N 3.33Å
838	D	86.9	Confident	90	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.032	22%	0.223	C	C	.	.			trans	-93.1	118.4	-174.6	-152.3	-27.3	0	0	0	113.1	Y833 P835 Y840 I841 W866 R892	Y833-D838 HydrophobicContact CE2-CB 4.37Å; Y833-D838 VanDerWaalsContact CE2-OD2 3.22Å; Y833-D838 WeakPolarHBondContact CE2-OD2 3.38Å; Y833-D838 PolarHBondContact OH-OD2 2.69Å; P835-D838 PolarHBondContact O-N 3.32Å; D838-Y840 PolarHBondContact OD1-N 3Å; D838-I841 HydrophobicContact CB-CB 4.33Å; D838-I841 HydrophobicContact CB-CG2 4.25Å; D838-W866 WeakPolarHBondContact OD2-CH2 3.38Å; D838-R892 VanDerWaalsContact CG-NH2 3.31Å; D838-R892 IonicContact OD1-CZ 3.89Å; D838-R892 IonicContact OD1-NH1 3.45Å; D838-R892 IonicContact OD1-NH2 3.12Å; D838-R892 PolarHBondContact OD1-NH2 2.83Å; D838-R892 IonicContact OD2-CZ 2.6Å; D838-R892 VanDerWaalsContact OD2-CZ 3.25Å; D838-R892 IonicContact OD2-NH1 3.9Å; D838-R892 PolarHBondContact OD2-NH1 3.11Å; D838-R892 IonicContact OD2-NH2 3.67Å; D838-R892 PolarHBondContact OD2-NH2 2.94Å
839	L	85.9	Confident	89.9	Confident	162 Å²	162	44.4 Å²	44.4	85%	0.848	22%	0.221	S	C	*	.	S	Bend	trans	-82.2	-14.6	174.9	-61.9	177.5	0	0	0	113.2
840	Y	86.3	Confident	89.9	Confident	101 Å²	101	44.6 Å²	44.6	40%	0.396	22%	0.222	S	C	.	.	S	Bend	trans	-102.3	-2.7	-173.3	-58.3	-78.8	0	0	0	113.7	D838 P842 W866 F888	D838-Y840 PolarHBondContact OD1-N 3Å; Y840-P842 WeakPolarHBondContact O-CD 3.35Å; Y840-W866 VanDerWaalsContact O-CZ2 3.25Å; Y840-W866 WeakPolarHBondContact O-CZ2 3.36Å; Y840-F888 HydrophobicContact CG-CZ 4.38Å
841	I	90	Very high	89.9	Confident	11 Å²	11	47.9 Å²	47.9	6%	0.056	24%	0.237	C	C	.	.			trans	-70.5	124	-179.4	-168.4	167.3	0	0	0	110.8	P835 D838 C843 R844 W866 L882	P835-I841 HydrophobicContact CB-CD1 3.65Å; D838-I841 HydrophobicContact CB-CB 4.33Å; D838-I841 HydrophobicContact CB-CG2 4.25Å; I841-C843 VanDerWaalsContact C-N 3.34Å; I841-C843 PolarHBondContact O-N 3.29Å; I841-R844 HydrophobicContact CG2-CB 3.97Å; I841-R844 HydrophobicContact CG2-CG 4.38Å; I841-W866 HydrophobicContact CB-CH2 3.75Å; I841-W866 HydrophobicContact CB-CZ2 4.2Å; I841-W866 HydrophobicContact CB-CZ3 4.18Å; I841-W866 HydrophobicContact CD1-CZ3 4.16Å; I841-W866 HydrophobicContact CG1-CE3 4.35Å; I841-W866 HydrophobicContact CG1-CH2 3.98Å; I841-W866 HydrophobicContact CG1-CZ3 3.88Å; I841-L882 HydrophobicContact CD1-CB 4.44Å
842	P	87	Confident	89.8	Confident	27 Å²	27	50 Å²	50	18%	0.175	25%	0.247	C	C	.	.	S	Bend	trans	-60.7	-43.3	-173.5	-26.2	34.1	0	0	0	112.9	E330 Y840 W866	E330-P842 HydrophobicContact CB-CB 4.31Å; E330-P842 WeakPolarHBondContact CB-O 3.29Å; E330-P842 PolarHBondContact N-O 2.94Å; E330-P842 VanDerWaalsContact N-O 3.15Å; Y840-P842 WeakPolarHBondContact O-CD 3.35Å; P842-W866 VanDerWaalsContact CD-CE2 3.5Å; P842-W866 HydrophobicContact CG-CD2 4.41Å; P842-W866 HydrophobicContact CG-CG 4.07Å
843	C	87.6	Confident	89.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.			trans	-135	105.6	176	173.8	0	0	0	0	107.7	E330 A332 T730 I841 E845 L846	E330-C843 HydrophobicContact CB-CB 4.26Å; A332-C843 PolarHBondContact N-SG 3.23Å; T730-C843 HydrophobicContact CG2-CB 4.05Å; I841-C843 VanDerWaalsContact C-N 3.34Å; I841-C843 PolarHBondContact O-N 3.29Å; C843-E845 PolarHBondContact O-N 3.19Å; C843-E845 PolarHBondContact SG-OE2 3.21Å; C843-L846 HydrophobicContact CB-CD1 4.21Å; C843-L846 PolarHBondContact O-N 3.03Å
844	R	87.6	Confident	89.6	Confident	76 Å²	76	48 Å²	48	29%	0.287	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-63.6	-33.5	-177.4	-175.3	-176.8	-179.5	105.2	-13	111.6	E836 I841 L846 G847	E836-R844 VanDerWaalsContact CA-CZ 3.44Å; E836-R844 VanDerWaalsContact CA-NH2 3.3Å; E836-R844 PolarHBondContact O-NH1 3.02Å; E836-R844 PolarHBondContact O-NH2 3.2Å; E836-R844 VanDerWaalsContact OE1-CG 3.31Å; E836-R844 WeakPolarHBondContact OE1-CG 3.3Å; E836-R844 IonicContact OE1-CZ 2.72Å; E836-R844 IonicContact OE1-NE 3.44Å; E836-R844 PolarHBondContact OE1-NE 2.93Å; E836-R844 IonicContact OE1-NH2 2.85Å; E836-R844 IonicContact OE2-CZ 2.74Å; E836-R844 VanDerWaalsContact OE2-CZ 3.29Å; E836-R844 IonicContact OE2-NE 3.77Å; E836-R844 PolarHBondContact OE2-NE 2.9Å; E836-R844 VanDerWaalsContact OE2-NE 3.12Å; E836-R844 IonicContact OE2-NH2 3.85Å; E836-R844 PolarHBondContact OE2-NH2 3.3Å; I841-R844 HydrophobicContact CG2-CB 3.97Å; I841-R844 HydrophobicContact CG2-CG 4.38Å; R844-L846 PolarHBondContact O-N 3.43Å; R844-G847 PolarHBondContact O-N 3.43Å
845	E	85.4	Confident	89.6	Confident	60 Å²	60	46 Å²	46	28%	0.28	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-67.9	-13.6	-177.9	-51.8	74.5	-163.8	0	0	112.5	R329 F339 C843	R329-E845 IonicContact CZ-OE1 3.21Å; R329-E845 VanDerWaalsContact CZ-OE1 3.29Å; R329-E845 IonicContact CZ-OE2 3.59Å; R329-E845 IonicContact NH1-OE1 2.8Å; R329-E845 PolarHBondContact NH1-OE1 3.25Å; R329-E845 IonicContact NH1-OE2 3.97Å; R329-E845 IonicContact NH2-OE1 2.71Å; R329-E845 PolarHBondContact NH2-OE1 3.21Å; R329-E845 IonicContact NH2-OE2 2.78Å; R329-E845 PolarHBondContact NH2-OE2 3.49Å; F339-E845 VanDerWaalsContact CD1-O 3.25Å; F339-E845 WeakPolarHBondContact CD1-O 3.44Å; F339-E845 VanDerWaalsContact CE1-O 3.24Å; F339-E845 WeakPolarHBondContact CE1-O 3.32Å; C843-E845 PolarHBondContact O-N 3.19Å; C843-E845 PolarHBondContact SG-OE2 3.21Å
846	L	89.8	Confident	89.9	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.021	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-105.2	-3.2	171.2	-69.6	170.7	0	0	0	113.3	A332 T730 V744 C843 R844 L879 G881 L882	A332-L846 HydrophobicContact CB-CD1 4.24Å; A332-L846 HydrophobicContact CB-CD2 4.31Å; A332-L846 HydrophobicContact CB-CG 4.05Å; T730-L846 HydrophobicContact CG2-CD1 3.49Å; T730-L846 VanDerWaalsContact CG2-CD1 3.49Å; V744-L846 HydrophobicContact CG1-CD2 4.44Å; V744-L846 HydrophobicContact CG2-CD1 3.63Å; V744-L846 HydrophobicContact CG2-CD2 4.39Å; C843-L846 HydrophobicContact CB-CD1 4.21Å; C843-L846 PolarHBondContact O-N 3.03Å; R844-L846 PolarHBondContact O-N 3.43Å; L846-L879 HydrophobicContact CD2-CD1 4.33Å; L846-G881 CarbonylContact O-C 3.55Å; L846-G881 WeakPolarHBondContact O-CA 3.37Å; L846-L882 HydrophobicContact CB-CD1 4.08Å; L846-L882 HydrophobicContact CB-CG 4Å; L846-L882 PolarHBondContact O-N 2.94Å
847	G	91.1	Very high	90.1	Very high	9 Å²	9	43.2 Å²	43.2	9%	0.093	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-68.7	134.1	-179.2	0	0	0	0	0	112	R844	R844-G847 PolarHBondContact O-N 3.43Å
848	I	92.2	Very high	90.4	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.041	19%	0.186	C	C	.	.			trans	-104.6	121.8	169.3	52.2	172.1	0	0	0	110.5	A869 L882 I883	I848-A869 HydrophobicContact CD1-CB 4.44Å; I848-A869 WeakPolarHBondContact CD1-O 3.35Å; I848-L882 PolarHBondContact N-O 2.98Å; I848-I883 HydrophobicContact CD1-CG2 3.79Å; I848-I883 HydrophobicContact CG1-CG2 3.49Å; I848-I883 VanDerWaalsContact CG1-CG2 3.49Å
849	S	93.3	Very high	90.6	Very high	13 Å²	13	38.5 Å²	38.5	9%	0.091	20%	0.197	C	C	.	.			trans	-69.2	152.1	169.9	58.4	0	0	0	0	110.7	Y833 R871	Y833-S849 CarbonylContact O-C 3.58Å; Y833-S849 VanDerWaalsContact O-CA 3.25Å; Y833-S849 WeakPolarHBondContact O-CA 3.4Å; Y833-S849 WeakPolarHBondContact O-CB 3.23Å; S849-R871 PolarHBondContact O-NH1 3.13Å
850	F	94.2	Very high	90.9	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.018	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-154.2	155.2	173	55.1	-99.6	0	0	0	111.2	A829 F831 Y833 D854 L856 I883 Y959	A829-F850 HydrophobicContact CB-CD2 3.47Å; A829-F850 VanDerWaalsContact CB-CD2 3.47Å; A829-F850 HydrophobicContact CB-CE2 3.63Å; A829-F850 HydrophobicContact CB-CG 4.48Å; F831-F850 HydrophobicContact CD2-CE2 4.28Å; F831-F850 HydrophobicContact CE1-CE2 4.16Å; F831-F850 HydrophobicContact CE1-CZ 4.34Å; F831-F850 AromaticContact CE2-CE2 3.82Å; F831-F850 HydrophobicContact CE2-CE2 3.82Å; F831-F850 AromaticContact CE2-CZ 3.8Å; F831-F850 HydrophobicContact CE2-CZ 3.8Å; F831-F850 AromaticContact CZ-CE2 3.74Å; F831-F850 HydrophobicContact CZ-CE2 3.74Å; F831-F850 AromaticContact CZ-CZ 3.59Å; F831-F850 HydrophobicContact CZ-CZ 3.59Å; Y833-F850 VanDerWaalsContact CB-CE2 3.46Å; Y833-F850 HydrophobicContact CD1-CD1 4.11Å; Y833-F850 AromaticContact CD1-CE1 3.6Å; Y833-F850 HydrophobicContact CD1-CE1 3.6Å; Y833-F850 HydrophobicContact CD1-CZ 4.11Å; Y833-F850 HydrophobicContact CG-CD1 4.46Å; Y833-F850 AromaticContact CG-CE1 3.82Å; Y833-F850 HydrophobicContact CG-CE1 3.82Å; Y833-F850 HydrophobicContact CG-CE2 4.49Å; Y833-F850 AromaticContact CG-CZ 3.84Å; Y833-F850 HydrophobicContact CG-CZ 3.84Å; Y833-F850 PolarHBondContact N-O 3.5Å; Y833-F850 PolarHBondContact O-N 3.44Å; F850-D854 HydrophobicContact CB-CB 4.22Å; F850-L856 HydrophobicContact CB-CD2 4.16Å; F850-L856 HydrophobicContact CD1-CD1 3.73Å; F850-L856 HydrophobicContact CD1-CD2 4.28Å; F850-L856 HydrophobicContact CD2-CD1 4.32Å; F850-L856 HydrophobicContact CE1-CD1 3.85Å; F850-L856 HydrophobicContact CE2-CD1 4.43Å; F850-L856 HydrophobicContact CG-CD1 3.97Å; F850-L856 HydrophobicContact CG-CD2 4.36Å; F850-L856 HydrophobicContact CZ-CD1 4.2Å; F850-I883 HydrophobicContact CD1-CG2 4.07Å; F850-I883 HydrophobicContact CE1-CB 3.99Å; F850-I883 HydrophobicContact CE1-CG2 3.69Å; F850-Y959 HydrophobicContact CE2-CE1 4.23Å; F850-Y959 AromaticContact CZ-CE1 3.97Å; F850-Y959 HydrophobicContact CZ-CE1 3.97Å; F850-Y959 WeakPolarHBondContact CZ-OH 3.38Å
851	Q	91.4	Very high	91.1	Very high	89 Å²	89	32 Å²	32	42%	0.416	16%	0.161	S	C	.	.			trans	-108.2	154.8	177.7	-65.1	-179.2	6	0	0	110.4	D832 G853 D854	D832-Q851 WeakPolarHBondContact OD1-CA 3.24Å; Q851-G853 PolarHBondContact O-N 3.16Å; Q851-G853 VanDerWaalsContact O-N 3.1Å; Q851-D854 PolarHBondContact N-OD2 3.47Å; Q851-D854 VanDerWaalsContact O-CB 3.29Å; Q851-D854 WeakPolarHBondContact O-CB 3.39Å; Q851-D854 PolarHBondContact O-N 3.03Å
852	K	89.2	Confident	91.1	Very high	69 Å²	69	37.5 Å²	37.5	30%	0.3	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	114.8	175.2	175.2	176.5	178.2	-178.2	0	110.8	H830 D832 G1128	H830-K852 WeakPolarHBondContact O-CD 3.4Å; D832-K852 WeakPolarHBondContact OD1-CB 3.39Å; D832-K852 PolarHBondContact OD1-N 2.96Å; K852-G1128 VanDerWaalsContact CE-C 3.46Å
853	G	88.3	Confident	91.1	Very high	39 Å²	39	37.9 Å²	37.9	40%	0.402	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	111.6	-21.6	-175.6	0	0	0	0	0	114.6	A829 Q851	A829-G853 PolarHBondContact O-N 3.33Å; Q851-G853 PolarHBondContact O-N 3.16Å; Q851-G853 VanDerWaalsContact O-N 3.1Å
854	D	92.7	Very high	91.2	Very high	42 Å²	42	42 Å²	42	23%	0.225	21%	0.214	C	C	.	.			trans	-59	148.4	174	-74	-19.7	0	0	0	110.8	R828 A829 F850 Q851	R828-D854 WeakPolarHBondContact CA-O 3.33Å; A829-D854 PolarHBondContact N-O 3.32Å; F850-D854 HydrophobicContact CB-CB 4.22Å; Q851-D854 PolarHBondContact N-OD2 3.47Å; Q851-D854 VanDerWaalsContact O-CB 3.29Å; Q851-D854 WeakPolarHBondContact O-CB 3.39Å; Q851-D854 PolarHBondContact O-N 3.03Å
855	V	94.8	Very high	91.3	Very high	11 Å²	11	41.2 Å²	41.2	7%	0.067	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	134.7	176.4	177.2	0	0	0	0	109.5	V827 E872 V962 W1160	V827-V855 CarbonylContact O-C 3.59Å; V827-V855 WeakPolarHBondContact O-CA 3.36Å; V855-E872 HydrophobicContact CB-CB 3.91Å; V855-E872 HydrophobicContact CB-CG 4.42Å; V855-E872 HydrophobicContact CG1-CB 4.39Å; V855-E872 VanDerWaalsContact O-CB 3.3Å; V855-E872 WeakPolarHBondContact O-CB 3.42Å; V855-E872 PolarHBondContact O-N 3.18Å; V855-V962 HydrophobicContact CG1-CG2 4.09Å; V855-V962 HydrophobicContact CG2-CG2 4.49Å; V855-W1160 HydrophobicContact CG1-CD2 4.08Å; V855-W1160 HydrophobicContact CG1-CE3 4.47Å; V855-W1160 HydrophobicContact CG1-CG 4.39Å; V855-W1160 HydrophobicContact CG1-CZ2 4.45Å; V855-W1160 HydrophobicContact CG2-CB 4.12Å; V855-W1160 HydrophobicContact CG2-CD2 4.41Å; V855-W1160 HydrophobicContact CG2-CG 3.88Å
856	L	95.4	Very high	91.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.8	-175.7	-54	173.5	0	0	0	109.4	V827 F850 Y870 R871 I883 Y959	V827-L856 HydrophobicContact CG2-CB 3.95Å; V827-L856 PolarHBondContact N-O 2.92Å; V827-L856 PolarHBondContact O-N 3.43Å; F850-L856 HydrophobicContact CB-CD2 4.16Å; F850-L856 HydrophobicContact CD1-CD1 3.73Å; F850-L856 HydrophobicContact CD1-CD2 4.28Å; F850-L856 HydrophobicContact CD2-CD1 4.32Å; F850-L856 HydrophobicContact CE1-CD1 3.85Å; F850-L856 HydrophobicContact CE2-CD1 4.43Å; F850-L856 HydrophobicContact CG-CD1 3.97Å; F850-L856 HydrophobicContact CG-CD2 4.36Å; F850-L856 HydrophobicContact CZ-CD1 4.2Å; L856-Y870 CarbonylContact C-O 3.56Å; L856-Y870 WeakPolarHBondContact CA-O 3.35Å; L856-R871 HydrophobicContact CD2-CB 4.18Å; L856-R871 HydrophobicContact CD2-CG 4.15Å; L856-I883 HydrophobicContact CD1-CD1 3.87Å; L856-I883 HydrophobicContact CD1-CG2 4.42Å; L856-Y959 HydrophobicContact CD1-CE1 3.87Å
857	H	94.2	Very high	92	Very high	31 Å²	31	40 Å²	40	14%	0.144	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	89.9	-178.4	-56.7	-38.1	0	0	0	108.6	V824 H826 I859 A869 Y870 E872 W1160	V824-H857 HydrophobicContact CG1-CB 4.03Å; H826-H857 AromaticContact CD2-CE1 3.73Å; H826-H857 AromaticContact CD2-ND1 3.22Å; H826-H857 PolarHBondContact CD2-ND1 3.26Å; H826-H857 AromaticContact NE2-ND1 3.99Å; H857-I859 PolarHBondContact O-N 3.48Å; H857-A869 WeakPolarHBondContact O-CA 3.42Å; H857-Y870 PolarHBondContact N-O 2.93Å; H857-Y870 PolarHBondContact O-N 3.29Å; H857-Y870 VanDerWaalsContact O-N 3.07Å; H857-E872 IonicContact CD2-OE2 2.86Å; H857-E872 IonicContact CE1-OE2 2.76Å; H857-E872 PolarHBondContact CE1-OE2 3.29Å; H857-E872 IonicContact NE2-OE2 3.29Å; H857-E872 PolarHBondContact NE2-OE2 3.02Å; H857-W1160 AromaticContact CE1-CZ2 3.84Å
858	V	94.6	Very high	92.1	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	109	-176.5	-174.9	0	0	0	0	109.6	L825 V827 R861 W867 A869 I883	L825-V858 HydrophobicContact CB-CB 4.24Å; L825-V858 PolarHBondContact N-O 2.97Å; L825-V858 WeakPolarHBondContact O-CA 3.48Å; L825-V858 WeakPolarHBondContact O-CB 3.33Å; L825-V858 PolarHBondContact O-N 3.08Å; V827-V858 HydrophobicContact CG2-CG2 3.92Å; V858-R861 HydrophobicContact CG1-CG 3.65Å; V858-W867 HydrophobicContact CG1-CB 3.92Å; V858-W867 HydrophobicContact CG1-CD2 4.19Å; V858-W867 HydrophobicContact CG1-CE3 3.99Å; V858-W867 HydrophobicContact CG1-CG 4.21Å; V858-W867 HydrophobicContact CG2-CE3 4.18Å; V858-A869 HydrophobicContact CB-CB 4.5Å; V858-A869 HydrophobicContact CG2-CB 4.13Å; V858-I883 HydrophobicContact CG2-CD1 3.99Å
859	I	92.3	Very high	92.3	Very high	52 Å²	52	39.5 Å²	39.5	27%	0.267	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-26.1	-174.5	58.6	172.4	0	0	0	113	R745 V824 H857 Q868 Y870 A880	R745-I859 HydrophobicContact CB-CD1 3.39Å; R745-I859 HydrophobicContact CB-CG1 4.3Å; R745-I859 HydrophobicContact CG-CD1 4.02Å; R745-I859 HydrophobicContact CG-CG1 4.44Å; V824-I859 HydrophobicContact CG1-CG2 3.93Å; V824-I859 HydrophobicContact CG2-CG2 3.96Å; H857-I859 PolarHBondContact O-N 3.48Å; I859-Q868 HydrophobicContact CG1-CB 4.32Å; I859-Q868 VanDerWaalsContact CG1-O 3.31Å; I859-Q868 WeakPolarHBondContact CG1-O 3.49Å; I859-Q868 PolarHBondContact N-O 3.47Å; I859-Y870 HydrophobicContact CD1-CD2 4.13Å; I859-Y870 HydrophobicContact CD1-CE2 3.6Å; I859-Y870 HydrophobicContact CG2-CD2 4.13Å; I859-Y870 HydrophobicContact CG2-CE2 4.28Å; I859-A880 HydrophobicContact CD1-CB 3.51Å; I859-A880 HydrophobicContact CG1-CB 4.29Å
860	S	91.3	Very high	92.2	Very high	8 Å²	8	41.5 Å²	41.5	6%	0.056	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	141.2	172.7	171.3	0	0	0	0	111.3	E862 Q868	S860-E862 WeakPolarHBondContact CB-OE2 3.45Å; S860-E862 WeakPolarHBondContact OG-CB 3.38Å; S860-E862 VanDerWaalsContact OG-CD 3.3Å; S860-E862 VanDerWaalsContact OG-CG 3.29Å; S860-E862 WeakPolarHBondContact OG-CG 3.43Å; S860-E862 PolarHBondContact OG-N 3.25Å; S860-E862 PolarHBondContact OG-OE2 3.24Å; S860-Q868 PolarHBondContact N-O 3.01Å; S860-Q868 PolarHBondContact O-N 3.44Å
861	R	91.8	Very high	92.2	Very high	117 Å²	117	42.7 Å²	42.7	44%	0.442	21%	0.214	S	C	.	.			trans	-128.8	26.1	176.7	-58.7	171.1	-67.5	162.6	4.2	110.4	V858 W867	V858-R861 HydrophobicContact CG1-CG 3.65Å; R861-W867 HydrophobicContact CB-CG 4.44Å; R861-W867 HydrophobicContact CG-CD2 3.99Å; R861-W867 HydrophobicContact CG-CG 4.07Å; R861-W867 HydrophobicContact CG-CZ2 4.43Å
862	E	88.4	Confident	92	Very high	128 Å²	128	42.8 Å²	42.8	60%	0.598	21%	0.214	S	C	*	.			trans	-68	-36.1	-174.7	-71.1	162.8	123.8	0	0	111.7	R745 S860	R745-E862 IonicContact CZ-OE2 3.31Å; R745-E862 IonicContact NE-OE2 2.95Å; R745-E862 PolarHBondContact NE-OE2 2.9Å; R745-E862 IonicContact NH2-OE1 2.82Å; R745-E862 PolarHBondContact NH2-OE1 3.42Å; R745-E862 IonicContact NH2-OE2 3.93Å; R745-E862 PolarHBondContact NH2-OE2 3.07Å; S860-E862 WeakPolarHBondContact CB-OE2 3.45Å; S860-E862 WeakPolarHBondContact OG-CB 3.38Å; S860-E862 VanDerWaalsContact OG-CD 3.3Å; S860-E862 VanDerWaalsContact OG-CG 3.29Å; S860-E862 WeakPolarHBondContact OG-CG 3.43Å; S860-E862 PolarHBondContact OG-N 3.25Å; S860-E862 PolarHBondContact OG-OE2 3.24Å
863	D	87.9	Confident	91.7	Very high	35 Å²	35	42.6 Å²	42.6	19%	0.187	23%	0.232	C	C	.	.	S	Bend	trans	-87.9	129.1	168.1	176.7	-38.9	0	0	0	109.8	R742 N865 W866	R742-D863 IonicContact CZ-OD2 3.82Å; R742-D863 VanDerWaalsContact NH1-CB 3.34Å; R742-D863 IonicContact NH1-OD2 2.59Å; R742-D863 PolarHBondContact NH1-OD2 3.49Å; R742-D863 IonicContact NH2-OD2 2.75Å; R742-D863 PolarHBondContact NH2-OD2 3.35Å; D863-N865 VanDerWaalsContact C-N 3.29Å; D863-N865 PolarHBondContact O-N 3.39Å; D863-N865 WeakPolarHBondContact OD1-CA 3.14Å; D863-N865 WeakPolarHBondContact OD1-CB 3.44Å; D863-N865 PolarHBondContact OD1-N 3.42Å; D863-W866 WeakPolarHBondContact CB-O 3.48Å; D863-W866 PolarHBondContact OD1-N 3.3Å
864	P	88.6	Confident	91.3	Very high	87 Å²	87	43.5 Å²	43.5	57%	0.565	23%	0.226	S	C	*	.	S	Bend	trans	-75.7	-11.6	-175.8	31.2	-35.8	0	0	0	114.4	S885 S887	P864-S885 VanDerWaalsContact O-CB 3.25Å; P864-S885 WeakPolarHBondContact O-CB 3.46Å; P864-S885 PolarHBondContact O-OG 2.96Å; P864-S887 PolarHBondContact O-OG 3.44Å
865	N	91.1	Very high	89.9	Confident	58 Å²	58	50.8 Å²	50.8	31%	0.31	26%	0.258	S	S	.	.	S	Bend	trans	-109.4	-31.2	-179.6	-68.7	89.6	0	0	0	112.8	D863 S885 F888	D863-N865 VanDerWaalsContact C-N 3.29Å; D863-N865 PolarHBondContact O-N 3.39Å; D863-N865 WeakPolarHBondContact OD1-CA 3.14Å; D863-N865 WeakPolarHBondContact OD1-CB 3.44Å; D863-N865 PolarHBondContact OD1-N 3.42Å; N865-S885 WeakPolarHBondContact CA-OG 3.21Å; N865-S885 WeakPolarHBondContact O-CB 3.46Å; N865-S885 PolarHBondContact O-N 2.72Å; N865-S885 PolarHBondContact O-OG 2.94Å; N865-F888 HydrophobicContact CB-CB 4.44Å; N865-F888 HydrophobicContact CB-CG 4.34Å; N865-F888 VanDerWaalsContact ND2-CD2 3.31Å; N865-F888 WeakPolarHBondContact ND2-CD2 3.49Å
866	W	93.9	Very high	88.7	Confident	13 Å²	13	57.4 Å²	57.4	5%	0.049	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	100.9	-172	-65.8	100.9	0	0	0	112.4	Y833 D838 Y840 I841 P842 D863 L882 I883 P884 F888	Y833-W866 WeakPolarHBondContact OH-CH2 3.45Å; Y833-W866 WeakPolarHBondContact OH-CZ3 3.31Å; D838-W866 WeakPolarHBondContact OD2-CH2 3.38Å; Y840-W866 VanDerWaalsContact O-CZ2 3.25Å; Y840-W866 WeakPolarHBondContact O-CZ2 3.36Å; I841-W866 HydrophobicContact CB-CH2 3.75Å; I841-W866 HydrophobicContact CB-CZ2 4.2Å; I841-W866 HydrophobicContact CB-CZ3 4.18Å; I841-W866 HydrophobicContact CD1-CZ3 4.16Å; I841-W866 HydrophobicContact CG1-CE3 4.35Å; I841-W866 HydrophobicContact CG1-CH2 3.98Å; I841-W866 HydrophobicContact CG1-CZ3 3.88Å; P842-W866 VanDerWaalsContact CD-CE2 3.5Å; P842-W866 HydrophobicContact CG-CD2 4.41Å; P842-W866 HydrophobicContact CG-CG 4.07Å; D863-W866 WeakPolarHBondContact CB-O 3.48Å; D863-W866 PolarHBondContact OD1-N 3.3Å; W866-L882 HydrophobicContact CE3-CB 4.35Å; W866-I883 CarbonylContact C-O 3.46Å; W866-I883 WeakPolarHBondContact CA-O 3.16Å; W866-P884 HydrophobicContact CZ3-CB 4.26Å; W866-F888 AromaticContact CE2-CE1 3.98Å; W866-F888 HydrophobicContact CH2-CE1 4.18Å; W866-F888 HydrophobicContact CZ2-CD1 4.22Å; W866-F888 AromaticContact CZ2-CE1 3.52Å; W866-F888 HydrophobicContact CZ2-CE1 3.52Å; W866-F888 HydrophobicContact CZ2-CZ 4.41Å
867	W	95.2	Very high	87.7	Confident	26 Å²	26	59.3 Å²	59.3	10%	0.098	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	149.2	178.3	-66.2	-11	0	0	0	111.4	V858 R861 L882 I883 Q886 Y959	V858-W867 HydrophobicContact CG1-CB 3.92Å; V858-W867 HydrophobicContact CG1-CD2 4.19Å; V858-W867 HydrophobicContact CG1-CE3 3.99Å; V858-W867 HydrophobicContact CG1-CG 4.21Å; V858-W867 HydrophobicContact CG2-CE3 4.18Å; R861-W867 HydrophobicContact CB-CG 4.44Å; R861-W867 HydrophobicContact CG-CD2 3.99Å; R861-W867 HydrophobicContact CG-CG 4.07Å; R861-W867 HydrophobicContact CG-CZ2 4.43Å; W867-L882 WeakPolarHBondContact O-CA 3.18Å; W867-I883 HydrophobicContact CB-CD1 4.45Å; W867-I883 HydrophobicContact CB-CG1 3.92Å; W867-I883 PolarHBondContact N-O 3.02Å; W867-I883 PolarHBondContact O-N 3.08Å; W867-Q886 HydrophobicContact CH2-CB 3.49Å; W867-Q886 VanDerWaalsContact CH2-CB 3.49Å; W867-Q886 HydrophobicContact CZ2-CB 4.16Å; W867-Q886 HydrophobicContact CZ3-CB 4.06Å; W867-Y959 HydrophobicContact CZ3-CD2 4.34Å
868	Q	94.4	Very high	87.1	Confident	7 Å²	7	60.7 Å²	60.7	3%	0.033	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	127.5	173	-53.4	-167.8	31.4	0	0	109.6	I743 I859 S860 A880 G881 L882	I743-Q868 PolarHBondContact O-NE2 3.18Å; I859-Q868 HydrophobicContact CG1-CB 4.32Å; I859-Q868 VanDerWaalsContact CG1-O 3.31Å; I859-Q868 WeakPolarHBondContact CG1-O 3.49Å; I859-Q868 PolarHBondContact N-O 3.47Å; S860-Q868 PolarHBondContact N-O 3.01Å; S860-Q868 PolarHBondContact O-N 3.44Å; Q868-A880 HydrophobicContact CB-CB 4.13Å; Q868-G881 WeakPolarHBondContact CA-O 3.46Å; Q868-L882 HydrophobicContact CG-CD2 4.19Å
869	A	94.7	Very high	86.8	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	160.2	-174.9	0	0	0	0	0	113.1	I848 H857 V858 G881 I883	I848-A869 HydrophobicContact CD1-CB 4.44Å; I848-A869 WeakPolarHBondContact CD1-O 3.35Å; H857-A869 WeakPolarHBondContact O-CA 3.42Å; V858-A869 HydrophobicContact CB-CB 4.5Å; V858-A869 HydrophobicContact CG2-CB 4.13Å; A869-G881 PolarHBondContact N-O 3.41Å; A869-G881 PolarHBondContact O-N 3.42Å; A869-I883 HydrophobicContact CB-CD1 3.82Å; A869-I883 HydrophobicContact CB-CG1 4.26Å
870	Y	92.8	Very high	86.7	Confident	55 Å²	55	58.5 Å²	58.5	22%	0.216	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	154.7	163.7	-62.9	-76.6	0	0	0	110.3	L856 H857 I859 Q877 T878 L879 A880	L856-Y870 CarbonylContact C-O 3.56Å; L856-Y870 WeakPolarHBondContact CA-O 3.35Å; H857-Y870 PolarHBondContact N-O 2.93Å; H857-Y870 PolarHBondContact O-N 3.29Å; H857-Y870 VanDerWaalsContact O-N 3.07Å; I859-Y870 HydrophobicContact CD1-CD2 4.13Å; I859-Y870 HydrophobicContact CD1-CE2 3.6Å; I859-Y870 HydrophobicContact CG2-CD2 4.13Å; I859-Y870 HydrophobicContact CG2-CE2 4.28Å; Y870-Q877 WeakPolarHBondContact CE1-O 3.5Å; Y870-T878 PolarHBondContact OH-O 2.87Å; Y870-L879 VanDerWaalsContact CE1-C 3.44Å; Y870-L879 WeakPolarHBondContact CE1-O 3.27Å; Y870-A880 HydrophobicContact CE1-CB 4.13Å; Y870-A880 HydrophobicContact CE2-CB 4.27Å
871	R	93.1	Very high	86.8	Confident	29 Å²	29	58.1 Å²	58.1	11%	0.109	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	133.7	173.9	-174.3	163.2	64.5	175.2	2.5	110.6	S849 L856 G873 E874	S849-R871 PolarHBondContact O-NH1 3.13Å; L856-R871 HydrophobicContact CD2-CB 4.18Å; L856-R871 HydrophobicContact CD2-CG 4.15Å; R871-G873 PolarHBondContact O-N 3.31Å; R871-E874 IonicContact CZ-OE1 3.43Å; R871-E874 IonicContact CZ-OE2 3.67Å; R871-E874 IonicContact NE-OE2 2.79Å; R871-E874 PolarHBondContact NE-OE2 2.96Å; R871-E874 IonicContact NH2-OE1 3.59Å; R871-E874 PolarHBondContact NH2-OE1 3.3Å; R871-E874 IonicContact NH2-OE2 3.12Å; R871-E874 PolarHBondContact NH2-OE2 3.4Å; R871-E874 PolarHBondContact O-N 3.01Å
872	E	88.4	Confident	86.9	Confident	90 Å²	90	52.7 Å²	52.7	42%	0.421	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	128.3	177.1	179.1	76.2	138.1	0	0	110.9	V855 H857 W1160	V855-E872 HydrophobicContact CB-CB 3.91Å; V855-E872 HydrophobicContact CB-CG 4.42Å; V855-E872 HydrophobicContact CG1-CB 4.39Å; V855-E872 VanDerWaalsContact O-CB 3.3Å; V855-E872 WeakPolarHBondContact O-CB 3.42Å; V855-E872 PolarHBondContact O-N 3.18Å; H857-E872 IonicContact CD2-OE2 2.86Å; H857-E872 IonicContact CE1-OE2 2.76Å; H857-E872 PolarHBondContact CE1-OE2 3.29Å; H857-E872 IonicContact NE2-OE2 3.29Å; H857-E872 PolarHBondContact NE2-OE2 3.02Å; E872-W1160 PolarHBondContact OE1-NE1 3.03Å
873	G	82.1	Confident	87.3	Confident	66 Å²	66	46.6 Å²	46.6	68%	0.68	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	6.9	-179.4	0	0	0	0	0	116.3	R871	R871-G873 PolarHBondContact O-N 3.31Å
874	E	79.9	Confident	87.6	Confident	57 Å²	57	44.9 Å²	44.9	27%	0.266	24%	0.242	S	C	.	.			trans	-115	61.2	170.6	-74	-179	144	0	0	111.7	R871 D876 Q877	R871-E874 IonicContact CZ-OE1 3.43Å; R871-E874 IonicContact CZ-OE2 3.67Å; R871-E874 IonicContact NE-OE2 2.79Å; R871-E874 PolarHBondContact NE-OE2 2.96Å; R871-E874 IonicContact NH2-OE1 3.59Å; R871-E874 PolarHBondContact NH2-OE1 3.3Å; R871-E874 IonicContact NH2-OE2 3.12Å; R871-E874 PolarHBondContact NH2-OE2 3.4Å; R871-E874 PolarHBondContact O-N 3.01Å; E874-D876 PolarHBondContact O-N 2.91Å; E874-D876 VanDerWaalsContact O-N 3.12Å; E874-Q877 PolarHBondContact O-N 2.98Å; E874-Q877 VanDerWaalsContact O-N 3.17Å
875	E	63.5	Low	87.8	Confident	195 Å²	195	40.8 Å²	40.8	91%	0.911	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.4	-179	-60.4	-178.1	175.8	0	0	114.2	Q877	E875-Q877 VanDerWaalsContact C-N 3.26Å; E875-Q877 PolarHBondContact O-N 3.27Å
876	D	68.7	Low	87.8	Confident	151 Å²	151	42 Å²	42	81%	0.807	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-11.6	176.9	-65.8	-39.2	0	0	0	113.6	E874 T878	E874-D876 PolarHBondContact O-N 2.91Å; E874-D876 VanDerWaalsContact O-N 3.12Å; D876-T878 PolarHBondContact O-N 3.39Å
877	Q	75.7	Confident	87.5	Confident	39 Å²	39	44.8 Å²	44.8	18%	0.182	24%	0.24	C	C	.	.			trans	-89.9	108.6	-170.6	-155.8	177.7	34	0	0	111.9	F339 Y870 E874 E875	F339-Q877 HydrophobicContact CE2-CG 4.11Å; F339-Q877 HydrophobicContact CZ-CG 4.49Å; F339-Q877 VanDerWaalsContact CZ-NE2 3.33Å; Y870-Q877 WeakPolarHBondContact CE1-O 3.5Å; E874-Q877 PolarHBondContact O-N 2.98Å; E874-Q877 VanDerWaalsContact O-N 3.17Å; E875-Q877 VanDerWaalsContact C-N 3.26Å; E875-Q877 PolarHBondContact O-N 3.27Å
878	T	80.4	Confident	87.2	Confident	61 Å²	61	44.2 Å²	44.2	37%	0.374	24%	0.238	S	C	.	.			trans	-82.5	-37.1	-175.1	62.1	0	0	0	0	113.9	E725 Y870 D876	E725-T878 WeakPolarHBondContact OE2-CB 3.31Å; E725-T878 WeakPolarHBondContact OE2-CG2 3.28Å; E725-T878 PolarHBondContact OE2-OG1 3.32Å; Y870-T878 PolarHBondContact OH-O 2.87Å; D876-T878 PolarHBondContact O-N 3.39Å
879	L	88.1	Confident	87	Confident	6 Å²	6	44.2 Å²	44.2	3%	0.031	24%	0.238	C	C	.	.	S	Bend	trans	-85.6	141.7	170.5	-66.7	-167.2	0	0	0	111.7	P726 V744 L846 Y870	P726-L879 HydrophobicContact CB-CD1 3.85Å; P726-L879 HydrophobicContact CG-CD1 3.46Å; P726-L879 VanDerWaalsContact CG-CD1 3.46Å; P726-L879 HydrophobicContact CG-CG 3.95Å; V744-L879 HydrophobicContact CG1-CB 4.09Å; V744-L879 HydrophobicContact CG1-CD1 4.28Å; V744-L879 HydrophobicContact CG1-CD2 4.29Å; V744-L879 HydrophobicContact CG1-CG 4.47Å; L846-L879 HydrophobicContact CD2-CD1 4.33Å; Y870-L879 VanDerWaalsContact CE1-C 3.44Å; Y870-L879 WeakPolarHBondContact CE1-O 3.27Å
880	A	91.6	Very high	86.6	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.008	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-73.3	144.6	169.7	0	0	0	0	0	112.2	V744 R745 I859 Q868 Y870	V744-A880 VanDerWaalsContact CG1-O 3.32Å; V744-A880 WeakPolarHBondContact CG1-O 3.34Å; R745-A880 HydrophobicContact CB-CB 4.24Å; R745-A880 PolarHBondContact O-N 3.01Å; I859-A880 HydrophobicContact CD1-CB 3.51Å; I859-A880 HydrophobicContact CG1-CB 4.29Å; Q868-A880 HydrophobicContact CB-CB 4.13Å; Y870-A880 HydrophobicContact CE1-CB 4.13Å; Y870-A880 HydrophobicContact CE2-CB 4.27Å
881	G	92.7	Very high	86.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	159.7	175.9	0	0	0	0	0	113.3	L846 Q868 A869	L846-G881 CarbonylContact O-C 3.55Å; L846-G881 WeakPolarHBondContact O-CA 3.37Å; Q868-G881 WeakPolarHBondContact CA-O 3.46Å; A869-G881 PolarHBondContact N-O 3.41Å; A869-G881 PolarHBondContact O-N 3.42Å
882	L	94.9	Very high	85.8	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	134.2	173.2	-61.9	179.4	0	0	0	111	I841 L846 I848 W866 W867 Q868	I841-L882 HydrophobicContact CD1-CB 4.44Å; L846-L882 HydrophobicContact CB-CD1 4.08Å; L846-L882 HydrophobicContact CB-CG 4Å; L846-L882 PolarHBondContact O-N 2.94Å; I848-L882 PolarHBondContact N-O 2.98Å; W866-L882 HydrophobicContact CE3-CB 4.35Å; W867-L882 WeakPolarHBondContact O-CA 3.18Å; Q868-L882 HydrophobicContact CG-CD2 4.19Å
883	I	95.4	Very high	85.4	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.7	169	65.2	174.5	0	0	0	110.3	I848 F850 L856 V858 W866 W867 A869 S885	I848-I883 HydrophobicContact CD1-CG2 3.79Å; I848-I883 HydrophobicContact CG1-CG2 3.49Å; I848-I883 VanDerWaalsContact CG1-CG2 3.49Å; F850-I883 HydrophobicContact CD1-CG2 4.07Å; F850-I883 HydrophobicContact CE1-CB 3.99Å; F850-I883 HydrophobicContact CE1-CG2 3.69Å; L856-I883 HydrophobicContact CD1-CD1 3.87Å; L856-I883 HydrophobicContact CD1-CG2 4.42Å; V858-I883 HydrophobicContact CG2-CD1 3.99Å; W866-I883 CarbonylContact C-O 3.46Å; W866-I883 WeakPolarHBondContact CA-O 3.16Å; W867-I883 HydrophobicContact CB-CD1 4.45Å; W867-I883 HydrophobicContact CB-CG1 3.92Å; W867-I883 PolarHBondContact N-O 3.02Å; W867-I883 PolarHBondContact O-N 3.08Å; A869-I883 HydrophobicContact CB-CD1 3.82Å; A869-I883 HydrophobicContact CB-CG1 4.26Å; I883-S885 PolarHBondContact O-N 2.95Å
884	P	95	Very high	85.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	136.9	172.9	27.2	-34.8	0	0	0	110.1	F831 Y833 W866 F888 Y959	F831-P884 HydrophobicContact CE2-CG 4.36Å; F831-P884 HydrophobicContact CZ-CG 4.22Å; Y833-P884 HydrophobicContact CD2-CG 3.99Å; Y833-P884 HydrophobicContact CE2-CG 3.92Å; Y833-P884 HydrophobicContact CG-CG 4.34Å; W866-P884 HydrophobicContact CZ3-CB 4.26Å; P884-F888 HydrophobicContact CB-CD1 4.03Å; P884-Y959 VanDerWaalsContact O-CE2 3.3Å; P884-Y959 WeakPolarHBondContact O-CE2 3.46Å; P884-Y959 PolarHBondContact O-OH 3.18Å
885	S	92.7	Very high	85.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.246	C	C	.	.			trans	-66	160.2	176.6	74.3	0	0	0	0	112	P864 N865 I883 S887 F888 Q889	P864-S885 VanDerWaalsContact O-CB 3.25Å; P864-S885 WeakPolarHBondContact O-CB 3.46Å; P864-S885 PolarHBondContact O-OG 2.96Å; N865-S885 WeakPolarHBondContact CA-OG 3.21Å; N865-S885 WeakPolarHBondContact O-CB 3.46Å; N865-S885 PolarHBondContact O-N 2.72Å; N865-S885 PolarHBondContact O-OG 2.94Å; I883-S885 PolarHBondContact O-N 2.95Å; S885-S887 VanDerWaalsContact C-N 3.29Å; S885-S887 PolarHBondContact O-N 3.41Å; S885-S887 PolarHBondContact OG-OG 2.8Å; S885-F888 PolarHBondContact O-N 3.03Å; S885-F888 VanDerWaalsContact OG-CB 3.24Å; S885-F888 WeakPolarHBondContact OG-CB 3.24Å; S885-F888 PolarHBondContact OG-N 3.06Å; S885-F888 VanDerWaalsContact OG-N 3.08Å; S885-Q889 WeakPolarHBondContact O-CB 3.49Å; S885-Q889 PolarHBondContact O-N 2.89Å
886	Q	90.9	Very high	85.9	Confident	84 Å²	84	44.7 Å²	44.7	39%	0.393	23%	0.226	S	C	.	.	H	α-helix	trans	-59.2	-39.9	177.4	-174.3	169.2	34.3	0	0	112.7	W867 H890 T958 Y959	W867-Q886 HydrophobicContact CH2-CB 3.49Å; W867-Q886 VanDerWaalsContact CH2-CB 3.49Å; W867-Q886 HydrophobicContact CZ2-CB 4.16Å; W867-Q886 HydrophobicContact CZ3-CB 4.06Å; Q886-H890 VanDerWaalsContact O-CB 3.29Å; Q886-H890 WeakPolarHBondContact O-CB 3.34Å; Q886-H890 PolarHBondContact O-N 3.12Å; Q886-T958 HydrophobicContact CG-CG2 4.33Å; Q886-T958 PolarHBondContact NE2-OG1 2.89Å; Q886-Y959 HydrophobicContact CB-CD2 4.04Å; Q886-Y959 HydrophobicContact CG-CD2 4.45Å; Q886-Y959 PolarHBondContact NE2-O 3.04Å
887	S	87.8	Confident	86.3	Confident	71 Å²	71	41.2 Å²	41.2	50%	0.497	21%	0.207	S	C	.	.	H	α-helix	trans	-65.6	-46	175.9	36.8	0	0	0	0	111.8	P864 S885 H890 Q891	P864-S887 PolarHBondContact O-OG 3.44Å; S885-S887 VanDerWaalsContact C-N 3.29Å; S885-S887 PolarHBondContact O-N 3.41Å; S885-S887 PolarHBondContact OG-OG 2.8Å; S887-H890 PolarHBondContact O-N 3.39Å; S887-Q891 WeakPolarHBondContact O-CB 3.36Å; S887-Q891 PolarHBondContact O-N 3.37Å
888	F	89.2	Confident	86.2	Confident	14 Å²	14	42.2 Å²	42.2	6%	0.061	22%	0.222	C	C	.	.	H	α-helix	trans	-68.2	-39.7	-179.1	-174.8	-129.9	0	0	0	112.2	Y840 N865 W866 P884 S885 Q891 R892	Y840-F888 HydrophobicContact CG-CZ 4.38Å; N865-F888 HydrophobicContact CB-CB 4.44Å; N865-F888 HydrophobicContact CB-CG 4.34Å; N865-F888 VanDerWaalsContact ND2-CD2 3.31Å; N865-F888 WeakPolarHBondContact ND2-CD2 3.49Å; W866-F888 AromaticContact CE2-CE1 3.98Å; W866-F888 HydrophobicContact CH2-CE1 4.18Å; W866-F888 HydrophobicContact CZ2-CD1 4.22Å; W866-F888 AromaticContact CZ2-CE1 3.52Å; W866-F888 HydrophobicContact CZ2-CE1 3.52Å; W866-F888 HydrophobicContact CZ2-CZ 4.41Å; P884-F888 HydrophobicContact CB-CD1 4.03Å; S885-F888 PolarHBondContact O-N 3.03Å; S885-F888 VanDerWaalsContact OG-CB 3.24Å; S885-F888 WeakPolarHBondContact OG-CB 3.24Å; S885-F888 PolarHBondContact OG-N 3.06Å; S885-F888 VanDerWaalsContact OG-N 3.08Å; F888-Q891 WeakPolarHBondContact O-CB 3.42Å; F888-Q891 PolarHBondContact O-N 3Å; F888-R892 HydrophobicContact CE2-CG 4.36Å; F888-R892 HydrophobicContact CZ-CG 4.42Å; F888-R892 VanDerWaalsContact O-CG 3.27Å; F888-R892 WeakPolarHBondContact O-CG 3.47Å; F888-R892 PolarHBondContact O-N 3.07Å
889	Q	90.1	Very high	86	Confident	8 Å²	8	43.6 Å²	43.6	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-66.2	-39.3	173.4	-178.2	62.1	6.3	0	0	112.2	F831 S885 Q891 R892 E893 T958	F831-Q889 HydrophobicContact CD1-CG 4.18Å; F831-Q889 HydrophobicContact CD2-CG 4.38Å; F831-Q889 VanDerWaalsContact CD2-NE2 3.35Å; F831-Q889 HydrophobicContact CE1-CG 3.75Å; F831-Q889 HydrophobicContact CE2-CG 3.93Å; F831-Q889 HydrophobicContact CG-CG 4.5Å; F831-Q889 HydrophobicContact CZ-CB 4.26Å; F831-Q889 HydrophobicContact CZ-CG 3.6Å; S885-Q889 WeakPolarHBondContact O-CB 3.49Å; S885-Q889 PolarHBondContact O-N 2.89Å; Q889-Q891 VanDerWaalsContact C-N 3.31Å; Q889-Q891 PolarHBondContact O-N 2.71Å; Q889-R892 PolarHBondContact O-N 2.94Å; Q889-E893 PolarHBondContact O-N 2.96Å; Q889-T958 HydrophobicContact CB-CG2 4.11Å; Q889-T958 HydrophobicContact CG-CG2 3.93Å
890	H	86.6	Confident	85.2	Confident	94 Å²	94	46.1 Å²	46.1	44%	0.435	25%	0.248	S	C	.	.	H	α-helix	trans	-60	-42.6	174.1	-169.8	107.3	0	0	0	111.5	Q886 S887 T894 T958	Q886-H890 VanDerWaalsContact O-CB 3.29Å; Q886-H890 WeakPolarHBondContact O-CB 3.34Å; Q886-H890 PolarHBondContact O-N 3.12Å; S887-H890 PolarHBondContact O-N 3.39Å; H890-T894 VanDerWaalsContact O-CB 3.31Å; H890-T894 WeakPolarHBondContact O-CB 3.5Å; H890-T894 PolarHBondContact O-N 3.03Å; H890-T894 PolarHBondContact O-OG1 3.41Å; H890-T958 HydrophobicContact CB-CG2 4.28Å
891	Q	83	Confident	84	Confident	48 Å²	48	52.3 Å²	52.3	22%	0.224	28%	0.277	C	S	.	.	H	α-helix	trans	-63.4	-45.2	176.8	-170.7	177.8	34.7	0	0	112.2	I311 M315 S887 F888 Q889 T894 M895	I311-Q891 VanDerWaalsContact CG2-NE2 3.28Å; M315-Q891 HydrophobicContact CE-CG 4.4Å; M315-Q891 HydrophobicContact CG-CG 4.35Å; M315-Q891 HydrophobicContact SD-CG 4.13Å; S887-Q891 WeakPolarHBondContact O-CB 3.36Å; S887-Q891 PolarHBondContact O-N 3.37Å; F888-Q891 WeakPolarHBondContact O-CB 3.42Å; F888-Q891 PolarHBondContact O-N 3Å; Q889-Q891 VanDerWaalsContact C-N 3.31Å; Q889-Q891 PolarHBondContact O-N 2.71Å; Q891-T894 PolarHBondContact O-N 2.8Å; Q891-M895 PolarHBondContact O-N 3.23Å
892	R	84.5	Confident	82.3	Confident	66 Å²	66	59.2 Å²	59.2	25%	0.249	31%	0.309	C	S	.	.	H	α-helix	trans	-59.1	-50.8	176.9	-72.7	164.1	74.5	149.5	4.1	112.2	D838 F888 Q889 M895 K896	D838-R892 VanDerWaalsContact CG-NH2 3.31Å; D838-R892 IonicContact OD1-CZ 3.89Å; D838-R892 IonicContact OD1-NH1 3.45Å; D838-R892 IonicContact OD1-NH2 3.12Å; D838-R892 PolarHBondContact OD1-NH2 2.83Å; D838-R892 IonicContact OD2-CZ 2.6Å; D838-R892 VanDerWaalsContact OD2-CZ 3.25Å; D838-R892 IonicContact OD2-NH1 3.9Å; D838-R892 PolarHBondContact OD2-NH1 3.11Å; D838-R892 IonicContact OD2-NH2 3.67Å; D838-R892 PolarHBondContact OD2-NH2 2.94Å; F888-R892 HydrophobicContact CE2-CG 4.36Å; F888-R892 HydrophobicContact CZ-CG 4.42Å; F888-R892 VanDerWaalsContact O-CG 3.27Å; F888-R892 WeakPolarHBondContact O-CG 3.47Å; F888-R892 PolarHBondContact O-N 3.07Å; Q889-R892 PolarHBondContact O-N 2.94Å; R892-M895 PolarHBondContact O-N 3.47Å; R892-K896 VanDerWaalsContact O-CB 3.27Å; R892-K896 WeakPolarHBondContact O-CB 3.38Å; R892-K896 PolarHBondContact O-N 3.31Å
893	E	81.5	Confident	80.5	Confident	45 Å²	45	61.5 Å²	61.5	21%	0.21	33%	0.328	C	S	.	.	H	α-helix	trans	-68.5	-36.5	178.8	-71.2	-61.2	138.6	0	0	112.2	Q889 M895 K896 L897 I956	Q889-E893 PolarHBondContact O-N 2.96Å; E893-M895 PolarHBondContact O-N 2.89Å; E893-K896 PolarHBondContact O-N 3.43Å; E893-K896 IonicContact OE1-NZ 3.93Å; E893-K896 PolarHBondContact OE1-NZ 2.99Å; E893-K896 WeakPolarHBondContact OE2-CD 3.49Å; E893-K896 WeakPolarHBondContact OE2-CE 3.44Å; E893-K896 IonicContact OE2-NZ 2.69Å; E893-K896 PolarHBondContact OE2-NZ 3.13Å; E893-L897 WeakPolarHBondContact O-CB 3.46Å; E893-L897 VanDerWaalsContact O-CG 3.28Å; E893-L897 WeakPolarHBondContact O-CG 3.5Å; E893-L897 PolarHBondContact O-N 3.32Å; E893-I956 HydrophobicContact CB-CG2 3.56Å; E893-I956 HydrophobicContact CG-CG2 4.14Å
894	T	81.1	Confident	78.4	Confident	63 Å²	63	63.5 Å²	63.5	39%	0.387	35%	0.349	S	S	.	.	H	α-helix	trans	-59.1	-46.7	173.1	-59.1	0	0	0	0	111.5	H890 Q891 L897 A898 I956	H890-T894 VanDerWaalsContact O-CB 3.31Å; H890-T894 WeakPolarHBondContact O-CB 3.5Å; H890-T894 PolarHBondContact O-N 3.03Å; H890-T894 PolarHBondContact O-OG1 3.41Å; Q891-T894 PolarHBondContact O-N 2.8Å; T894-L897 PolarHBondContact O-N 2.93Å; T894-A898 PolarHBondContact O-N 3.01Å; T894-I956 VanDerWaalsContact OG1-CD1 3.26Å; T894-I956 WeakPolarHBondContact OG1-CD1 3.44Å
895	M	75	Confident	76.2	Confident	69 Å²	69	68.3 Å²	68.3	34%	0.34	37%	0.374	S	S	.	.	H	α-helix	trans	-64.1	-44.7	177.6	-167.7	-158.7	-170.4	0	0	111.6	M315 L319 Q891 R892 E893 L897 A898 I899	M315-M895 HydrophobicContact CE-CB 4.21Å; M315-M895 HydrophobicContact CE-CE 4.31Å; M315-M895 HydrophobicContact CE-CG 4.02Å; M315-M895 HydrophobicContact CE-SD 3.73Å; L319-M895 HydrophobicContact CD1-CE 3.35Å; L319-M895 HydrophobicContact CD1-SD 4.36Å; L319-M895 HydrophobicContact CD2-CE 3.91Å; L319-M895 HydrophobicContact CG-CE 4.3Å; Q891-M895 PolarHBondContact O-N 3.23Å; R892-M895 PolarHBondContact O-N 3.47Å; E893-M895 PolarHBondContact O-N 2.89Å; M895-L897 VanDerWaalsContact C-N 3.33Å; M895-L897 PolarHBondContact O-N 3.37Å; M895-A898 PolarHBondContact O-N 2.85Å; M895-I899 HydrophobicContact CE-CD1 4.09Å; M895-I899 HydrophobicContact CG-CD1 3.97Å; M895-I899 VanDerWaalsContact O-CG1 3.31Å; M895-I899 WeakPolarHBondContact O-CG1 3.5Å; M895-I899 PolarHBondContact O-N 3.01Å; M895-I899 HydrophobicContact SD-CD1 4.17Å
896	K	79.2	Confident	73.6	Confident	117 Å²	117	71 Å²	71	51%	0.509	40%	0.396	S	S	.	.	H	α-helix	trans	-60.3	-39.8	177.4	176.2	178.9	161.3	-143.7	0	112.3	R892 E893 A900	R892-K896 VanDerWaalsContact O-CB 3.27Å; R892-K896 WeakPolarHBondContact O-CB 3.38Å; R892-K896 PolarHBondContact O-N 3.31Å; E893-K896 PolarHBondContact O-N 3.43Å; E893-K896 IonicContact OE1-NZ 3.93Å; E893-K896 PolarHBondContact OE1-NZ 2.99Å; E893-K896 WeakPolarHBondContact OE2-CD 3.49Å; E893-K896 WeakPolarHBondContact OE2-CE 3.44Å; E893-K896 IonicContact OE2-NZ 2.69Å; E893-K896 PolarHBondContact OE2-NZ 3.13Å; K896-A900 VanDerWaalsContact O-CB 3.28Å; K896-A900 WeakPolarHBondContact O-CB 3.25Å; K896-A900 PolarHBondContact O-N 3.44Å
897	L	76.6	Confident	71.3	Confident	78 Å²	78	77.7 Å²	77.7	41%	0.408	42%	0.418	S	S	.	.	H	α-helix	trans	-66	-43.7	173	-73.3	169.5	0	0	0	112	E893 T894 M895 A900 E901 I956	E893-L897 WeakPolarHBondContact O-CB 3.46Å; E893-L897 VanDerWaalsContact O-CG 3.28Å; E893-L897 WeakPolarHBondContact O-CG 3.5Å; E893-L897 PolarHBondContact O-N 3.32Å; T894-L897 PolarHBondContact O-N 2.93Å; M895-L897 VanDerWaalsContact C-N 3.33Å; M895-L897 PolarHBondContact O-N 3.37Å; L897-A900 PolarHBondContact O-N 3.05Å; L897-E901 PolarHBondContact O-N 2.98Å; L897-I956 HydrophobicContact CD1-CG1 4.4Å
898	A	74.9	Confident	69	Low	59 Å²	59	79.2 Å²	79.2	49%	0.488	43%	0.428	S	S	.	.	H	α-helix	trans	-62	-43.9	176.7	0	0	0	0	0	112.4	T894 M895 A900 E901 E902	T894-A898 PolarHBondContact O-N 3.01Å; M895-A898 PolarHBondContact O-N 2.85Å; A898-A900 VanDerWaalsContact C-N 3.33Å; A898-A900 PolarHBondContact O-N 3.48Å; A898-E901 PolarHBondContact O-N 3.26Å; A898-E902 PolarHBondContact O-N 2.96Å
899	I	75.6	Confident	66.6	Low	91 Å²	91	88.4 Å²	88.4	47%	0.467	46%	0.463	S	S	.	.	H	α-helix	trans	-63.1	-40.2	174.1	-65.2	162.6	0	0	0	110.8	M895 E902 A903	M895-I899 HydrophobicContact CE-CD1 4.09Å; M895-I899 HydrophobicContact CG-CD1 3.97Å; M895-I899 VanDerWaalsContact O-CG1 3.31Å; M895-I899 WeakPolarHBondContact O-CG1 3.5Å; M895-I899 PolarHBondContact O-N 3.01Å; M895-I899 HydrophobicContact SD-CD1 4.17Å; I899-E902 PolarHBondContact O-N 3.28Å; I899-A903 VanDerWaalsContact O-CB 3.26Å; I899-A903 WeakPolarHBondContact O-CB 3.43Å; I899-A903 PolarHBondContact O-N 2.86Å
900	A	71.4	Confident	64.2	Low	59 Å²	59	91.5 Å²	91.5	49%	0.488	50%	0.496	S	S	.	.	H	α-helix	trans	-66.6	-37.5	177.7	0	0	0	0	0	112.6	K896 L897 A898 G904	K896-A900 VanDerWaalsContact O-CB 3.28Å; K896-A900 WeakPolarHBondContact O-CB 3.25Å; K896-A900 PolarHBondContact O-N 3.44Å; L897-A900 PolarHBondContact O-N 3.05Å; A898-A900 VanDerWaalsContact C-N 3.33Å; A898-A900 PolarHBondContact O-N 3.48Å; A900-G904 PolarHBondContact O-N 2.81Å
901	E	66.1	Low	61.9	Low	130 Å²	130	95.4 Å²	95.4	61%	0.607	51%	0.512	S	S	*	.	H	α-helix	trans	-64	-47.9	172.4	-172.3	175.9	-171.7	0	0	110.9	L897 A898 A903 G904 L905	L897-E901 PolarHBondContact O-N 2.98Å; A898-E901 PolarHBondContact O-N 3.26Å; E901-A903 PolarHBondContact O-N 3.15Å; E901-G904 PolarHBondContact O-N 3.35Å; E901-L905 HydrophobicContact CG-CD1 4.07Å; E901-L905 WeakPolarHBondContact O-CB 3.35Å; E901-L905 VanDerWaalsContact O-CG 3.3Å; E901-L905 WeakPolarHBondContact O-CG 3.44Å; E901-L905 PolarHBondContact O-N 3.21Å
902	E	57.6	Low	59.5	Low	146 Å²	146	100.4 Å²	100.4	68%	0.682	54%	0.54	S	S	*	.	H	α-helix	trans	-61.8	-44.4	177.4	-173.5	172.4	-159.8	0	0	112.1	A898 I899 G904 L905 A906	A898-E902 PolarHBondContact O-N 2.96Å; I899-E902 PolarHBondContact O-N 3.28Å; E902-G904 VanDerWaalsContact C-N 3.32Å; E902-G904 PolarHBondContact O-N 3.5Å; E902-L905 PolarHBondContact O-N 3.48Å; E902-A906 WeakPolarHBondContact O-CB 3.49Å; E902-A906 PolarHBondContact O-N 2.77Å
903	A	55.8	Low	57.1	Low	50 Å²	50	101.2 Å²	101.2	41%	0.413	57%	0.57	S	S	.	*	H	α-helix	trans	-65.3	-34.2	176.6	0	0	0	0	0	112.7	I899 E901 A906 R907	I899-A903 VanDerWaalsContact O-CB 3.26Å; I899-A903 WeakPolarHBondContact O-CB 3.43Å; I899-A903 PolarHBondContact O-N 2.86Å; E901-A903 PolarHBondContact O-N 3.15Å; A903-A906 PolarHBondContact O-N 2.67Å; A903-R907 WeakPolarHBondContact O-CG 3.33Å; A903-R907 PolarHBondContact O-N 2.81Å
904	G	52.8	Low	54.5	Low	42 Å²	42	105 Å²	105	43%	0.433	60%	0.601	S	S	.	*	H	α-helix	trans	-64.8	-45.9	171.6	0	0	0	0	0	112.3	A900 E901 E902 A906 R907 S908	A900-G904 PolarHBondContact O-N 2.81Å; E901-G904 PolarHBondContact O-N 3.35Å; E902-G904 VanDerWaalsContact C-N 3.32Å; E902-G904 PolarHBondContact O-N 3.5Å; G904-A906 VanDerWaalsContact C-N 3.34Å; G904-A906 PolarHBondContact O-N 3.01Å; G904-R907 PolarHBondContact O-N 3.18Å; G904-S908 PolarHBondContact O-N 3.31Å; G904-S908 VanDerWaalsContact O-N 3.15Å
905	L	47.3	Very low	52.1	Low	101 Å²	101	105.8 Å²	105.8	53%	0.529	62%	0.621	S	S	.	*	H	α-helix	trans	-63.2	-38.1	174.5	-70.3	167.3	0	0	0	111.9	E901 E902 S908 R909	E901-L905 HydrophobicContact CG-CD1 4.07Å; E901-L905 WeakPolarHBondContact O-CB 3.35Å; E901-L905 VanDerWaalsContact O-CG 3.3Å; E901-L905 WeakPolarHBondContact O-CG 3.44Å; E901-L905 PolarHBondContact O-N 3.21Å; E902-L905 PolarHBondContact O-N 3.48Å; L905-S908 WeakPolarHBondContact O-CB 3.25Å; L905-S908 PolarHBondContact O-N 3.1Å; L905-R909 PolarHBondContact O-N 2.78Å
906	A	38.6	Very low	49.9	Very low	56 Å²	56	108.4 Å²	108.4	46%	0.463	65%	0.647	S	S	.	*	H	α-helix	trans	-62.8	-42.8	174.4	0	0	0	0	0	112	E902 A903 G904 S908 R909	E902-A906 WeakPolarHBondContact O-CB 3.49Å; E902-A906 PolarHBondContact O-N 2.77Å; A903-A906 PolarHBondContact O-N 2.67Å; G904-A906 VanDerWaalsContact C-N 3.34Å; G904-A906 PolarHBondContact O-N 3.01Å; A906-S908 VanDerWaalsContact C-N 3.26Å; A906-S908 PolarHBondContact O-N 3.19Å; A906-R909 WeakPolarHBondContact O-CB 3.44Å; A906-R909 PolarHBondContact O-N 3.47Å
907	R	42.2	Very low	47.7	Very low	224 Å²	224	112.7 Å²	112.7	85%	0.845	67%	0.665	S	S	*	*	H	α-helix	trans	-62.8	-31.7	174.1	-73.6	-179.9	178.7	-169.9	1.4	112.6	A903 G904 R909 G910	A903-R907 WeakPolarHBondContact O-CG 3.33Å; A903-R907 PolarHBondContact O-N 2.81Å; G904-R907 PolarHBondContact O-N 3.18Å; R907-R909 PolarHBondContact O-N 2.75Å; R907-G910 PolarHBondContact O-N 2.9Å
908	S	39.5	Very low	45.4	Very low	103 Å²	103	112.2 Å²	112.2	72%	0.72	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-13	172.8	-168.6	0	0	0	0	114.4	G904 L905 A906	G904-S908 PolarHBondContact O-N 3.31Å; G904-S908 VanDerWaalsContact O-N 3.15Å; L905-S908 WeakPolarHBondContact O-CB 3.25Å; L905-S908 PolarHBondContact O-N 3.1Å; A906-S908 VanDerWaalsContact C-N 3.26Å; A906-S908 PolarHBondContact O-N 3.19Å
909	R	40.3	Very low	43.6	Very low	208 Å²	208	114.3 Å²	114.3	79%	0.785	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	1.1	174.3	-68.1	177.1	173.2	171.4	-0.6	113.3	L905 A906 R907 K911	L905-R909 PolarHBondContact O-N 2.78Å; A906-R909 WeakPolarHBondContact O-CB 3.44Å; A906-R909 PolarHBondContact O-N 3.47Å; R907-R909 PolarHBondContact O-N 2.75Å; R909-K911 PolarHBondContact O-N 3.29Å
910	G	38.8	Very low	41.5	Very low	72 Å²	72	116.6 Å²	116.6	74%	0.742	72%	0.715	S	S	*	*	S	Bend	trans	-73.1	12.2	-175.9	0	0	0	0	0	116.6	R907	R907-G910 PolarHBondContact O-N 2.9Å
911	K	39	Very low	39.6	Very low	176 Å²	176	121.2 Å²	121.2	77%	0.765	73%	0.731	S	S	*	*	S	Bend	trans	-148.9	143.7	175.1	-153.7	166.5	-176.3	176	0	110.3	R909	R909-K911 PolarHBondContact O-N 3.29Å
912	D	32.1	Very low	38	Very low	153 Å²	153	121.7 Å²	121.7	82%	0.818	74%	0.737	S	S	*	*	S	Bend	trans	61.6	81	178.9	-51	-24.7	0	0	0	115.1
913	G	32.9	Very low	36.9	Very low	84 Å²	84	120.5 Å²	120.5	87%	0.866	74%	0.743	S	S	*	*			trans	-98	116.2	179.1	0	0	0	0	0	114.4
914	S	28.9	Very low	35.6	Very low	124 Å²	124	123 Å²	123	87%	0.867	76%	0.764	S	S	*	*			trans	-169.3	126.2	137.9	-169.3	0	0	0	0	112.4
915	G	30.1	Very low	35.1	Very low	79 Å²	79	130.1 Å²	130.1	81%	0.814	78%	0.778	S	S	*	*			trans	73.5	85.1	149.5	0	0	0	0	0	119.6
916	S	28.7	Very low	34.3	Very low	125 Å²	125	135.2 Å²	135.2	87%	0.874	80%	0.796	S	S	*	*			trans	-150	154.9	138.5	-164.6	0	0	0	0	111.6
917	K	31.9	Very low	34.1	Very low	206 Å²	206	135.8 Å²	135.8	90%	0.896	81%	0.807	S	S	*	*			trans	-99.7	157.6	176.6	-64.7	-179.2	179.6	-178.5	0	110.3
918	G	28.6	Very low	33.6	Very low	69 Å²	69	137.3 Å²	137.3	71%	0.711	81%	0.813	S	S	*	*			trans	100.3	109.8	166.2	0	0	0	0	0	113.5
919	A	37.2	Very low	33.4	Very low	102 Å²	102	141.9 Å²	141.9	84%	0.843	82%	0.819	S	S	*	*			trans	-76.2	131.3	153.1	0	0	0	0	0	108
920	T	32.1	Very low	33.5	Very low	140 Å²	140	142.3 Å²	142.3	86%	0.859	83%	0.827	S	S	*	*			trans	-141.3	117.7	167.2	-56.7	0	0	0	0	106.8
921	L	32	Very low	33.2	Very low	155 Å²	155	148.4 Å²	148.4	81%	0.812	83%	0.833	S	S	*	*			trans	-84.6	144.5	-177.6	-88.5	167.4	0	0	0	111.3
922	L	31.7	Very low	32.7	Very low	141 Å²	141	149.4 Å²	149.4	74%	0.738	84%	0.837	S	S	*	*			trans	76	145.6	151.1	-65.4	166.8	0	0	0	121.8
923	C	35.2	Very low	32.7	Very low	120 Å²	120	151.9 Å²	151.9	81%	0.811	84%	0.841	S	S	*	*			trans	63.7	79.7	150.1	-64.4	0	0	0	0	121.1
924	A	27.9	Very low	32.4	Very low	103 Å²	103	152.5 Å²	152.5	85%	0.851	84%	0.837	S	S	*	*			trans	-142.2	74.5	155	0	0	0	0	0	113.3	K926	A924-K926 PolarHBondContact O-N 3.24Å; A924-K926 VanDerWaalsContact O-N 3.13Å
925	R	41.3	Very low	32.3	Very low	191 Å²	191	151.9 Å²	151.9	72%	0.721	83%	0.833	S	S	*	*			trans	-73	96.1	179.8	-159.3	178.2	-177.3	-145.1	1.1	110.8	E950	R925-E950 IonicContact CZ-OE1 3.31Å; R925-E950 VanDerWaalsContact CZ-OE1 3.25Å; R925-E950 IonicContact NH1-OE1 3.1Å; R925-E950 PolarHBondContact NH1-OE1 3.24Å; R925-E950 IonicContact NH2-OE1 3.76Å; R925-E950 PolarHBondContact NH2-OE1 2.99Å
926	K	30.9	Very low	32.6	Very low	209 Å²	209	152.8 Å²	152.8	91%	0.909	83%	0.827	S	S	*	*			trans	-154.7	124	168	-134.5	163.1	-168.9	165.6	0	116.7	A924	A924-K926 PolarHBondContact O-N 3.24Å; A924-K926 VanDerWaalsContact O-N 3.13Å
927	G	34.5	Very low	32.7	Very low	67 Å²	67	156.1 Å²	156.1	69%	0.691	83%	0.829	S	S	*	*			trans	87.2	44.2	141.1	0	0	0	0	0	119.9	K929	G927-K929 PolarHBondContact O-N 3.48Å; G927-K929 VanDerWaalsContact O-N 3.1Å
928	R	31.1	Very low	32.9	Very low	257 Å²	257	149.2 Å²	149.2	97%	0.97	81%	0.811	S	S	*	*			trans	-65.7	110.1	159.8	-84.8	-170.8	172.5	-179	0.1	109.8
929	K	35.7	Very low	33.2	Very low	198 Å²	198	149.8 Å²	149.8	86%	0.861	82%	0.816	S	S	*	*			trans	-57.9	148.5	174.6	-64.1	179	-179.7	177.5	0	110.4	G927 K931	G927-K929 PolarHBondContact O-N 3.48Å; G927-K929 VanDerWaalsContact O-N 3.1Å; K929-K931 PolarHBondContact O-N 2.99Å
930	K	42.8	Very low	33.1	Very low	217 Å²	217	148 Å²	148	94%	0.943	79%	0.788	S	S	*	*			trans	-43.2	103.6	-178.8	-72.5	179.4	175	176.4	0	112.3
931	K	31.7	Very low	33.4	Very low	200 Å²	200	143.7 Å²	143.7	87%	0.87	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-77.4	136.2	163.8	-164.1	172.3	-179.5	-177.3	0	108	K929	K929-K931 PolarHBondContact O-N 2.99Å
932	K	29	Very low	33.6	Very low	198 Å²	198	143.1 Å²	143.1	86%	0.861	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-54.4	138.8	-178.8	-163.8	175	-176.8	-178.7	0	109.9	A934	K932-A934 PolarHBondContact O-N 3.13Å
933	K	31.6	Very low	34.2	Very low	205 Å²	205	141.3 Å²	141.3	89%	0.891	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-48.9	125.3	178.8	-75.8	-168.5	174.1	-171.1	0	110
934	A	26.7	Very low	34.5	Very low	96 Å²	96	138 Å²	138	79%	0.793	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-71.3	152.3	159.6	0	0	0	0	0	108.9	K932	K932-A934 PolarHBondContact O-N 3.13Å
935	S	28.3	Very low	35.4	Very low	111 Å²	111	134.7 Å²	134.7	78%	0.776	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-79	162	175.8	-163.3	0	0	0	0	111
936	S	35.5	Very low	35.4	Very low	99 Å²	99	127.2 Å²	127.2	69%	0.692	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-67.1	130.4	172.2	51.5	0	0	0	0	112
937	E	30	Very low	35.8	Very low	194 Å²	194	119.9 Å²	119.9	91%	0.907	65%	0.648	S	S	*	*			trans	-141.5	47.8	174.4	-163.1	167	-168.5	0	0	110.4
938	A	36.7	Very low	35.7	Very low	62 Å²	62	121.2 Å²	121.2	51%	0.512	65%	0.645	S	S	.	*	S	Bend	trans	-152.3	17.5	-177.5	0	0	0	0	0	114.6	Y940	A938-Y940 WeakPolarHBondContact O-CD2 3.34Å; A938-Y940 PolarHBondContact O-N 2.94Å
939	G	35.5	Very low	36	Very low	81 Å²	81	116.6 Å²	116.6	84%	0.835	64%	0.639	S	S	*	*	S	Bend	trans	66.6	-21.8	172.1	0	0	0	0	0	119
940	Y	35.4	Very low	36	Very low	65 Å²	65	112.8 Å²	112.8	26%	0.255	62%	0.624	S	S	.	*			trans	-85.3	146.8	-175.5	-75.6	-74.3	0	0	0	113.9	A938 G979 P981 R985	A938-Y940 WeakPolarHBondContact O-CD2 3.34Å; A938-Y940 PolarHBondContact O-N 2.94Å; Y940-G979 PolarHBondContact OH-O 3.41Å; Y940-G979 VanDerWaalsContact OH-O 3.05Å; Y940-P981 HydrophobicContact CE1-CB 4.46Å; Y940-P981 HydrophobicContact CE2-CG 4.22Å; Y940-P981 WeakPolarHBondContact OH-CD 3.48Å; Y940-R985 PolarHBondContact OH-NH2 3.02Å
941	P	38.7	Very low	35.8	Very low	48 Å²	48	107.8 Å²	107.8	31%	0.312	61%	0.612	S	S	.	*			trans	-56.7	151.4	158.2	-20.2	32.4	0	0	0	111.2	Y943	P941-Y943 HydrophobicContact CB-CE2 4.06Å; P941-Y943 HydrophobicContact CG-CE2 4.12Å; P941-Y943 WeakPolarHBondContact O-CD2 3.37Å; P941-Y943 PolarHBondContact O-N 3.33Å
942	L	36.1	Very low	36.3	Very low	143 Å²	143	103.1 Å²	103.1	75%	0.749	60%	0.597	S	S	*	*			trans	-71.2	96.4	170.9	-85.6	83.3	0	0	0	109.6	G1041	L942-G1041 WeakPolarHBondContact O-CA 3.36Å
943	Y	43.7	Very low	37.3	Very low	104 Å²	104	99 Å²	99	41%	0.408	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.3	124	160.6	-64	-74.1	0	0	0	109.1	P941 E1039 H1040	P941-Y943 HydrophobicContact CB-CE2 4.06Å; P941-Y943 HydrophobicContact CG-CE2 4.12Å; P941-Y943 WeakPolarHBondContact O-CD2 3.37Å; P941-Y943 PolarHBondContact O-N 3.33Å; Y943-E1039 HydrophobicContact CD1-CG 3.7Å; Y943-E1039 HydrophobicContact CE1-CG 4.36Å; Y943-E1039 HydrophobicContact CG-CG 4.15Å; Y943-H1040 CarbonylContact C-O 3.49Å; Y943-H1040 VanDerWaalsContact CA-O 3.27Å; Y943-H1040 WeakPolarHBondContact CA-O 3.4Å
944	A	42.4	Very low	38.7	Very low	49 Å²	49	96.7 Å²	96.7	41%	0.405	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.3	130.3	172.2	0	0	0	0	0	108.6	H1040	A944-H1040 PolarHBondContact N-O 2.89Å; A944-H1040 PolarHBondContact O-CD2 2.89Å; A944-H1040 VanDerWaalsContact O-CD2 3.26Å; A944-H1040 PolarHBondContact O-CE1 3.14Å; A944-H1040 PolarHBondContact O-NE2 3.23Å
945	T	46.3	Very low	40.9	Very low	34 Å²	34	98.2 Å²	98.2	21%	0.209	57%	0.573	C	S	.	*			trans	-93.2	143.5	161.7	50.6	0	0	0	0	108.5	A947 Q1072	T945-A947 PolarHBondContact O-N 3.3Å; T945-A947 VanDerWaalsContact O-N 3.08Å; T945-A947 VanDerWaalsContact O-O 3.14Å; T945-Q1072 HydrophobicContact CG2-CB 4.12Å; T945-Q1072 HydrophobicContact CG2-CG 3.77Å; T945-Q1072 WeakPolarHBondContact OG1-CG 3.43Å
946	T	41.8	Very low	43.4	Very low	34 Å²	34	94.7 Å²	94.7	21%	0.209	55%	0.545	C	S	.	.	S	Bend	trans	-77.8	11.4	-174.7	57.3	0	0	0	0	115.2	I1032 R1035 H1040	T946-I1032 HydrophobicContact CG2-CG2 3.7Å; T946-R1035 PolarHBondContact O-NH2 3.5Å; T946-H1040 WeakPolarHBondContact CG2-NE2 3.49Å
947	A	37.4	Very low	45.8	Very low	56 Å²	56	92.2 Å²	92.2	46%	0.463	52%	0.524	S	S	.	.	S	Bend	trans	-73.1	130	159.6	0	0	0	0	0	108.9	T945	T945-A947 PolarHBondContact O-N 3.3Å; T945-A947 VanDerWaalsContact O-N 3.08Å; T945-A947 VanDerWaalsContact O-O 3.14Å
948	P	34.2	Very low	48.7	Very low	95 Å²	95	83.6 Å²	83.6	62%	0.617	49%	0.485	S	S	*	.			trans	-57.3	150	168.1	-21.3	33.1	0	0	0	110.9	E950	P948-E950 HydrophobicContact CB-CG 4.4Å; P948-E950 PolarHBondContact O-N 2.99Å
949	D	35.8	Very low	51.4	Low	159 Å²	159	81.3 Å²	81.3	85%	0.85	46%	0.463	S	S	*	.			trans	-73.2	53.8	162	-174.6	32.4	0	0	0	110
950	E	36.3	Very low	54.1	Low	118 Å²	118	78.9 Å²	78.9	55%	0.551	43%	0.43	S	S	*	.			trans	-74.8	126.3	146.4	-72.7	-116.1	69.1	0	0	105.6	R925 P948 D952	R925-E950 IonicContact CZ-OE1 3.31Å; R925-E950 VanDerWaalsContact CZ-OE1 3.25Å; R925-E950 IonicContact NH1-OE1 3.1Å; R925-E950 PolarHBondContact NH1-OE1 3.24Å; R925-E950 IonicContact NH2-OE1 3.76Å; R925-E950 PolarHBondContact NH2-OE1 2.99Å; P948-E950 HydrophobicContact CB-CG 4.4Å; P948-E950 PolarHBondContact O-N 2.99Å; E950-D952 PolarHBondContact O-N 3.47Å
951	T	39.1	Very low	56.9	Low	113 Å²	113	80.6 Å²	80.6	69%	0.693	44%	0.44	S	S	*	.			trans	-62.6	99.4	171.1	-42.7	0	0	0	0	107.8
952	D	41	Very low	59.6	Low	101 Å²	101	78.5 Å²	78.5	54%	0.54	43%	0.427	S	S	.	.			trans	-45.5	127.5	164.1	-98	-12.1	0	0	0	106.7	E950 E954 K1075	E950-D952 PolarHBondContact O-N 3.47Å; D952-E954 PolarHBondContact O-N 3.12Å; D952-K1075 IonicContact OD2-NZ 3.79Å; D952-K1075 PolarHBondContact OD2-NZ 3Å
953	P	51.3	Low	62.3	Low	113 Å²	113	72.8 Å²	72.8	73%	0.734	40%	0.4	S	S	*	.			trans	-57.5	130	166.6	26.8	-32.4	0	0	0	107.1	E955	P953-E955 PolarHBondContact O-N 2.78Å
954	E	61	Low	64.6	Low	156 Å²	156	70.7 Å²	70.7	73%	0.729	40%	0.396	S	S	*	.			trans	-58.9	111.2	-168.4	-167	156	-163.7	0	0	109.8	D952 I956	D952-E954 PolarHBondContact O-N 3.12Å; E954-I956 PolarHBondContact O-N 3.37Å; E954-I956 VanDerWaalsContact O-N 3.12Å
955	E	72.2	Confident	67	Low	127 Å²	127	69.4 Å²	69.4	59%	0.593	38%	0.38	S	S	*	.			trans	-66.1	113.2	-162.1	-172.4	172.8	172.1	0	0	109.6	P953 L957 K1075	P953-E955 PolarHBondContact O-N 2.78Å; E955-L957 PolarHBondContact O-N 3.07Å; E955-K1075 IonicContact OE2-NZ 3.25Å; E955-K1075 PolarHBondContact OE2-NZ 2.87Å
956	I	81.4	Confident	69	Low	37 Å²	37	75.1 Å²	75.1	19%	0.19	40%	0.399	C	S	.	.			trans	-67	104.9	-168	-63.7	169.7	0	0	0	109.9	E893 T894 L897 E954 T958	E893-I956 HydrophobicContact CB-CG2 3.56Å; E893-I956 HydrophobicContact CG-CG2 4.14Å; T894-I956 VanDerWaalsContact OG1-CD1 3.26Å; T894-I956 WeakPolarHBondContact OG1-CD1 3.44Å; L897-I956 HydrophobicContact CD1-CG1 4.4Å; E954-I956 PolarHBondContact O-N 3.37Å; E954-I956 VanDerWaalsContact O-N 3.12Å; I956-T958 HydrophobicContact CG2-CG2 4.24Å; I956-T958 PolarHBondContact O-N 3.44Å
957	L	86.4	Confident	71.2	Confident	47 Å²	47	75.4 Å²	75.4	25%	0.246	40%	0.401	C	S	.	.			trans	-66	105.6	-175.4	-62.1	-175.3	0	0	0	110.4	H830 F831 E955 H1129	H830-L957 HydrophobicContact CB-CB 3.9Å; H830-L957 HydrophobicContact CB-CD2 4.29Å; F831-L957 WeakPolarHBondContact CD1-O 3.45Å; E955-L957 PolarHBondContact O-N 3.07Å; L957-H1129 HydrophobicContact CD1-CB 4.42Å; L957-H1129 HydrophobicContact CD2-CB 4.21Å
958	T	89.4	Confident	73.4	Confident	13 Å²	13	79 Å²	79	8%	0.08	40%	0.403	C	S	.	.			trans	-119.1	-100.1	178.1	52	0	0	0	0	109.5	H830 F831 Q886 Q889 H890 I956	H830-T958 PolarHBondContact N-O 3.29Å; F831-T958 VanDerWaalsContact CD1-O 3.23Å; F831-T958 WeakPolarHBondContact CD1-O 3.41Å; F831-T958 WeakPolarHBondContact CE1-O 3.38Å; Q886-T958 HydrophobicContact CG-CG2 4.33Å; Q886-T958 PolarHBondContact NE2-OG1 2.89Å; Q889-T958 HydrophobicContact CB-CG2 4.11Å; Q889-T958 HydrophobicContact CG-CG2 3.93Å; H890-T958 HydrophobicContact CB-CG2 4.28Å; I956-T958 HydrophobicContact CG2-CG2 4.24Å; I956-T958 PolarHBondContact O-N 3.44Å
959	Y	93.5	Very high	75.7	Confident	14 Å²	14	78.4 Å²	78.4	6%	0.055	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.6	-174.8	-61.7	-70.6	0	0	0	110.5	V827 R828 A829 F831 F850 L856 W867 P884 Q886	V827-Y959 HydrophobicContact CB-CD1 4.45Å; V827-Y959 HydrophobicContact CG2-CD1 3.79Å; V827-Y959 HydrophobicContact CG2-CE1 4.43Å; V827-Y959 HydrophobicContact CG2-CG 4.17Å; R828-Y959 WeakPolarHBondContact O-CA 3.5Å; A829-Y959 HydrophobicContact CB-CD1 4.49Å; A829-Y959 HydrophobicContact CB-CE1 4.43Å; F831-Y959 HydrophobicContact CE1-CD1 4.29Å; F831-Y959 AromaticContact CE1-CE1 3.83Å; F831-Y959 HydrophobicContact CE1-CE1 3.83Å; F831-Y959 HydrophobicContact CE1-CE2 4.12Å; F831-Y959 AromaticContact CE1-CZ 3.76Å; F831-Y959 HydrophobicContact CZ-CE1 4.11Å; F831-Y959 HydrophobicContact CZ-CE2 4.26Å; F831-Y959 AromaticContact CZ-CZ 3.73Å; F850-Y959 HydrophobicContact CE2-CE1 4.23Å; F850-Y959 AromaticContact CZ-CE1 3.97Å; F850-Y959 HydrophobicContact CZ-CE1 3.97Å; F850-Y959 WeakPolarHBondContact CZ-OH 3.38Å; L856-Y959 HydrophobicContact CD1-CE1 3.87Å; W867-Y959 HydrophobicContact CZ3-CD2 4.34Å; P884-Y959 VanDerWaalsContact O-CE2 3.3Å; P884-Y959 WeakPolarHBondContact O-CE2 3.46Å; P884-Y959 PolarHBondContact O-OH 3.18Å; Q886-Y959 HydrophobicContact CB-CD2 4.04Å; Q886-Y959 HydrophobicContact CG-CD2 4.45Å; Q886-Y959 PolarHBondContact NE2-O 3.04Å
960	E	93	Very high	77.8	Confident	30 Å²	30	75.2 Å²	75.2	14%	0.14	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	124	169.9	176.2	170.8	-125.5	0	0	108.9	V827 R828 H830 V962 R1078 P1162	V827-E960 CarbonylContact C-O 3.55Å; V827-E960 WeakPolarHBondContact CA-O 3.36Å; R828-E960 PolarHBondContact N-O 3.29Å; R828-E960 PolarHBondContact O-N 2.71Å; H830-E960 IonicContact CE1-OE2 2.69Å; H830-E960 IonicContact NE2-OE2 3.49Å; E960-V962 PolarHBondContact O-N 3.37Å; E960-R1078 IonicContact OE1-CZ 2.7Å; E960-R1078 IonicContact OE1-NH2 3.94Å; E960-R1078 PolarHBondContact OE1-NH2 2.77Å; E960-R1078 IonicContact OE2-NH2 3.77Å; E960-R1078 PolarHBondContact OE2-NH2 3.03Å; E960-P1162 HydrophobicContact CG-CB 4.27Å; E960-P1162 HydrophobicContact CG-CG 4.45Å; E960-P1162 VanDerWaalsContact OE1-CG 3.26Å; E960-P1162 WeakPolarHBondContact OE1-CG 3.43Å
961	E	94.2	Very high	80.2	Confident	101 Å²	101	74 Å²	74	47%	0.472	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	130	173.8	-168.9	-168.7	141.5	0	0	109.8	L825 P1162 A1163	L825-E961 HydrophobicContact CD1-CG 3.83Å; E961-P1162 CarbonylContact O-C 3.54Å; E961-P1162 WeakPolarHBondContact O-CA 3.39Å; E961-A1163 HydrophobicContact CB-CB 4.19Å; E961-A1163 HydrophobicContact CG-CB 3.75Å; E961-A1163 PolarHBondContact O-N 2.9Å; E961-A1163 WeakPolarHBondContact OE1-CB 3.47Å
962	V	94.4	Very high	82.7	Confident	5 Å²	5	70.7 Å²	70.7	3%	0.03	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	156.3	-176.9	-68.1	0	0	0	0	112.9	H826 R828 V855 E960 W1160 V1161	H826-V962 HydrophobicContact CB-CG2 4.22Å; H826-V962 PolarHBondContact O-N 2.8Å; R828-V962 HydrophobicContact CB-CG1 3.75Å; V855-V962 HydrophobicContact CG1-CG2 4.09Å; V855-V962 HydrophobicContact CG2-CG2 4.49Å; E960-V962 PolarHBondContact O-N 3.37Å; V962-W1160 HydrophobicContact CB-CE3 4.08Å; V962-W1160 HydrophobicContact CG2-CD2 4.33Å; V962-W1160 HydrophobicContact CG2-CE3 3.69Å; V962-W1160 HydrophobicContact CG2-CZ3 4.32Å; V962-V1161 CarbonylContact C-O 3.59Å; V962-V1161 WeakPolarHBondContact CA-O 3.32Å; V962-V1161 WeakPolarHBondContact CB-O 3.38Å
963	A	93.4	Very high	85.2	Confident	22 Å²	22	66.9 Å²	66.9	18%	0.182	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.1	172.7	0	0	0	0	0	110.3	Y965 V1161 A1163 V1166	A963-Y965 PolarHBondContact O-N 3.05Å; A963-V1161 PolarHBondContact N-O 3.12Å; A963-V1161 PolarHBondContact O-N 3.05Å; A963-A1163 HydrophobicContact CB-CB 4.22Å; A963-V1166 HydrophobicContact CB-CB 4.26Å; A963-V1166 HydrophobicContact CB-CG2 3.93Å
964	L	92.4	Very high	87.3	Confident	61 Å²	61	61.5 Å²	61.5	32%	0.319	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	115.9	175.1	-72.2	177.4	0	0	0	111.3	Y966 P1158 W1160	L964-Y966 HydrophobicContact CB-CE2 4.08Å; L964-P1158 HydrophobicContact CB-CB 4.4Å; L964-P1158 HydrophobicContact CD2-CB 4.09Å; L964-W1160 HydrophobicContact CD1-CH2 4.22Å; L964-W1160 HydrophobicContact CD1-CZ2 4.23Å; L964-W1160 HydrophobicContact CD2-CD2 3.59Å; L964-W1160 VanDerWaalsContact CD2-CE2 3.47Å; L964-W1160 HydrophobicContact CD2-CE3 3.96Å; L964-W1160 HydrophobicContact CD2-CG 4.06Å; L964-W1160 HydrophobicContact CD2-CH2 4.05Å; L964-W1160 HydrophobicContact CD2-CZ2 3.72Å; L964-W1160 HydrophobicContact CD2-CZ3 4.19Å; L964-W1160 HydrophobicContact CG-CD2 4.19Å; L964-W1160 HydrophobicContact CG-CE3 4.07Å; L964-W1160 HydrophobicContact CG-CH2 3.67Å; L964-W1160 HydrophobicContact CG-CZ2 3.82Å; L964-W1160 HydrophobicContact CG-CZ3 3.83Å
965	Y	91.8	Very high	89	Confident	22 Å²	22	54.2 Å²	54.2	9%	0.086	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	117.9	167.1	178.3	-95.7	0	0	0	110.2	A963 R973 K1083 Q1159 V1161	A963-Y965 PolarHBondContact O-N 3.05Å; Y965-R973 HydrophobicContact CE1-CG 4.22Å; Y965-K1083 HydrophobicContact CD2-CD 4.11Å; Y965-K1083 HydrophobicContact CE2-CD 3.69Å; Y965-Q1159 PolarHBondContact N-O 3.3Å; Y965-Q1159 PolarHBondContact O-N 3.44Å; Y965-V1161 HydrophobicContact CG-CG2 4.46Å
966	Y	90	Very high	90.2	Very high	153 Å²	153	48.1 Å²	48.1	60%	0.6	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-81.5	126.7	175.9	-70.1	-97.9	0	0	0	110.1	L964 R968 P1158	L964-Y966 HydrophobicContact CB-CE2 4.08Å; Y966-R968 PolarHBondContact O-N 2.88Å; Y966-P1158 HydrophobicContact CD1-CB 4.27Å; Y966-P1158 HydrophobicContact CD1-CG 3.72Å; Y966-P1158 HydrophobicContact CE1-CB 4.18Å; Y966-P1158 HydrophobicContact CE1-CG 3.56Å
967	P	86.3	Confident	90.9	Very high	40 Å²	40	46.4 Å²	46.4	26%	0.26	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-55.9	131.4	179.6	-27.8	35.8	0	0	0	112.8	L1154 E1157	P967-L1154 WeakPolarHBondContact CB-O 3.18Å; P967-L1154 VanDerWaalsContact CG-O 3.25Å; P967-L1154 WeakPolarHBondContact CG-O 3.43Å; P967-E1157 WeakPolarHBondContact CG-O 3.4Å
968	R	84.8	Confident	91.3	Very high	131 Å²	131	44.1 Å²	44.1	49%	0.494	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-102.4	127	179	-69.1	-176.2	176.2	-167.3	-0.9	110.2	Y966 T970 H971	Y966-R968 PolarHBondContact O-N 2.88Å; R968-T970 PolarHBondContact O-N 3.2Å; R968-H971 HydrophobicContact CB-CB 3.99Å; R968-H971 CarbonylContact O-C 3.58Å; R968-H971 PolarHBondContact O-N 2.97Å; R968-H971 VanDerWaalsContact O-N 3.15Å
969	A	81.2	Confident	91.5	Very high	83 Å²	83	43.5 Å²	43.5	69%	0.686	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.3	179.8	0	0	0	0	0	113.5	K972	A969-K972 VanDerWaalsContact O-CE 3.24Å; A969-K972 WeakPolarHBondContact O-CE 3.45Å
970	T	81.3	Confident	91.5	Very high	93 Å²	93	42.9 Å²	42.9	57%	0.571	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-10.6	-179.3	57.8	0	0	0	0	114.8	R968	R968-T970 PolarHBondContact O-N 3.2Å
971	H	86.2	Confident	91.2	Very high	92 Å²	92	43 Å²	43	43%	0.426	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-134.1	87.5	-173	-77.7	71.8	0	0	0	110.2	R968	R968-H971 HydrophobicContact CB-CB 3.99Å; R968-H971 CarbonylContact O-C 3.58Å; R968-H971 PolarHBondContact O-N 2.97Å; R968-H971 VanDerWaalsContact O-N 3.15Å
972	K	91.4	Very high	90.6	Very high	44 Å²	44	44.2 Å²	44.2	19%	0.191	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-79.9	136.2	178.8	-51.6	-59.8	-179.4	169.8	0	110.7	A969 G1062 I1064 E1155	A969-K972 VanDerWaalsContact O-CE 3.24Å; A969-K972 WeakPolarHBondContact O-CE 3.45Å; K972-G1062 VanDerWaalsContact CG-O 3.22Å; K972-G1062 WeakPolarHBondContact CG-O 3.37Å; K972-I1064 HydrophobicContact CB-CG1 3.98Å; K972-I1064 HydrophobicContact CG-CG1 4.06Å; K972-E1155 WeakPolarHBondContact CD-OE1 3.47Å; K972-E1155 VanDerWaalsContact CE-OE1 3.24Å; K972-E1155 WeakPolarHBondContact CE-OE1 3.38Å; K972-E1155 IonicContact NZ-OE1 2.65Å; K972-E1155 PolarHBondContact NZ-OE1 2.87Å
973	R	94.2	Very high	90.4	Very high	20 Å²	20	44.3 Å²	44.3	8%	0.075	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-66.6	133	174.1	-68	177.6	67.2	-169.8	-2.5	109.8	Y965 K1083 P1084 D1132	Y965-R973 HydrophobicContact CE1-CG 4.22Å; R973-K1083 WeakPolarHBondContact CB-O 3.25Å; R973-K1083 VanDerWaalsContact CG-O 3.29Å; R973-K1083 WeakPolarHBondContact CG-O 3.49Å; R973-K1083 PolarHBondContact NE-O 3.26Å; R973-P1084 PolarHBondContact NH2-O 2.85Å; R973-D1132 IonicContact NH2-OD1 2.65Å; R973-D1132 PolarHBondContact NH2-OD1 2.88Å; R973-D1132 VanDerWaalsContact NH2-OD1 3.09Å
974	P	95.5	Very high	90.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-64	134	170.5	-23.1	34.8	0	0	0	111.7	I1055 V1059 C1065 L1067 L1082 Y1085	P974-I1055 HydrophobicContact CB-CG2 4.22Å; P974-I1055 HydrophobicContact CG-CG2 3.78Å; P974-V1059 HydrophobicContact CG-CG2 3.86Å; P974-C1065 CarbonylContact C-O 3.59Å; P974-C1065 VanDerWaalsContact CA-O 3.28Å; P974-C1065 WeakPolarHBondContact CA-O 3.37Å; P974-C1065 HydrophobicContact CB-CB 4.12Å; P974-C1065 HydrophobicContact CG-CB 4.43Å; P974-L1067 HydrophobicContact CB-CD1 4.3Å; P974-L1082 WeakPolarHBondContact CD-O 3.45Å; P974-L1082 HydrophobicContact CG-CB 4.38Å; P974-Y1085 PolarHBondContact O-N 2.89Å
975	I	96.8	Very high	90.1	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.015	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	120.1	175.2	-53.2	-56.8	0	0	0	108.8	L977 I1064 C1065 V1066 L1067 Y1085 V1087 L1147 I1151 L1154	I975-L977 HydrophobicContact CG2-CD2 3.95Å; I975-I1064 HydrophobicContact CD1-CG2 4.5Å; I975-I1064 HydrophobicContact CG1-CG2 3.59Å; I975-C1065 PolarHBondContact N-O 3.3Å; I975-V1066 WeakPolarHBondContact O-CA 3.38Å; I975-L1067 PolarHBondContact O-N 3.16Å; I975-Y1085 WeakPolarHBondContact CA-O 3.46Å; I975-Y1085 HydrophobicContact CD1-CD1 4.1Å; I975-Y1085 HydrophobicContact CD1-CG 4.4Å; I975-V1087 HydrophobicContact CG2-CG2 4.48Å; I975-L1147 HydrophobicContact CG2-CD1 4.48Å; I975-I1151 HydrophobicContact CD1-CD1 4.49Å; I975-I1151 HydrophobicContact CD1-CG1 3.96Å; I975-I1151 HydrophobicContact CG1-CD1 4.05Å; I975-I1151 HydrophobicContact CG1-CG1 4.07Å; I975-I1151 HydrophobicContact CG2-CD1 4.29Å; I975-L1154 HydrophobicContact CD1-CD1 3.89Å
976	V	96.5	Very high	90	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	109.3	-175.4	-171.9	0	0	0	0	109.7	I978 L1067 L1069 L1074 L1077 P1084 Y1085 V1086 V1087	V976-I978 HydrophobicContact CG1-CD1 4.22Å; V976-I978 HydrophobicContact CG1-CG1 4.16Å; V976-L1067 HydrophobicContact CG2-CD1 4.45Å; V976-L1069 HydrophobicContact CG1-CB 4Å; V976-L1069 HydrophobicContact CG1-CD1 3.88Å; V976-L1069 HydrophobicContact CG1-CG 4.12Å; V976-L1074 HydrophobicContact CG1-CD2 4.27Å; V976-L1077 HydrophobicContact CG2-CD2 3.7Å; V976-P1084 HydrophobicContact CG2-CB 3.88Å; V976-Y1085 PolarHBondContact N-O 3.24Å; V976-V1086 HydrophobicContact CB-CG2 4.39Å; V976-V1087 PolarHBondContact O-N 3.42Å
977	L	96.3	Very high	90.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	117.6	179.2	-53.4	-175.4	0	0	0	110.5	I975 R985 L988 R989 V1066 L1067 V1087 L1147	I975-L977 HydrophobicContact CG2-CD2 3.95Å; L977-R985 VanDerWaalsContact C-CD 3.44Å; L977-R985 HydrophobicContact CB-CG 4.34Å; L977-R985 WeakPolarHBondContact O-CD 3.37Å; L977-R985 PolarHBondContact O-NH1 3.22Å; L977-L988 HydrophobicContact CD1-CB 4.33Å; L977-R989 HydrophobicContact CD1-CB 4.19Å; L977-V1066 HydrophobicContact CD1-CG1 4.25Å; L977-V1066 HydrophobicContact CG-CG1 4.41Å; L977-L1067 PolarHBondContact N-O 3.34Å; L977-V1087 HydrophobicContact CD2-CB 4.03Å; L977-V1087 HydrophobicContact CD2-CG2 4.48Å; L977-L1147 HydrophobicContact CD2-CD1 4.34Å; L977-L1147 HydrophobicContact CD2-CD2 3.95Å
978	I	95.3	Very high	90.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	155.4	-178.7	-73.9	-178.5	0	0	0	110.2	V976 R985 P1071 L1074 V1086 V1087 L1088 V1089 M1123 F1131	V976-I978 HydrophobicContact CG1-CD1 4.22Å; V976-I978 HydrophobicContact CG1-CG1 4.16Å; I978-R985 VanDerWaalsContact C-CD 3.44Å; I978-P1071 HydrophobicContact CG2-CG 3.74Å; I978-L1074 HydrophobicContact CD1-CD1 3.58Å; I978-L1074 HydrophobicContact CD1-CD2 3.69Å; I978-L1074 HydrophobicContact CD1-CG 3.66Å; I978-V1086 HydrophobicContact CD1-CG1 3.78Å; I978-V1087 PolarHBondContact N-O 2.91Å; I978-L1088 HydrophobicContact CG2-CD1 4Å; I978-V1089 PolarHBondContact O-N 2.96Å; I978-M1123 HydrophobicContact CG2-CE 3.66Å; I978-F1131 HydrophobicContact CD1-CE1 4.35Å; I978-F1131 HydrophobicContact CG2-CE1 4.17Å; I978-F1131 HydrophobicContact CG2-CZ 4.17Å
979	G	93.8	Very high	91	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.194	C	C	.	.			trans	144.4	173.7	177	0	0	0	0	0	113	Y940 R985	Y940-G979 PolarHBondContact OH-O 3.41Å; Y940-G979 VanDerWaalsContact OH-O 3.05Å; G979-R985 VanDerWaalsContact O-CZ 3.26Å; G979-R985 PolarHBondContact O-NE 3.49Å; G979-R985 VanDerWaalsContact O-NE 3.16Å; G979-R985 PolarHBondContact O-NH2 3.21Å
980	P	92.2	Very high	91.6	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	19%	0.187	C	C	.	.			trans	-51.9	164.1	-179.7	-26.8	32.6	0	0	0	114.8	I983 I1116 T1119 A1120	P980-I983 HydrophobicContact CB-CB 4.5Å; P980-I983 HydrophobicContact CB-CG2 4.44Å; P980-I983 WeakPolarHBondContact O-CG2 3.29Å; P980-I1116 HydrophobicContact CB-CB 4.35Å; P980-I1116 HydrophobicContact CB-CG1 4.35Å; P980-I1116 HydrophobicContact CB-CG2 3.95Å; P980-I1116 HydrophobicContact CG-CG2 4.19Å; P980-I1116 WeakPolarHBondContact CG-O 3.45Å; P980-T1119 HydrophobicContact CB-CG2 4.24Å; P980-T1119 HydrophobicContact CG-CG2 4.22Å; P980-A1120 HydrophobicContact CG-CB 3.7Å
981	P	86.6	Confident	92.2	Very high	31 Å²	31	37.3 Å²	37.3	20%	0.201	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	157.4	168.1	31.6	-32.3	0	0	0	109.6	Y940 I983	Y940-P981 HydrophobicContact CE1-CB 4.46Å; Y940-P981 HydrophobicContact CE2-CG 4.22Å; Y940-P981 WeakPolarHBondContact OH-CD 3.48Å; P981-I983 PolarHBondContact O-N 3.36Å
982	N	83.5	Confident	92.6	Very high	128 Å²	128	32.9 Å²	32.9	68%	0.684	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	12.4	171.9	-52.6	-22.4	0	0	0	116.8	G984 I1116	N982-G984 VanDerWaalsContact C-N 3.33Å; N982-I1116 HydrophobicContact CB-CD1 4.42Å
983	I	88.3	Confident	92.7	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.031	16%	0.155	C	C	.	.	S	Bend	trans	-89.6	11.4	177.2	-158.2	45.8	0	0	0	114.4	P980 P981 R985 V1089 P1091 L1097 I1116 N1137	P980-I983 HydrophobicContact CB-CB 4.5Å; P980-I983 HydrophobicContact CB-CG2 4.44Å; P980-I983 WeakPolarHBondContact O-CG2 3.29Å; P981-I983 PolarHBondContact O-N 3.36Å; I983-R985 HydrophobicContact CG2-CG 4.5Å; I983-V1089 HydrophobicContact CG2-CB 4.46Å; I983-V1089 HydrophobicContact CG2-CG1 4.11Å; I983-P1091 HydrophobicContact CD1-CB 3.76Å; I983-P1091 HydrophobicContact CG1-CB 4.14Å; I983-L1097 HydrophobicContact CD1-CD1 3.95Å; I983-I1116 HydrophobicContact CD1-CG2 4.27Å; I983-N1137 PolarHBondContact O-ND2 2.94Å
984	G	87.8	Confident	92.7	Very high	4 Å²	4	36.1 Å²	36.1	4%	0.041	19%	0.185	C	C	.	.	S	Bend	trans	84.9	11.4	178.7	0	0	0	0	0	116.5	N982 H986 E987 L988	N982-G984 VanDerWaalsContact C-N 3.33Å; G984-H986 PolarHBondContact O-N 2.95Å; G984-E987 VanDerWaalsContact CA-CD 3.47Å; G984-E987 WeakPolarHBondContact CA-OE1 3.39Å; G984-E987 WeakPolarHBondContact O-CB 3.32Å; G984-E987 PolarHBondContact O-N 3.3Å; G984-E987 VanDerWaalsContact O-N 3.16Å; G984-L988 PolarHBondContact O-N 3.46Å
985	R	92.1	Very high	92.5	Very high	27 Å²	27	39 Å²	39	10%	0.102	20%	0.2	C	C	.	.	H	α-helix	trans	-50.7	-40.9	168.4	-92	-154.8	-71.6	157.4	-2	113.3	Y940 L977 I978 G979 I983 R989 L1069 V1089	Y940-R985 PolarHBondContact OH-NH2 3.02Å; L977-R985 VanDerWaalsContact C-CD 3.44Å; L977-R985 HydrophobicContact CB-CG 4.34Å; L977-R985 WeakPolarHBondContact O-CD 3.37Å; L977-R985 PolarHBondContact O-NH1 3.22Å; I978-R985 VanDerWaalsContact C-CD 3.44Å; G979-R985 VanDerWaalsContact O-CZ 3.26Å; G979-R985 PolarHBondContact O-NE 3.49Å; G979-R985 VanDerWaalsContact O-NE 3.16Å; G979-R985 PolarHBondContact O-NH2 3.21Å; I983-R985 HydrophobicContact CG2-CG 4.5Å; R985-R989 PolarHBondContact O-N 3.07Å; R985-L1069 PolarHBondContact NH1-O 3.22Å; R985-V1089 HydrophobicContact CG-CB 3.87Å; R985-V1089 HydrophobicContact CG-CG1 4.42Å; R985-V1089 HydrophobicContact CG-CG2 3.82Å
986	H	90.8	Very high	92.2	Very high	98 Å²	98	43 Å²	43	45%	0.454	23%	0.228	S	C	.	.	H	α-helix	trans	-71.4	-37.4	-178.7	-160.2	106.3	0	0	0	111.8	G984 R989 Q990	G984-H986 PolarHBondContact O-N 2.95Å; H986-R989 PolarHBondContact O-N 2.75Å; H986-Q990 VanDerWaalsContact CD2-CD 3.45Å; H986-Q990 PolarHBondContact CD2-NE2 3.22Å; H986-Q990 PolarHBondContact NE2-NE2 3.01Å; H986-Q990 VanDerWaalsContact NE2-NE2 3.14Å; H986-Q990 WeakPolarHBondContact O-CB 3.44Å; H986-Q990 WeakPolarHBondContact O-CG 3.26Å; H986-Q990 PolarHBondContact O-N 3.43Å
987	E	92.2	Very high	92	Very high	71 Å²	71	50.8 Å²	50.8	33%	0.332	27%	0.265	S	S	.	.	H	α-helix	trans	-59.2	-51.4	172.9	-58.3	154.4	-138.3	0	0	110.6	G984 R989 Q990 R991 T1140	G984-E987 VanDerWaalsContact CA-CD 3.47Å; G984-E987 WeakPolarHBondContact CA-OE1 3.39Å; G984-E987 WeakPolarHBondContact O-CB 3.32Å; G984-E987 PolarHBondContact O-N 3.3Å; G984-E987 VanDerWaalsContact O-N 3.16Å; E987-R989 VanDerWaalsContact C-N 3.34Å; E987-R989 PolarHBondContact O-N 3.08Å; E987-Q990 PolarHBondContact O-N 3.2Å; E987-R991 WeakPolarHBondContact O-CB 3.3Å; E987-R991 PolarHBondContact O-N 2.89Å; E987-T1140 HydrophobicContact CB-CG2 3.86Å; E987-T1140 WeakPolarHBondContact OE2-CB 3.4Å; E987-T1140 WeakPolarHBondContact OE2-CG2 3.31Å; E987-T1140 PolarHBondContact OE2-OG1 2.88Å
988	L	94.5	Very high	91.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.9	-42.8	179	-67.6	173.7	0	0	0	111.7	L977 G984 R991 L992 V1089 T1140 A1143 L1147	L977-L988 HydrophobicContact CD1-CB 4.33Å; G984-L988 PolarHBondContact O-N 3.46Å; L988-R991 PolarHBondContact O-N 3.03Å; L988-L992 WeakPolarHBondContact O-CG 3.49Å; L988-L992 PolarHBondContact O-N 2.89Å; L988-L992 VanDerWaalsContact O-N 3.09Å; L988-V1089 HydrophobicContact CD1-CG1 3.94Å; L988-V1089 HydrophobicContact CD1-CG2 4Å; L988-T1140 HydrophobicContact CD2-CG2 3.92Å; L988-T1140 HydrophobicContact CG-CG2 4.35Å; L988-A1143 HydrophobicContact CD1-CB 4.39Å; L988-A1143 HydrophobicContact CD2-CB 4.07Å; L988-L1147 HydrophobicContact CB-CD2 4.46Å
989	R	94.4	Very high	91.9	Very high	66 Å²	66	53.6 Å²	53.6	25%	0.249	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-52.1	174.3	-168.3	-171	70.8	129.3	4.5	111.7	L977 R985 H986 E987 R991 L992 M993 V1066	L977-R989 HydrophobicContact CD1-CB 4.19Å; R985-R989 PolarHBondContact O-N 3.07Å; H986-R989 PolarHBondContact O-N 2.75Å; E987-R989 VanDerWaalsContact C-N 3.34Å; E987-R989 PolarHBondContact O-N 3.08Å; R989-R991 PolarHBondContact O-N 3.48Å; R989-L992 PolarHBondContact O-N 2.96Å; R989-L992 VanDerWaalsContact O-N 3.14Å; R989-M993 HydrophobicContact CG-CG 4.48Å; R989-M993 WeakPolarHBondContact O-CG 3.47Å; R989-M993 PolarHBondContact O-N 2.95Å; R989-V1066 HydrophobicContact CG-CB 4.5Å; R989-V1066 HydrophobicContact CG-CG1 3.92Å
990	Q	93.8	Very high	91.9	Very high	116 Å²	116	55.5 Å²	55.5	54%	0.542	29%	0.289	S	S	.	.	H	α-helix	trans	-55.1	-39.9	178.9	-80.5	179.7	-10.5	0	0	111.8	H986 E987 M993 A994	H986-Q990 VanDerWaalsContact CD2-CD 3.45Å; H986-Q990 PolarHBondContact CD2-NE2 3.22Å; H986-Q990 PolarHBondContact NE2-NE2 3.01Å; H986-Q990 VanDerWaalsContact NE2-NE2 3.14Å; H986-Q990 WeakPolarHBondContact O-CB 3.44Å; H986-Q990 WeakPolarHBondContact O-CG 3.26Å; H986-Q990 PolarHBondContact O-N 3.43Å; E987-Q990 PolarHBondContact O-N 3.2Å; Q990-M993 WeakPolarHBondContact O-CB 3.21Å; Q990-M993 PolarHBondContact O-N 3.31Å; Q990-A994 PolarHBondContact O-N 2.87Å
991	R	94.2	Very high	92	Very high	76 Å²	76	56.9 Å²	56.9	29%	0.287	30%	0.3	S	S	.	.	H	α-helix	trans	-71.4	-31.4	-179.7	-163.9	175.2	173.6	134.5	-6.1	113.6	E987 L988 R989 A994 E1141 Y1144	E987-R991 WeakPolarHBondContact O-CB 3.3Å; E987-R991 PolarHBondContact O-N 2.89Å; L988-R991 PolarHBondContact O-N 3.03Å; R989-R991 PolarHBondContact O-N 3.48Å; R991-A994 WeakPolarHBondContact O-CB 3.33Å; R991-E1141 IonicContact CZ-OE1 3.55Å; R991-E1141 IonicContact CZ-OE2 3.39Å; R991-E1141 IonicContact NH1-OE1 2.65Å; R991-E1141 PolarHBondContact NH1-OE1 3.45Å; R991-E1141 IonicContact NH1-OE2 2.92Å; R991-E1141 PolarHBondContact NH1-OE2 3.44Å; R991-E1141 IonicContact NH2-OE1 2.77Å; R991-E1141 IonicContact NH2-OE2 3.17Å; R991-E1141 PolarHBondContact NH2-OE2 3.37Å; R991-Y1144 HydrophobicContact CB-CD2 3.92Å; R991-Y1144 HydrophobicContact CB-CE2 3.97Å; R991-Y1144 VanDerWaalsContact CD-CG 3.41Å; R991-Y1144 HydrophobicContact CG-CD1 4.36Å; R991-Y1144 HydrophobicContact CG-CD2 3.65Å; R991-Y1144 HydrophobicContact CG-CE1 4.29Å; R991-Y1144 HydrophobicContact CG-CE2 3.57Å; R991-Y1144 HydrophobicContact CG-CG 4.04Å
992	L	95.2	Very high	92.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-68.7	-39.7	167	-69.6	168.6	0	0	0	111.3	L988 R989 A994 D995 F999 V1066 Y1144 L1147 L1148 I1151	L988-L992 WeakPolarHBondContact O-CG 3.49Å; L988-L992 PolarHBondContact O-N 2.89Å; L988-L992 VanDerWaalsContact O-N 3.09Å; R989-L992 PolarHBondContact O-N 2.96Å; R989-L992 VanDerWaalsContact O-N 3.14Å; L992-A994 PolarHBondContact O-N 3.3Å; L992-A994 VanDerWaalsContact O-N 3.14Å; L992-D995 PolarHBondContact O-N 3.1Å; L992-D995 VanDerWaalsContact O-N 3.17Å; L992-F999 HydrophobicContact CB-CD1 4.37Å; L992-F999 HydrophobicContact CB-CG 4.32Å; L992-F999 HydrophobicContact CD2-CD1 4.43Å; L992-F999 HydrophobicContact CD2-CE1 3.88Å; L992-F999 HydrophobicContact CD2-CE2 4.09Å; L992-F999 HydrophobicContact CD2-CZ 3.69Å; L992-F999 WeakPolarHBondContact O-CD2 3.4Å; L992-V1066 HydrophobicContact CB-CG2 4.44Å; L992-V1066 HydrophobicContact CD1-CG1 3.99Å; L992-V1066 HydrophobicContact CD1-CG2 4.3Å; L992-Y1144 HydrophobicContact CD2-CD2 4.44Å; L992-Y1144 HydrophobicContact CD2-CE2 3.8Å; L992-Y1144 HydrophobicContact CG-CE2 4.11Å; L992-L1147 HydrophobicContact CD1-CD2 3.83Å; L992-L1147 HydrophobicContact CD1-CG 4.4Å; L992-L1148 HydrophobicContact CD2-CD1 4.35Å; L992-I1151 HydrophobicContact CD1-CD1 4.27Å; L992-I1151 HydrophobicContact CD2-CD1 4.16Å
993	M	93.2	Very high	92.9	Very high	48 Å²	48	51.2 Å²	51.2	24%	0.236	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-10.5	176.4	-59.8	-64.1	88.8	0	0	114.4	R989 Q990 D995 F999 A1001 V1066	R989-M993 HydrophobicContact CG-CG 4.48Å; R989-M993 WeakPolarHBondContact O-CG 3.47Å; R989-M993 PolarHBondContact O-N 2.95Å; Q990-M993 WeakPolarHBondContact O-CB 3.21Å; Q990-M993 PolarHBondContact O-N 3.31Å; M993-D995 VanDerWaalsContact C-N 3.28Å; M993-F999 HydrophobicContact CE-CB 3.56Å; M993-A1001 HydrophobicContact SD-CB 3.97Å; M993-V1066 HydrophobicContact CE-CB 3.68Å; M993-V1066 HydrophobicContact CE-CG2 3.55Å
994	A	93.4	Very high	93.2	Very high	84 Å²	84	52.6 Å²	52.6	69%	0.694	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-32.9	171.9	0	0	0	0	0	111.9	Q990 R991 L992 S996	Q990-A994 PolarHBondContact O-N 2.87Å; R991-A994 WeakPolarHBondContact O-CB 3.33Å; L992-A994 PolarHBondContact O-N 3.3Å; L992-A994 VanDerWaalsContact O-N 3.14Å; A994-S996 PolarHBondContact O-N 3.24Å
995	D	92.6	Very high	93.6	Very high	60 Å²	60	53.6 Å²	53.6	32%	0.321	28%	0.283	S	S	.	.			trans	-88.2	79.5	167.5	174.2	2.7	0	0	0	108.9	L992 M993 E997 R998 F999	L992-D995 PolarHBondContact O-N 3.1Å; L992-D995 VanDerWaalsContact O-N 3.17Å; M993-D995 VanDerWaalsContact C-N 3.28Å; D995-E997 PolarHBondContact O-N 3.02Å; D995-E997 PolarHBondContact OD1-N 2.64Å; D995-R998 WeakPolarHBondContact OD1-CB 3.11Å; D995-R998 PolarHBondContact OD1-N 2.93Å; D995-R998 VanDerWaalsContact OD2-CB 3.23Å; D995-R998 WeakPolarHBondContact OD2-CB 3.41Å; D995-F999 HydrophobicContact CB-CD2 3.85Å; D995-F999 HydrophobicContact CB-CE2 4.22Å; D995-F999 WeakPolarHBondContact O-CB 3.46Å; D995-F999 PolarHBondContact O-N 2.86Å
996	S	90.5	Very high	93.8	Very high	87 Å²	87	52.3 Å²	52.3	61%	0.608	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-7	178.8	69.1	0	0	0	0	114.2	A994 K1063	A994-S996 PolarHBondContact O-N 3.24Å; S996-K1063 PolarHBondContact O-NZ 3.49Å
997	E	91.3	Very high	94	Very high	164 Å²	164	48.8 Å²	48.8	77%	0.766	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-52.1	173.7	-172.3	171.3	171	0	0	109.6	D995 K1063	D995-E997 PolarHBondContact O-N 3.02Å; D995-E997 PolarHBondContact OD1-N 2.64Å; E997-K1063 WeakPolarHBondContact O-CD 3.48Å; E997-K1063 WeakPolarHBondContact O-CE 3.4Å; E997-K1063 PolarHBondContact O-NZ 2.87Å
998	R	93.3	Very high	94.2	Very high	56 Å²	56	47 Å²	47	21%	0.211	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-36.5	-177.4	-171.3	174.8	174.9	-151.4	-0.1	113.9	D995 I1064 N1152 E1155	D995-R998 WeakPolarHBondContact OD1-CB 3.11Å; D995-R998 PolarHBondContact OD1-N 2.93Å; D995-R998 VanDerWaalsContact OD2-CB 3.23Å; D995-R998 WeakPolarHBondContact OD2-CB 3.41Å; R998-I1064 HydrophobicContact CG-CD1 3.91Å; R998-I1064 HydrophobicContact CG-CG1 4.36Å; R998-I1064 PolarHBondContact O-N 2.79Å; R998-N1152 VanDerWaalsContact CZ-OD1 3.26Å; R998-N1152 PolarHBondContact NH1-OD1 2.91Å; R998-N1152 PolarHBondContact NH2-OD1 3.38Å; R998-E1155 IonicContact CZ-OE2 3.68Å; R998-E1155 IonicContact NE-OE2 3.22Å; R998-E1155 PolarHBondContact NE-OE2 3.36Å; R998-E1155 IonicContact NH2-OE2 2.72Å; R998-E1155 PolarHBondContact NH2-OE2 3.47Å
999	F	95.9	Very high	94.1	Very high	3 Å²	3	51 Å²	51	1%	0.013	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	153.3	-173.7	-56.8	-86.8	0	0	0	112.9	L992 M993 D995 I1064 V1066 L1148 I1151	L992-F999 HydrophobicContact CB-CD1 4.37Å; L992-F999 HydrophobicContact CB-CG 4.32Å; L992-F999 HydrophobicContact CD2-CD1 4.43Å; L992-F999 HydrophobicContact CD2-CE1 3.88Å; L992-F999 HydrophobicContact CD2-CE2 4.09Å; L992-F999 HydrophobicContact CD2-CZ 3.69Å; L992-F999 WeakPolarHBondContact O-CD2 3.4Å; M993-F999 HydrophobicContact CE-CB 3.56Å; D995-F999 HydrophobicContact CB-CD2 3.85Å; D995-F999 HydrophobicContact CB-CE2 4.22Å; D995-F999 WeakPolarHBondContact O-CB 3.46Å; D995-F999 PolarHBondContact O-N 2.86Å; F999-I1064 WeakPolarHBondContact CA-O 3.26Å; F999-I1064 HydrophobicContact CD1-CB 3.65Å; F999-I1064 HydrophobicContact CD1-CD1 4.22Å; F999-I1064 HydrophobicContact CD1-CG1 4.45Å; F999-I1064 HydrophobicContact CD1-CG2 3.78Å; F999-I1064 HydrophobicContact CE1-CB 4Å; F999-I1064 HydrophobicContact CE1-CD1 3.72Å; F999-I1064 HydrophobicContact CE1-CG1 4.41Å; F999-I1064 HydrophobicContact CE1-CG2 3.9Å; F999-I1064 HydrophobicContact CZ-CD1 4.21Å; F999-V1066 HydrophobicContact CB-CG2 4.24Å; F999-V1066 HydrophobicContact CD1-CG2 3.63Å; F999-V1066 HydrophobicContact CE1-CG2 4.49Å; F999-V1066 HydrophobicContact CG-CG2 4.34Å; F999-L1148 HydrophobicContact CE2-CD1 4.4Å; F999-L1148 HydrophobicContact CZ-CD1 4.1Å; F999-I1151 HydrophobicContact CE1-CD1 4.17Å; F999-I1151 HydrophobicContact CE1-CG2 4.07Å; F999-I1151 HydrophobicContact CZ-CG2 4.25Å
1000	S	95.1	Very high	94.1	Very high	40 Å²	40	55.2 Å²	55.2	28%	0.28	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	166.7	171.1	-166.5	0	0	0	0	111.5	I1064 C1065 V1066	S1000-I1064 PolarHBondContact N-O 2.88Å; S1000-C1065 CarbonylContact O-C 3.54Å; S1000-C1065 WeakPolarHBondContact O-CA 3.44Å; S1000-V1066 PolarHBondContact O-N 3.04Å
1001	A	94.1	Very high	94.1	Very high	29 Å²	29	56.2 Å²	56.2	24%	0.24	30%	0.302	C	S	.	.			trans	-110.4	142.4	174.5	0	0	0	0	0	110.1	M993 V1003	M993-A1001 HydrophobicContact SD-CB 3.97Å; A1001-V1003 PolarHBondContact O-N 2.87Å
1002	A	94.5	Very high	94	Very high	9 Å²	9	62.1 Å²	62.1	7%	0.074	33%	0.333	C	S	.	.			trans	-64.4	131.7	170.2	0	0	0	0	0	110.3	P1004 T1050 A1054 I1055 L1067	A1002-P1004 VanDerWaalsContact O-CD 3.24Å; A1002-P1004 WeakPolarHBondContact O-CD 3.47Å; A1002-T1050 HydrophobicContact CB-CG2 3.93Å; A1002-A1054 HydrophobicContact CB-CB 4.04Å; A1002-A1054 WeakPolarHBondContact CB-O 3.48Å; A1002-I1055 HydrophobicContact CB-CG1 3.94Å; A1002-L1067 HydrophobicContact CB-CD2 3.8Å
1003	V	94.4	Very high	93.8	Very high	32 Å²	32	65.8 Å²	65.8	19%	0.194	37%	0.371	C	S	.	.			trans	-76.5	109.3	-178.3	-179.9	0	0	0	0	110.2	A1001 V1018 H1021 A1054	A1001-V1003 PolarHBondContact O-N 2.87Å; V1003-V1018 WeakPolarHBondContact CG2-O 3.37Å; V1003-H1021 PolarHBondContact O-ND1 3.34Å; V1003-H1021 VanDerWaalsContact O-ND1 3.08Å; V1003-A1054 WeakPolarHBondContact O-CB 3.4Å
1004	P	94.8	Very high	93.8	Very high	34 Å²	34	65.1 Å²	65.1	22%	0.221	37%	0.368	C	S	.	.			trans	-69.2	159	-174.4	30.2	-35.4	0	0	0	111.8	A1002 Y1020 H1021 G1049	A1002-P1004 VanDerWaalsContact O-CD 3.24Å; A1002-P1004 WeakPolarHBondContact O-CD 3.47Å; P1004-Y1020 HydrophobicContact CB-CD1 4.32Å; P1004-Y1020 HydrophobicContact CB-CE1 4.39Å; P1004-Y1020 HydrophobicContact CG-CD1 3.68Å; P1004-Y1020 HydrophobicContact CG-CE1 3.63Å; P1004-Y1020 CarbonylContact O-C 3.54Å; P1004-Y1020 VanDerWaalsContact O-CA 3.28Å; P1004-Y1020 WeakPolarHBondContact O-CA 3.49Å; P1004-H1021 PolarHBondContact O-N 3.36Å; P1004-G1049 CarbonylContact C-O 3.59Å; P1004-G1049 WeakPolarHBondContact CA-O 3.21Å
1005	H	95.4	Very high	93.8	Very high	26 Å²	26	64.9 Å²	64.9	12%	0.12	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	150.5	172.7	-61.3	34.8	0	0	0	109.4	H1021 I1023 F1028 F1037 Y1048 G1049 S1051	H1005-H1021 CarbonylContact C-O 3.55Å; H1005-H1021 VanDerWaalsContact CA-O 3.31Å; H1005-H1021 WeakPolarHBondContact CA-O 3.25Å; H1005-H1021 HydrophobicContact CB-CB 4.18Å; H1005-H1021 AromaticContact CE1-CG 3.62Å; H1005-H1021 AromaticContact CE1-ND1 3.46Å; H1005-H1021 PolarHBondContact CE1-ND1 3.1Å; H1005-H1021 AromaticContact ND1-CG 3.85Å; H1005-H1021 AromaticContact ND1-ND1 3.66Å; H1005-I1023 HydrophobicContact CB-CD1 4.38Å; H1005-F1028 HydrophobicContact CB-CD2 4.47Å; H1005-F1028 HydrophobicContact CB-CE2 3.98Å; H1005-F1037 HydrophobicContact CB-CE1 3.72Å; H1005-F1037 HydrophobicContact CB-CZ 3.79Å; H1005-F1037 AromaticContact CG-CE1 3.77Å; H1005-Y1048 WeakPolarHBondContact O-CA 3.29Å; H1005-G1049 PolarHBondContact N-O 3.36Å; H1005-G1049 PolarHBondContact O-N 2.86Å; H1005-G1049 VanDerWaalsContact O-N 3.08Å; H1005-S1051 PolarHBondContact CE1-OG 2.88Å
1006	T	96.3	Very high	93.8	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	149.4	172	-171.2	0	0	0	0	112.4	R1008 Y1020 H1021 F1022 I1023 Y1047 Y1048	T1006-R1008 HydrophobicContact CG2-CB 4.19Å; T1006-R1008 WeakPolarHBondContact OG1-CB 3.38Å; T1006-R1008 PolarHBondContact OG1-N 3.04Å; T1006-Y1020 HydrophobicContact CG2-CD1 3.84Å; T1006-Y1020 HydrophobicContact CG2-CG 3.81Å; T1006-H1021 PolarHBondContact N-O 3.3Å; T1006-F1022 HydrophobicContact CG2-CD1 3.51Å; T1006-F1022 HydrophobicContact CG2-CE1 3.78Å; T1006-F1022 HydrophobicContact CG2-CG 4.41Å; T1006-I1023 PolarHBondContact O-N 2.85Å; T1006-Y1047 CarbonylContact C-O 3.59Å; T1006-Y1047 WeakPolarHBondContact CA-O 3.36Å; T1006-Y1047 PolarHBondContact OG1-O 2.92Å; T1006-Y1048 WeakPolarHBondContact OG1-CD1 3.47Å; T1006-Y1048 WeakPolarHBondContact OG1-CE1 3.48Å
1007	S	95.6	Very high	93.6	Very high	24 Å²	24	63.1 Å²	63.1	17%	0.168	35%	0.353	C	S	.	.	S	Bend	trans	-93.6	7.5	166.5	89	0	0	0	0	113.6	I1023 Y1047	S1007-I1023 WeakPolarHBondContact CA-O 3.49Å; S1007-Y1047 PolarHBondContact N-O 3.27Å; S1007-Y1047 PolarHBondContact OG-N 3.04Å
1008	R	95.6	Very high	93.5	Very high	33 Å²	33	60 Å²	60	13%	0.125	35%	0.346	C	S	.	.	S	Bend	trans	-76.1	146.7	173.5	-173.2	-178.8	44.7	85.3	-16.1	109.8	T1006 E1014 F1022 A1046 Y1048	T1006-R1008 HydrophobicContact CG2-CB 4.19Å; T1006-R1008 WeakPolarHBondContact OG1-CB 3.38Å; T1006-R1008 PolarHBondContact OG1-N 3.04Å; R1008-E1014 IonicContact CZ-OE1 3.56Å; R1008-E1014 IonicContact CZ-OE2 3.24Å; R1008-E1014 IonicContact NH1-OE1 3.57Å; R1008-E1014 PolarHBondContact NH1-OE1 3.22Å; R1008-E1014 IonicContact NH1-OE2 2.9Å; R1008-E1014 PolarHBondContact NH1-OE2 3Å; R1008-E1014 IonicContact NH2-OE1 3.36Å; R1008-E1014 PolarHBondContact NH2-OE1 3.12Å; R1008-E1014 IonicContact NH2-OE2 2.65Å; R1008-E1014 PolarHBondContact NH2-OE2 2.98Å; R1008-F1022 WeakPolarHBondContact O-CD1 3.47Å; R1008-A1046 HydrophobicContact CB-CB 3.8Å; R1008-Y1048 VanDerWaalsContact CD-OH 3.27Å; R1008-Y1048 WeakPolarHBondContact CD-OH 3.49Å; R1008-Y1048 PolarHBondContact NE-OH 3.12Å
1009	A	92.8	Very high	93.4	Very high	83 Å²	83	60.7 Å²	60.7	69%	0.686	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-64.5	139.1	166.8	0	0	0	0	0	111.5	R1011	A1009-R1011 PolarHBondContact O-N 3.02Å
1010	R	94.3	Very high	93.3	Very high	155 Å²	155	63.6 Å²	63.6	59%	0.585	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-59	129.4	174.3	-173.3	-176.6	76.1	160.8	-2.7	110.9	E1014 F1022	R1010-E1014 WeakPolarHBondContact CD-O 3.35Å; R1010-E1014 HydrophobicContact CG-CB 3.83Å; R1010-F1022 HydrophobicContact CB-CD1 3.99Å; R1010-F1022 HydrophobicContact CB-CD2 4.21Å; R1010-F1022 HydrophobicContact CB-CE1 3.85Å; R1010-F1022 HydrophobicContact CB-CE2 4.08Å; R1010-F1022 HydrophobicContact CB-CG 4.17Å; R1010-F1022 HydrophobicContact CB-CZ 3.89Å; R1010-F1022 HydrophobicContact CG-CD2 4.23Å; R1010-F1022 HydrophobicContact CG-CE1 4.17Å; R1010-F1022 HydrophobicContact CG-CE2 3.72Å; R1010-F1022 HydrophobicContact CG-CZ 3.69Å
1011	R	94	Very high	93.3	Very high	137 Å²	137	65 Å²	65	52%	0.517	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-84.8	163.9	172.8	-68.6	165.6	177.2	166.1	-0.1	110.4	A1009 E1014 E1044	A1009-R1011 PolarHBondContact O-N 3.02Å; R1011-E1014 HydrophobicContact CB-CG 4.13Å; R1011-E1014 PolarHBondContact N-OE2 2.78Å; R1011-E1014 PolarHBondContact O-N 3.2Å; R1011-E1044 IonicContact NH2-OE2 2.68Å
1012	E	91.1	Very high	93.4	Very high	200 Å²	200	66 Å²	66	94%	0.935	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	137	171.8	-63.8	-179.5	170.8	0	0	110.1
1013	G	91.7	Very high	93.4	Very high	78 Å²	78	67.8 Å²	67.8	80%	0.804	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	-20.5	-172.8	0	0	0	0	0	115.7
1014	E	94.4	Very high	93.5	Very high	34 Å²	34	70.5 Å²	70.5	16%	0.159	39%	0.39	C	S	.	.			trans	-80.1	136.4	-179.5	-63.5	178.4	160.2	0	0	112.5	R1008 R1010 R1011 D1019 F1022	R1008-E1014 IonicContact CZ-OE1 3.56Å; R1008-E1014 IonicContact CZ-OE2 3.24Å; R1008-E1014 IonicContact NH1-OE1 3.57Å; R1008-E1014 PolarHBondContact NH1-OE1 3.22Å; R1008-E1014 IonicContact NH1-OE2 2.9Å; R1008-E1014 PolarHBondContact NH1-OE2 3Å; R1008-E1014 IonicContact NH2-OE1 3.36Å; R1008-E1014 PolarHBondContact NH2-OE1 3.12Å; R1008-E1014 IonicContact NH2-OE2 2.65Å; R1008-E1014 PolarHBondContact NH2-OE2 2.98Å; R1010-E1014 WeakPolarHBondContact CD-O 3.35Å; R1010-E1014 HydrophobicContact CG-CB 3.83Å; R1011-E1014 HydrophobicContact CB-CG 4.13Å; R1011-E1014 PolarHBondContact N-OE2 2.78Å; R1011-E1014 PolarHBondContact O-N 3.2Å; E1014-D1019 WeakPolarHBondContact CA-OD2 3.45Å; E1014-F1022 HydrophobicContact CB-CE2 4.48Å; E1014-F1022 HydrophobicContact CB-CZ 3.95Å; E1014-F1022 WeakPolarHBondContact OE2-CZ 3.45Å
1015	V	93.2	Very high	93.5	Very high	79 Å²	79	72.9 Å²	72.9	48%	0.479	40%	0.395	S	S	.	.			trans	-106.9	119	-177.6	-179.5	0	0	0	0	110.5	G1017 V1018 D1019	V1015-G1017 PolarHBondContact O-N 2.83Å; V1015-V1018 HydrophobicContact CB-CB 4.09Å; V1015-V1018 HydrophobicContact CB-CG2 4.32Å; V1015-V1018 HydrophobicContact CG1-CB 4.05Å; V1015-V1018 HydrophobicContact CG1-CG2 3.73Å; V1015-V1018 PolarHBondContact O-N 3.03Å; V1015-D1019 PolarHBondContact N-OD2 2.81Å; V1015-D1019 PolarHBondContact O-N 2.97Å; V1015-D1019 VanDerWaalsContact O-N 3.07Å
1016	P	91.8	Very high	93.5	Very high	73 Å²	73	79.2 Å²	79.2	47%	0.474	43%	0.425	S	S	.	.	B	Isolated β-bridge	trans	-59.3	134.8	176.5	-23.2	34.3	0	0	0	112.3	V1018 F1022	P1016-V1018 PolarHBondContact O-N 3.48Å; P1016-F1022 HydrophobicContact CB-CD2 4.09Å; P1016-F1022 HydrophobicContact CG-CD2 4.18Å; P1016-F1022 HydrophobicContact CG-CE2 4.42Å
1017	G	86.6	Confident	93.5	Very high	36 Å²	36	80.9 Å²	80.9	37%	0.371	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	-1.6	-178.7	0	0	0	0	0	114.9	V1015 Y1020	V1015-G1017 PolarHBondContact O-N 2.83Å; G1017-Y1020 PolarHBondContact N-O 3Å
1018	V	88.4	Confident	93.6	Very high	100 Å²	100	79.7 Å²	79.7	61%	0.606	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	-57.5	171	-179.5	0	0	0	0	110.2	V1003 V1015 P1016	V1003-V1018 WeakPolarHBondContact CG2-O 3.37Å; V1015-V1018 HydrophobicContact CB-CB 4.09Å; V1015-V1018 HydrophobicContact CB-CG2 4.32Å; V1015-V1018 HydrophobicContact CG1-CB 4.05Å; V1015-V1018 HydrophobicContact CG1-CG2 3.73Å; V1015-V1018 PolarHBondContact O-N 3.03Å; P1016-V1018 PolarHBondContact O-N 3.48Å
1019	D	90.8	Very high	93.5	Very high	70 Å²	70	81.6 Å²	81.6	37%	0.374	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-50.7	177.1	-62.3	-66.3	0	0	0	111.3	E1014 V1015	E1014-D1019 WeakPolarHBondContact CA-OD2 3.45Å; V1015-D1019 PolarHBondContact N-OD2 2.81Å; V1015-D1019 PolarHBondContact O-N 2.97Å; V1015-D1019 VanDerWaalsContact O-N 3.07Å
1020	Y	95.2	Very high	93.6	Very high	63 Å²	63	80 Å²	80	25%	0.247	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-148.5	151.5	179.6	-65.4	-90.3	0	0	0	112.1	P1004 T1006 G1017 F1022 Y1048	P1004-Y1020 HydrophobicContact CB-CD1 4.32Å; P1004-Y1020 HydrophobicContact CB-CE1 4.39Å; P1004-Y1020 HydrophobicContact CG-CD1 3.68Å; P1004-Y1020 HydrophobicContact CG-CE1 3.63Å; P1004-Y1020 CarbonylContact O-C 3.54Å; P1004-Y1020 VanDerWaalsContact O-CA 3.28Å; P1004-Y1020 WeakPolarHBondContact O-CA 3.49Å; T1006-Y1020 HydrophobicContact CG2-CD1 3.84Å; T1006-Y1020 HydrophobicContact CG2-CG 3.81Å; G1017-Y1020 PolarHBondContact N-O 3Å; Y1020-F1022 HydrophobicContact CD2-CE1 4.32Å; Y1020-F1022 HydrophobicContact CD2-CZ 4.1Å; Y1020-F1022 HydrophobicContact CG-CE1 4.38Å; Y1020-F1022 HydrophobicContact CG-CZ 4.36Å; Y1020-F1022 WeakPolarHBondContact O-CD2 3.43Å; Y1020-F1022 PolarHBondContact O-N 3.35Å; Y1020-Y1048 HydrophobicContact CD1-CD1 4.32Å; Y1020-Y1048 HydrophobicContact CD1-CE1 4.49Å; Y1020-Y1048 AromaticContact CE1-CD1 3.71Å; Y1020-Y1048 HydrophobicContact CE1-CD1 3.71Å; Y1020-Y1048 AromaticContact CE1-CE1 3.86Å; Y1020-Y1048 HydrophobicContact CE1-CE1 3.86Å
1021	H	94.8	Very high	93.6	Very high	69 Å²	69	73.6 Å²	73.6	32%	0.319	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	95.6	157	-68.5	99.7	0	0	0	109	V1003 P1004 H1005 T1006 I1023	V1003-H1021 PolarHBondContact O-ND1 3.34Å; V1003-H1021 VanDerWaalsContact O-ND1 3.08Å; P1004-H1021 PolarHBondContact O-N 3.36Å; H1005-H1021 CarbonylContact C-O 3.55Å; H1005-H1021 VanDerWaalsContact CA-O 3.31Å; H1005-H1021 WeakPolarHBondContact CA-O 3.25Å; H1005-H1021 HydrophobicContact CB-CB 4.18Å; H1005-H1021 AromaticContact CE1-CG 3.62Å; H1005-H1021 AromaticContact CE1-ND1 3.46Å; H1005-H1021 PolarHBondContact CE1-ND1 3.1Å; H1005-H1021 AromaticContact ND1-CG 3.85Å; H1005-H1021 AromaticContact ND1-ND1 3.66Å; T1006-H1021 PolarHBondContact N-O 3.3Å; H1021-I1023 PolarHBondContact O-N 3.06Å
1022	F	95.6	Very high	93.6	Very high	50 Å²	50	68.3 Å²	68.3	22%	0.219	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	109.3	178.7	-60.8	-79.2	0	0	0	110.5	T1006 R1008 R1010 E1014 P1016 Y1020	T1006-F1022 HydrophobicContact CG2-CD1 3.51Å; T1006-F1022 HydrophobicContact CG2-CE1 3.78Å; T1006-F1022 HydrophobicContact CG2-CG 4.41Å; R1008-F1022 WeakPolarHBondContact O-CD1 3.47Å; R1010-F1022 HydrophobicContact CB-CD1 3.99Å; R1010-F1022 HydrophobicContact CB-CD2 4.21Å; R1010-F1022 HydrophobicContact CB-CE1 3.85Å; R1010-F1022 HydrophobicContact CB-CE2 4.08Å; R1010-F1022 HydrophobicContact CB-CG 4.17Å; R1010-F1022 HydrophobicContact CB-CZ 3.89Å; R1010-F1022 HydrophobicContact CG-CD2 4.23Å; R1010-F1022 HydrophobicContact CG-CE1 4.17Å; R1010-F1022 HydrophobicContact CG-CE2 3.72Å; R1010-F1022 HydrophobicContact CG-CZ 3.69Å; E1014-F1022 HydrophobicContact CB-CE2 4.48Å; E1014-F1022 HydrophobicContact CB-CZ 3.95Å; E1014-F1022 WeakPolarHBondContact OE2-CZ 3.45Å; P1016-F1022 HydrophobicContact CB-CD2 4.09Å; P1016-F1022 HydrophobicContact CG-CD2 4.18Å; P1016-F1022 HydrophobicContact CG-CE2 4.42Å; Y1020-F1022 HydrophobicContact CD2-CE1 4.32Å; Y1020-F1022 HydrophobicContact CD2-CZ 4.1Å; Y1020-F1022 HydrophobicContact CG-CE1 4.38Å; Y1020-F1022 HydrophobicContact CG-CZ 4.36Å; Y1020-F1022 WeakPolarHBondContact O-CD2 3.43Å; Y1020-F1022 PolarHBondContact O-N 3.35Å
1023	I	95.6	Very high	93.6	Very high	47 Å²	47	65.9 Å²	65.9	24%	0.241	38%	0.379	C	S	.	.			trans	-124.5	163.3	-179.4	63.4	169.7	0	0	0	111.6	H1005 T1006 S1007 H1021 A1027 F1028	H1005-I1023 HydrophobicContact CB-CD1 4.38Å; T1006-I1023 PolarHBondContact O-N 2.85Å; S1007-I1023 WeakPolarHBondContact CA-O 3.49Å; H1021-I1023 PolarHBondContact O-N 3.06Å; I1023-A1027 HydrophobicContact CB-CB 4.32Å; I1023-A1027 HydrophobicContact CD1-CB 4.35Å; I1023-F1028 HydrophobicContact CD1-CB 3.81Å; I1023-F1028 HydrophobicContact CD1-CD2 3.72Å; I1023-F1028 HydrophobicContact CD1-CG 4.07Å; I1023-F1028 HydrophobicContact CG1-CB 4.23Å; I1023-F1028 HydrophobicContact CG1-CD2 3.96Å
1024	T	96.1	Very high	93.6	Very high	89 Å²	89	64.9 Å²	64.9	55%	0.546	36%	0.363	S	S	.	.			trans	-71.2	154.2	176	69.5	0	0	0	0	110.7	Q1026 A1027 F1028	T1024-Q1026 PolarHBondContact O-N 3.24Å; T1024-A1027 PolarHBondContact O-N 2.59Å; T1024-A1027 VanDerWaalsContact O-N 3.13Å; T1024-A1027 WeakPolarHBondContact OG1-CB 3.39Å; T1024-A1027 PolarHBondContact OG1-N 3.3Å; T1024-A1027 VanDerWaalsContact OG1-N 3.1Å; T1024-F1028 PolarHBondContact O-N 3.49Å
1025	R	94.9	Very high	93.3	Very high	85 Å²	85	69.9 Å²	69.9	32%	0.321	38%	0.381	S	S	.	.	H	α-helix	trans	-57.9	-38.3	175.6	-175	172	-176.3	129.5	2.8	112.1	F1028 E1029 E1042 K1045 Y1047	R1025-F1028 WeakPolarHBondContact O-CB 3.35Å; R1025-F1028 PolarHBondContact O-N 2.96Å; R1025-E1029 HydrophobicContact CG-CG 4.42Å; R1025-E1029 VanDerWaalsContact CG-OE1 3.3Å; R1025-E1029 WeakPolarHBondContact CG-OE1 3.35Å; R1025-E1029 IonicContact CZ-OE1 3.49Å; R1025-E1029 IonicContact NE-OE1 3.73Å; R1025-E1029 PolarHBondContact NE-OE1 3.45Å; R1025-E1029 IonicContact NH2-OE1 3.96Å; R1025-E1029 WeakPolarHBondContact O-CB 3.4Å; R1025-E1029 VanDerWaalsContact O-CG 3.32Å; R1025-E1029 WeakPolarHBondContact O-CG 3.39Å; R1025-E1029 PolarHBondContact O-N 3.4Å; R1025-E1042 IonicContact CZ-OE1 3.22Å; R1025-E1042 VanDerWaalsContact CZ-OE1 3.31Å; R1025-E1042 IonicContact NH1-OE1 3.88Å; R1025-E1042 PolarHBondContact NH1-OE1 3.08Å; R1025-E1042 IonicContact NH2-OE1 3.03Å; R1025-E1042 PolarHBondContact NH2-OE1 2.75Å; R1025-E1042 IonicContact NH2-OE2 2.79Å; R1025-E1042 PolarHBondContact NH2-OE2 3.09Å; R1025-K1045 PolarHBondContact NH1-O 3.5Å; R1025-Y1047 HydrophobicContact CG-CD2 3.95Å; R1025-Y1047 HydrophobicContact CG-CE2 3.86Å; R1025-Y1047 VanDerWaalsContact CZ-CE2 3.49Å; R1025-Y1047 PolarHBondContact NH2-OH 3.34Å
1026	Q	95.7	Very high	93.3	Very high	159 Å²	159	71.8 Å²	71.8	74%	0.743	38%	0.379	S	S	*	.	H	α-helix	trans	-64.9	-39.8	175.7	-68.9	174.5	-18.6	0	0	112.8	T1024 E1029 A1030	T1024-Q1026 PolarHBondContact O-N 3.24Å; Q1026-E1029 PolarHBondContact O-N 3.02Å; Q1026-A1030 WeakPolarHBondContact O-CB 3.33Å; Q1026-A1030 PolarHBondContact O-N 3.37Å
1027	A	95.6	Very high	93.3	Very high	34 Å²	34	68.4 Å²	68.4	28%	0.281	36%	0.357	S	S	.	.	H	α-helix	trans	-64	-46.9	172.1	0	0	0	0	0	110.3	I1023 T1024 E1029 A1030 D1031	I1023-A1027 HydrophobicContact CB-CB 4.32Å; I1023-A1027 HydrophobicContact CD1-CB 4.35Å; T1024-A1027 PolarHBondContact O-N 2.59Å; T1024-A1027 VanDerWaalsContact O-N 3.13Å; T1024-A1027 WeakPolarHBondContact OG1-CB 3.39Å; T1024-A1027 PolarHBondContact OG1-N 3.3Å; T1024-A1027 VanDerWaalsContact OG1-N 3.1Å; A1027-E1029 VanDerWaalsContact C-N 3.32Å; A1027-E1029 PolarHBondContact O-N 3.43Å; A1027-A1030 PolarHBondContact O-N 2.76Å; A1027-A1030 VanDerWaalsContact O-N 3.09Å; A1027-D1031 WeakPolarHBondContact O-CB 3.38Å; A1027-D1031 VanDerWaalsContact O-CG 3.24Å; A1027-D1031 PolarHBondContact O-N 2.91Å
1028	F	96.8	Very high	93.6	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-57.1	-43.9	177.2	-155.3	-64.2	0	0	0	111.9	H1005 I1023 T1024 R1025 D1031 I1032 F1037 H1040 Y1047	H1005-F1028 HydrophobicContact CB-CD2 4.47Å; H1005-F1028 HydrophobicContact CB-CE2 3.98Å; I1023-F1028 HydrophobicContact CD1-CB 3.81Å; I1023-F1028 HydrophobicContact CD1-CD2 3.72Å; I1023-F1028 HydrophobicContact CD1-CG 4.07Å; I1023-F1028 HydrophobicContact CG1-CB 4.23Å; I1023-F1028 HydrophobicContact CG1-CD2 3.96Å; T1024-F1028 PolarHBondContact O-N 3.49Å; R1025-F1028 WeakPolarHBondContact O-CB 3.35Å; R1025-F1028 PolarHBondContact O-N 2.96Å; F1028-D1031 PolarHBondContact O-N 3.13Å; F1028-I1032 HydrophobicContact CD1-CD1 3.61Å; F1028-I1032 HydrophobicContact CD1-CG1 3.9Å; F1028-I1032 HydrophobicContact CE1-CD1 3.77Å; F1028-I1032 HydrophobicContact CE1-CG1 3.92Å; F1028-I1032 VanDerWaalsContact O-CG1 3.27Å; F1028-I1032 WeakPolarHBondContact O-CG1 3.47Å; F1028-I1032 PolarHBondContact O-N 3.38Å; F1028-F1037 HydrophobicContact CD1-CD2 4.31Å; F1028-F1037 AromaticContact CD1-CE2 3.61Å; F1028-F1037 HydrophobicContact CD1-CE2 3.61Å; F1028-F1037 HydrophobicContact CD1-CZ 4.21Å; F1028-F1037 HydrophobicContact CD2-CE2 4.21Å; F1028-F1037 AromaticContact CD2-CZ 3.99Å; F1028-F1037 HydrophobicContact CD2-CZ 3.99Å; F1028-F1037 AromaticContact CE1-CD2 3.74Å; F1028-F1037 HydrophobicContact CE1-CD2 3.74Å; F1028-F1037 AromaticContact CE1-CE2 3.32Å; F1028-F1037 HydrophobicContact CE1-CE2 3.32Å; F1028-F1037 HydrophobicContact CE1-CG 4.49Å; F1028-F1037 AromaticContact CE1-CZ 3.8Å; F1028-F1037 HydrophobicContact CE1-CZ 3.8Å; F1028-F1037 HydrophobicContact CE2-CE1 4.21Å; F1028-F1037 AromaticContact CE2-CE2 3.98Å; F1028-F1037 HydrophobicContact CE2-CE2 3.98Å; F1028-F1037 AromaticContact CE2-CZ 3.59Å; F1028-F1037 HydrophobicContact CE2-CZ 3.59Å; F1028-F1037 HydrophobicContact CG-CE2 4.02Å; F1028-F1037 HydrophobicContact CG-CZ 4.27Å; F1028-F1037 HydrophobicContact CZ-CD1 4.42Å; F1028-F1037 HydrophobicContact CZ-CD2 4.09Å; F1028-F1037 AromaticContact CZ-CE1 3.95Å; F1028-F1037 HydrophobicContact CZ-CE1 3.95Å; F1028-F1037 AromaticContact CZ-CE2 3.51Å; F1028-F1037 HydrophobicContact CZ-CE2 3.51Å; F1028-F1037 AromaticContact CZ-CZ 3.46Å; F1028-F1037 HydrophobicContact CZ-CZ 3.46Å; F1028-F1037 VanDerWaalsContact CZ-CZ 3.46Å; F1028-H1040 HydrophobicContact CE1-CB 3.83Å; F1028-H1040 HydrophobicContact CZ-CB 4.05Å; F1028-Y1047 HydrophobicContact CB-CD2 4.28Å; F1028-Y1047 AromaticContact CD1-CD2 3.94Å; F1028-Y1047 HydrophobicContact CD1-CD2 3.94Å; F1028-Y1047 AromaticContact CD1-CG 3.85Å; F1028-Y1047 HydrophobicContact CD1-CG 3.85Å; F1028-Y1047 HydrophobicContact CE1-CG 4.13Å; F1028-Y1047 HydrophobicContact CG-CD2 4.15Å; F1028-Y1047 HydrophobicContact CG-CG 4.23Å
1029	E	94.8	Very high	93.8	Very high	73 Å²	73	62.7 Å²	62.7	34%	0.341	31%	0.314	S	S	.	.	H	α-helix	trans	-65.9	-35.1	177	-72.3	165.6	-178.2	0	0	112.4	R1025 Q1026 A1027 L1033 Y1047	R1025-E1029 HydrophobicContact CG-CG 4.42Å; R1025-E1029 VanDerWaalsContact CG-OE1 3.3Å; R1025-E1029 WeakPolarHBondContact CG-OE1 3.35Å; R1025-E1029 IonicContact CZ-OE1 3.49Å; R1025-E1029 IonicContact NE-OE1 3.73Å; R1025-E1029 PolarHBondContact NE-OE1 3.45Å; R1025-E1029 IonicContact NH2-OE1 3.96Å; R1025-E1029 WeakPolarHBondContact O-CB 3.4Å; R1025-E1029 VanDerWaalsContact O-CG 3.32Å; R1025-E1029 WeakPolarHBondContact O-CG 3.39Å; R1025-E1029 PolarHBondContact O-N 3.4Å; Q1026-E1029 PolarHBondContact O-N 3.02Å; A1027-E1029 VanDerWaalsContact C-N 3.32Å; A1027-E1029 PolarHBondContact O-N 3.43Å; E1029-L1033 WeakPolarHBondContact O-CG 3.5Å; E1029-L1033 PolarHBondContact O-N 2.95Å; E1029-Y1047 HydrophobicContact CG-CD2 4.49Å; E1029-Y1047 HydrophobicContact CG-CE2 3.73Å; E1029-Y1047 WeakPolarHBondContact OE1-CE2 3.48Å
1030	A	95.3	Very high	93.9	Very high	50 Å²	50	60 Å²	60	41%	0.413	30%	0.299	S	S	.	.	H	α-helix	trans	-70.9	-37.4	172	0	0	0	0	0	113	Q1026 A1027 L1033 A1034	Q1026-A1030 WeakPolarHBondContact O-CB 3.33Å; Q1026-A1030 PolarHBondContact O-N 3.37Å; A1027-A1030 PolarHBondContact O-N 2.76Å; A1027-A1030 VanDerWaalsContact O-N 3.09Å; A1030-L1033 PolarHBondContact O-N 3.2Å; A1030-A1034 WeakPolarHBondContact O-CB 3.41Å; A1030-A1034 PolarHBondContact O-N 3.5Å
1031	D	94.4	Very high	93.8	Very high	19 Å²	19	57.3 Å²	57.3	10%	0.102	29%	0.29	C	S	.	.	H	α-helix	trans	-65.5	-37	176.2	-74.4	24.4	0	0	0	111.9	A1027 F1028 R1035 R1036 F1037	A1027-D1031 WeakPolarHBondContact O-CB 3.38Å; A1027-D1031 VanDerWaalsContact O-CG 3.24Å; A1027-D1031 PolarHBondContact O-N 2.91Å; F1028-D1031 PolarHBondContact O-N 3.13Å; D1031-R1035 PolarHBondContact O-N 3.38Å; D1031-R1036 VanDerWaalsContact CG-CZ 3.45Å; D1031-R1036 VanDerWaalsContact CG-NH2 3.3Å; D1031-R1036 PolarHBondContact O-N 2.76Å; D1031-R1036 IonicContact OD1-CZ 3.28Å; D1031-R1036 IonicContact OD1-NH1 3.94Å; D1031-R1036 PolarHBondContact OD1-NH1 3.14Å; D1031-R1036 IonicContact OD1-NH2 2.7Å; D1031-R1036 PolarHBondContact OD1-NH2 2.89Å; D1031-R1036 IonicContact OD2-CZ 2.68Å; D1031-R1036 IonicContact OD2-NH1 3.17Å; D1031-R1036 PolarHBondContact OD2-NH1 3.38Å; D1031-R1036 IonicContact OD2-NH2 3.37Å; D1031-F1037 HydrophobicContact CB-CD2 4.06Å; D1031-F1037 HydrophobicContact CB-CE2 3.44Å; D1031-F1037 VanDerWaalsContact CB-CE2 3.44Å; D1031-F1037 HydrophobicContact CB-CZ 4.15Å
1032	I	92.3	Very high	93.7	Very high	26 Å²	26	57.8 Å²	57.8	13%	0.133	29%	0.293	C	S	.	.	H	α-helix	trans	-59.3	-54.5	168.2	-72.9	170.5	0	0	0	110.2	T946 F1028 A1034 R1035 F1037 H1040	T946-I1032 HydrophobicContact CG2-CG2 3.7Å; F1028-I1032 HydrophobicContact CD1-CD1 3.61Å; F1028-I1032 HydrophobicContact CD1-CG1 3.9Å; F1028-I1032 HydrophobicContact CE1-CD1 3.77Å; F1028-I1032 HydrophobicContact CE1-CG1 3.92Å; F1028-I1032 VanDerWaalsContact O-CG1 3.27Å; F1028-I1032 WeakPolarHBondContact O-CG1 3.47Å; F1028-I1032 PolarHBondContact O-N 3.38Å; I1032-A1034 PolarHBondContact O-N 3.4Å; I1032-R1035 WeakPolarHBondContact O-CA 3.18Å; I1032-R1035 PolarHBondContact O-N 3.35Å; I1032-F1037 HydrophobicContact CG1-CD2 3.89Å; I1032-F1037 HydrophobicContact CG1-CE2 4.37Å; I1032-H1040 WeakPolarHBondContact CD1-ND1 3.37Å
1033	L	92.8	Very high	93.4	Very high	150 Å²	150	61.6 Å²	61.6	79%	0.785	31%	0.307	S	S	*	.	H	α-helix	trans	-61.9	-33	-178.5	-69.3	169.9	0	0	0	112.5	E1029 A1030 R1035	E1029-L1033 WeakPolarHBondContact O-CG 3.5Å; E1029-L1033 PolarHBondContact O-N 2.95Å; A1030-L1033 PolarHBondContact O-N 3.2Å; L1033-R1035 PolarHBondContact O-N 2.99Å
1034	A	91.1	Very high	93.2	Very high	57 Å²	57	65.5 Å²	65.5	47%	0.471	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	4.6	173.5	0	0	0	0	0	114.4	A1030 I1032 R1036	A1030-A1034 WeakPolarHBondContact O-CB 3.41Å; A1030-A1034 PolarHBondContact O-N 3.5Å; I1032-A1034 PolarHBondContact O-N 3.4Å; A1034-R1036 HydrophobicContact CB-CG 4.31Å; A1034-R1036 PolarHBondContact O-N 3.01Å
1035	R	88.6	Confident	93	Very high	139 Å²	139	70 Å²	70	53%	0.525	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	30.3	-178	-59.3	-169.4	167.9	-158.1	-5.8	114.7	T946 D1031 I1032 L1033	T946-R1035 PolarHBondContact O-NH2 3.5Å; D1031-R1035 PolarHBondContact O-N 3.38Å; I1032-R1035 WeakPolarHBondContact O-CA 3.18Å; I1032-R1035 PolarHBondContact O-N 3.35Å; L1033-R1035 PolarHBondContact O-N 2.99Å
1036	R	91.3	Very high	92.9	Very high	119 Å²	119	66.3 Å²	66.3	45%	0.449	32%	0.324	S	S	.	.			trans	-80.9	-14.2	-179.5	-75	-171.4	-84.1	113.6	1.8	114.1	D1031 A1034 S1051 L1052	D1031-R1036 VanDerWaalsContact CG-CZ 3.45Å; D1031-R1036 VanDerWaalsContact CG-NH2 3.3Å; D1031-R1036 PolarHBondContact O-N 2.76Å; D1031-R1036 IonicContact OD1-CZ 3.28Å; D1031-R1036 IonicContact OD1-NH1 3.94Å; D1031-R1036 PolarHBondContact OD1-NH1 3.14Å; D1031-R1036 IonicContact OD1-NH2 2.7Å; D1031-R1036 PolarHBondContact OD1-NH2 2.89Å; D1031-R1036 IonicContact OD2-CZ 2.68Å; D1031-R1036 IonicContact OD2-NH1 3.17Å; D1031-R1036 PolarHBondContact OD2-NH1 3.38Å; D1031-R1036 IonicContact OD2-NH2 3.37Å; A1034-R1036 HydrophobicContact CB-CG 4.31Å; A1034-R1036 PolarHBondContact O-N 3.01Å; R1036-S1051 VanDerWaalsContact O-CA 3.22Å; R1036-S1051 WeakPolarHBondContact O-CA 3.23Å; R1036-S1051 WeakPolarHBondContact O-CB 3.37Å; R1036-L1052 PolarHBondContact O-N 3.06Å
1037	F	92.7	Very high	92.9	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.009	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.2	173.4	-70.9	-62.5	0	0	0	112.7	H1005 F1028 D1031 I1032 H1040 L1076	H1005-F1037 HydrophobicContact CB-CE1 3.72Å; H1005-F1037 HydrophobicContact CB-CZ 3.79Å; H1005-F1037 AromaticContact CG-CE1 3.77Å; F1028-F1037 HydrophobicContact CD1-CD2 4.31Å; F1028-F1037 AromaticContact CD1-CE2 3.61Å; F1028-F1037 HydrophobicContact CD1-CE2 3.61Å; F1028-F1037 HydrophobicContact CD1-CZ 4.21Å; F1028-F1037 HydrophobicContact CD2-CE2 4.21Å; F1028-F1037 AromaticContact CD2-CZ 3.99Å; F1028-F1037 HydrophobicContact CD2-CZ 3.99Å; F1028-F1037 AromaticContact CE1-CD2 3.74Å; F1028-F1037 HydrophobicContact CE1-CD2 3.74Å; F1028-F1037 AromaticContact CE1-CE2 3.32Å; F1028-F1037 HydrophobicContact CE1-CE2 3.32Å; F1028-F1037 HydrophobicContact CE1-CG 4.49Å; F1028-F1037 AromaticContact CE1-CZ 3.8Å; F1028-F1037 HydrophobicContact CE1-CZ 3.8Å; F1028-F1037 HydrophobicContact CE2-CE1 4.21Å; F1028-F1037 AromaticContact CE2-CE2 3.98Å; F1028-F1037 HydrophobicContact CE2-CE2 3.98Å; F1028-F1037 AromaticContact CE2-CZ 3.59Å; F1028-F1037 HydrophobicContact CE2-CZ 3.59Å; F1028-F1037 HydrophobicContact CG-CE2 4.02Å; F1028-F1037 HydrophobicContact CG-CZ 4.27Å; F1028-F1037 HydrophobicContact CZ-CD1 4.42Å; F1028-F1037 HydrophobicContact CZ-CD2 4.09Å; F1028-F1037 AromaticContact CZ-CE1 3.95Å; F1028-F1037 HydrophobicContact CZ-CE1 3.95Å; F1028-F1037 AromaticContact CZ-CE2 3.51Å; F1028-F1037 HydrophobicContact CZ-CE2 3.51Å; F1028-F1037 AromaticContact CZ-CZ 3.46Å; F1028-F1037 HydrophobicContact CZ-CZ 3.46Å; F1028-F1037 VanDerWaalsContact CZ-CZ 3.46Å; D1031-F1037 HydrophobicContact CB-CD2 4.06Å; D1031-F1037 HydrophobicContact CB-CE2 3.44Å; D1031-F1037 VanDerWaalsContact CB-CE2 3.44Å; D1031-F1037 HydrophobicContact CB-CZ 4.15Å; I1032-F1037 HydrophobicContact CG1-CD2 3.89Å; I1032-F1037 HydrophobicContact CG1-CE2 4.37Å; F1037-H1040 HydrophobicContact CB-CB 4.2Å; F1037-H1040 HydrophobicContact CD2-CB 4.47Å; F1037-H1040 HydrophobicContact CG-CB 4.26Å; F1037-L1076 VanDerWaalsContact O-CD2 3.29Å; F1037-L1076 WeakPolarHBondContact O-CD2 3.4Å
1038	V	92.8	Very high	92.9	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	-42.7	168.1	178.7	0	0	0	0	110	T1050 L1052 I1055 L1069 L1077	V1038-T1050 PolarHBondContact N-O 2.92Å; V1038-L1052 HydrophobicContact CG2-CB 4.47Å; V1038-L1052 HydrophobicContact CG2-CD2 3.43Å; V1038-L1052 VanDerWaalsContact CG2-CD2 3.43Å; V1038-L1052 HydrophobicContact CG2-CG 3.62Å; V1038-I1055 HydrophobicContact CG2-CD1 3.87Å; V1038-L1069 HydrophobicContact CG1-CD1 4Å; V1038-L1077 HydrophobicContact CG1-CB 4.08Å; V1038-L1077 HydrophobicContact CG1-CD1 4.25Å; V1038-L1077 HydrophobicContact CG2-CD1 4.14Å
1039	E	93.1	Very high	92.7	Very high	14 Å²	14	61.2 Å²	61.2	7%	0.065	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	133.5	-177.8	-177.4	166.8	110.9	0	0	108.5	Y943 G1049 T1050 L1069 H1070 S1073	Y943-E1039 HydrophobicContact CD1-CG 3.7Å; Y943-E1039 HydrophobicContact CE1-CG 4.36Å; Y943-E1039 HydrophobicContact CG-CG 4.15Å; E1039-G1049 CarbonylContact O-C 3.59Å; E1039-G1049 WeakPolarHBondContact O-CA 3.19Å; E1039-T1050 PolarHBondContact O-N 2.86Å; E1039-L1069 HydrophobicContact CB-CD2 3.9Å; E1039-L1069 HydrophobicContact CG-CD2 4.42Å; E1039-H1070 WeakPolarHBondContact OE2-CB 3.34Å; E1039-H1070 PolarHBondContact OE2-N 3.42Å; E1039-S1073 WeakPolarHBondContact OE2-CB 3.27Å; E1039-S1073 PolarHBondContact OE2-OG 3.09Å
1040	H	93.1	Very high	92.7	Very high	14 Å²	14	58.9 Å²	58.9	7%	0.065	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	151.5	173.6	66.2	87.9	0	0	0	111.6	Y943 A944 T946 F1028 I1032 F1037 Y1048	Y943-H1040 CarbonylContact C-O 3.49Å; Y943-H1040 VanDerWaalsContact CA-O 3.27Å; Y943-H1040 WeakPolarHBondContact CA-O 3.4Å; A944-H1040 PolarHBondContact N-O 2.89Å; A944-H1040 PolarHBondContact O-CD2 2.89Å; A944-H1040 VanDerWaalsContact O-CD2 3.26Å; A944-H1040 PolarHBondContact O-CE1 3.14Å; A944-H1040 PolarHBondContact O-NE2 3.23Å; T946-H1040 WeakPolarHBondContact CG2-NE2 3.49Å; F1028-H1040 HydrophobicContact CE1-CB 3.83Å; F1028-H1040 HydrophobicContact CZ-CB 4.05Å; I1032-H1040 WeakPolarHBondContact CD1-ND1 3.37Å; F1037-H1040 HydrophobicContact CB-CB 4.2Å; F1037-H1040 HydrophobicContact CD2-CB 4.47Å; F1037-H1040 HydrophobicContact CG-CB 4.26Å; H1040-Y1048 CarbonylContact C-O 3.55Å; H1040-Y1048 VanDerWaalsContact CA-O 3.28Å; H1040-Y1048 WeakPolarHBondContact CA-O 3.19Å
1041	G	92.3	Very high	92.7	Very high	6 Å²	6	56.8 Å²	56.8	6%	0.062	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	167.5	178.8	0	0	0	0	0	112.4	L942 Y1047 Y1048	L942-G1041 WeakPolarHBondContact O-CA 3.36Å; G1041-Y1047 WeakPolarHBondContact O-CA 3.42Å; G1041-Y1048 PolarHBondContact N-O 3.23Å; G1041-Y1048 PolarHBondContact O-N 3.4Å
1042	E	92.4	Very high	92.6	Very high	79 Å²	79	57.3 Å²	57.3	37%	0.369	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.5	176.9	-167.5	165.8	-168.2	0	0	110.9	R1025 K1045 A1046 Y1047	R1025-E1042 IonicContact CZ-OE1 3.22Å; R1025-E1042 VanDerWaalsContact CZ-OE1 3.31Å; R1025-E1042 IonicContact NH1-OE1 3.88Å; R1025-E1042 PolarHBondContact NH1-OE1 3.08Å; R1025-E1042 IonicContact NH2-OE1 3.03Å; R1025-E1042 PolarHBondContact NH2-OE1 2.75Å; R1025-E1042 IonicContact NH2-OE2 2.79Å; R1025-E1042 PolarHBondContact NH2-OE2 3.09Å; E1042-K1045 WeakPolarHBondContact OE1-CA 3.37Å; E1042-A1046 WeakPolarHBondContact CA-O 3.39Å; E1042-Y1047 HydrophobicContact CB-CD1 3.84Å; E1042-Y1047 HydrophobicContact CB-CE1 3.8Å; E1042-Y1047 HydrophobicContact CG-CD1 4.18Å; E1042-Y1047 HydrophobicContact CG-CE1 4.12Å
1043	Y	90	Very high	92.7	Very high	131 Å²	131	61.8 Å²	61.8	51%	0.514	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	134.2	178.5	-177.7	-101.3	0	0	0	109.3	K1045 A1046 Y1048	Y1043-K1045 PolarHBondContact O-N 2.86Å; Y1043-K1045 VanDerWaalsContact O-N 3.07Å; Y1043-A1046 PolarHBondContact N-O 3.41Å; Y1043-A1046 PolarHBondContact O-N 3.46Å; Y1043-Y1048 HydrophobicContact CD1-CE2 4.23Å
1044	E	91.3	Very high	92.8	Very high	128 Å²	128	54.9 Å²	54.9	60%	0.598	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	29.9	-174.3	-65.2	-176.6	146.2	0	0	114.8	R1011 A1046	R1011-E1044 IonicContact NH2-OE2 2.68Å; E1044-A1046 PolarHBondContact O-N 3.39Å
1045	K	91.3	Very high	93	Very high	183 Å²	183	52.1 Å²	52.1	80%	0.796	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	12.8	-174.2	-46	171.4	-175.6	171.1	0	115.2	R1025 E1042 Y1043	R1025-K1045 PolarHBondContact NH1-O 3.5Å; E1042-K1045 WeakPolarHBondContact OE1-CA 3.37Å; Y1043-K1045 PolarHBondContact O-N 2.86Å; Y1043-K1045 VanDerWaalsContact O-N 3.07Å
1046	A	93.8	Very high	93.2	Very high	9 Å²	9	49.1 Å²	49.1	7%	0.074	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	145.2	169.3	0	0	0	0	0	110.3	R1008 E1042 Y1043 E1044 Y1048	R1008-A1046 HydrophobicContact CB-CB 3.8Å; E1042-A1046 WeakPolarHBondContact CA-O 3.39Å; Y1043-A1046 PolarHBondContact N-O 3.41Å; Y1043-A1046 PolarHBondContact O-N 3.46Å; E1044-A1046 PolarHBondContact O-N 3.39Å; A1046-Y1048 HydrophobicContact CB-CE2 3.98Å
1047	Y	95.3	Very high	93.4	Very high	39 Å²	39	47.7 Å²	47.7	15%	0.153	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	148.5	169.9	-69.1	-56.3	0	0	0	111.5	T1006 S1007 R1025 F1028 E1029 G1041 E1042	T1006-Y1047 CarbonylContact C-O 3.59Å; T1006-Y1047 WeakPolarHBondContact CA-O 3.36Å; T1006-Y1047 PolarHBondContact OG1-O 2.92Å; S1007-Y1047 PolarHBondContact N-O 3.27Å; S1007-Y1047 PolarHBondContact OG-N 3.04Å; R1025-Y1047 HydrophobicContact CG-CD2 3.95Å; R1025-Y1047 HydrophobicContact CG-CE2 3.86Å; R1025-Y1047 VanDerWaalsContact CZ-CE2 3.49Å; R1025-Y1047 PolarHBondContact NH2-OH 3.34Å; F1028-Y1047 HydrophobicContact CB-CD2 4.28Å; F1028-Y1047 AromaticContact CD1-CD2 3.94Å; F1028-Y1047 HydrophobicContact CD1-CD2 3.94Å; F1028-Y1047 AromaticContact CD1-CG 3.85Å; F1028-Y1047 HydrophobicContact CD1-CG 3.85Å; F1028-Y1047 HydrophobicContact CE1-CG 4.13Å; F1028-Y1047 HydrophobicContact CG-CD2 4.15Å; F1028-Y1047 HydrophobicContact CG-CG 4.23Å; E1029-Y1047 HydrophobicContact CG-CD2 4.49Å; E1029-Y1047 HydrophobicContact CG-CE2 3.73Å; E1029-Y1047 WeakPolarHBondContact OE1-CE2 3.48Å; G1041-Y1047 WeakPolarHBondContact O-CA 3.42Å; E1042-Y1047 HydrophobicContact CB-CD1 3.84Å; E1042-Y1047 HydrophobicContact CB-CE1 3.8Å; E1042-Y1047 HydrophobicContact CG-CD1 4.18Å; E1042-Y1047 HydrophobicContact CG-CE1 4.12Å
1048	Y	95	Very high	93.4	Very high	40 Å²	40	48.1 Å²	48.1	16%	0.157	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.9	170.2	-64.3	-91.2	0	0	0	108.5	H1005 T1006 R1008 Y1020 H1040 G1041 Y1043 A1046	H1005-Y1048 WeakPolarHBondContact O-CA 3.29Å; T1006-Y1048 WeakPolarHBondContact OG1-CD1 3.47Å; T1006-Y1048 WeakPolarHBondContact OG1-CE1 3.48Å; R1008-Y1048 VanDerWaalsContact CD-OH 3.27Å; R1008-Y1048 WeakPolarHBondContact CD-OH 3.49Å; R1008-Y1048 PolarHBondContact NE-OH 3.12Å; Y1020-Y1048 HydrophobicContact CD1-CD1 4.32Å; Y1020-Y1048 HydrophobicContact CD1-CE1 4.49Å; Y1020-Y1048 AromaticContact CE1-CD1 3.71Å; Y1020-Y1048 HydrophobicContact CE1-CD1 3.71Å; Y1020-Y1048 AromaticContact CE1-CE1 3.86Å; Y1020-Y1048 HydrophobicContact CE1-CE1 3.86Å; H1040-Y1048 CarbonylContact C-O 3.55Å; H1040-Y1048 VanDerWaalsContact CA-O 3.28Å; H1040-Y1048 WeakPolarHBondContact CA-O 3.19Å; G1041-Y1048 PolarHBondContact N-O 3.23Å; G1041-Y1048 PolarHBondContact O-N 3.4Å; Y1043-Y1048 HydrophobicContact CD1-CE2 4.23Å; A1046-Y1048 HydrophobicContact CB-CE2 3.98Å
1049	G	94.1	Very high	93.4	Very high	7 Å²	7	48.7 Å²	48.7	7%	0.072	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	160.8	177.1	0	0	0	0	0	114.7	P1004 H1005 E1039	P1004-G1049 CarbonylContact C-O 3.59Å; P1004-G1049 WeakPolarHBondContact CA-O 3.21Å; H1005-G1049 PolarHBondContact N-O 3.36Å; H1005-G1049 PolarHBondContact O-N 2.86Å; H1005-G1049 VanDerWaalsContact O-N 3.08Å; E1039-G1049 CarbonylContact O-C 3.59Å; E1039-G1049 WeakPolarHBondContact O-CA 3.19Å
1050	T	94.8	Very high	93.4	Very high	24 Å²	24	51.8 Å²	51.8	15%	0.147	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.6	-179.9	-53.4	0	0	0	0	109.1	A1002 V1038 E1039 I1055 L1067	A1002-T1050 HydrophobicContact CB-CG2 3.93Å; V1038-T1050 PolarHBondContact N-O 2.92Å; E1039-T1050 PolarHBondContact O-N 2.86Å; T1050-I1055 HydrophobicContact CG2-CD1 4.18Å; T1050-I1055 HydrophobicContact CG2-CG1 3.99Å; T1050-L1067 HydrophobicContact CG2-CD2 4.38Å
1051	S	94.4	Very high	93.4	Very high	5 Å²	5	54.5 Å²	54.5	4%	0.035	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	153.3	177.8	63.8	0	0	0	0	111.4	H1005 R1036 E1053 A1054 I1055	H1005-S1051 PolarHBondContact CE1-OG 2.88Å; R1036-S1051 VanDerWaalsContact O-CA 3.22Å; R1036-S1051 WeakPolarHBondContact O-CA 3.23Å; R1036-S1051 WeakPolarHBondContact O-CB 3.37Å; S1051-E1053 PolarHBondContact O-N 3.38Å; S1051-A1054 PolarHBondContact O-N 2.71Å; S1051-A1054 WeakPolarHBondContact OG-CB 3.47Å; S1051-A1054 PolarHBondContact OG-N 2.74Å; S1051-I1055 PolarHBondContact O-N 2.83Å
1052	L	93.1	Very high	93.3	Very high	30 Å²	30	55.6 Å²	55.6	16%	0.157	29%	0.29	C	S	.	.	H	α-helix	trans	-55.1	-40.9	171.1	-77.2	166.4	0	0	0	110.3	R1036 V1038 A1054 I1055 R1056 L1077 L1082	R1036-L1052 PolarHBondContact O-N 3.06Å; V1038-L1052 HydrophobicContact CG2-CB 4.47Å; V1038-L1052 HydrophobicContact CG2-CD2 3.43Å; V1038-L1052 VanDerWaalsContact CG2-CD2 3.43Å; V1038-L1052 HydrophobicContact CG2-CG 3.62Å; L1052-A1054 PolarHBondContact O-N 3.43Å; L1052-I1055 WeakPolarHBondContact O-CB 3.45Å; L1052-I1055 PolarHBondContact O-N 3.4Å; L1052-I1055 VanDerWaalsContact O-N 3.09Å; L1052-R1056 WeakPolarHBondContact O-CG 3.27Å; L1052-R1056 PolarHBondContact O-N 2.85Å; L1052-L1077 HydrophobicContact CD2-CD1 4.25Å; L1052-L1082 HydrophobicContact CD2-CD1 3.73Å
1053	E	93.7	Very high	93.4	Very high	120 Å²	120	55 Å²	55	56%	0.561	29%	0.286	S	S	*	.	H	α-helix	trans	-62.3	-39.1	-179.9	-159	57.7	-140.5	0	0	113.6	S1051 I1055 R1056 T1057	S1051-E1053 PolarHBondContact O-N 3.38Å; E1053-I1055 PolarHBondContact O-N 2.86Å; E1053-R1056 WeakPolarHBondContact O-CB 3.47Å; E1053-R1056 PolarHBondContact O-N 2.78Å; E1053-R1056 WeakPolarHBondContact OE2-CD 3.42Å; E1053-R1056 IonicContact OE2-NE 3.68Å; E1053-T1057 PolarHBondContact O-N 3.33Å; E1053-T1057 PolarHBondContact O-OG1 2.94Å
1054	A	94.8	Very high	93.6	Very high	5 Å²	5	48.9 Å²	48.9	4%	0.041	26%	0.263	C	S	.	.	H	α-helix	trans	-64.4	-27.3	176.1	0	0	0	0	0	112.3	A1002 V1003 S1051 L1052	A1002-A1054 HydrophobicContact CB-CB 4.04Å; A1002-A1054 WeakPolarHBondContact CB-O 3.48Å; V1003-A1054 WeakPolarHBondContact O-CB 3.4Å; S1051-A1054 PolarHBondContact O-N 2.71Å; S1051-A1054 WeakPolarHBondContact OG-CB 3.47Å; S1051-A1054 PolarHBondContact OG-N 2.74Å; L1052-A1054 PolarHBondContact O-N 3.43Å
1055	I	94.9	Very high	93.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-79.6	-43.6	173.7	-53.4	165.7	0	0	0	110.1	P974 A1002 V1038 T1050 S1051 L1052 E1053 T1057 V1058 V1059 C1065 L1067 L1077 L1082	P974-I1055 HydrophobicContact CB-CG2 4.22Å; P974-I1055 HydrophobicContact CG-CG2 3.78Å; A1002-I1055 HydrophobicContact CB-CG1 3.94Å; V1038-I1055 HydrophobicContact CG2-CD1 3.87Å; T1050-I1055 HydrophobicContact CG2-CD1 4.18Å; T1050-I1055 HydrophobicContact CG2-CG1 3.99Å; S1051-I1055 PolarHBondContact O-N 2.83Å; L1052-I1055 WeakPolarHBondContact O-CB 3.45Å; L1052-I1055 PolarHBondContact O-N 3.4Å; L1052-I1055 VanDerWaalsContact O-N 3.09Å; E1053-I1055 PolarHBondContact O-N 2.86Å; I1055-T1057 VanDerWaalsContact C-N 3.3Å; I1055-T1057 PolarHBondContact O-N 3.21Å; I1055-V1058 PolarHBondContact O-N 2.86Å; I1055-V1058 VanDerWaalsContact O-N 3.13Å; I1055-V1059 PolarHBondContact O-N 3.14Å; I1055-C1065 HydrophobicContact CG2-CB 4.32Å; I1055-L1067 HydrophobicContact CD1-CD1 3.64Å; I1055-L1067 HydrophobicContact CG1-CD1 3.91Å; I1055-L1067 HydrophobicContact CG1-CD2 4.27Å; I1055-L1067 HydrophobicContact CG2-CD1 4.16Å; I1055-L1077 HydrophobicContact CD1-CD1 4.01Å; I1055-L1082 HydrophobicContact CB-CD1 3.96Å; I1055-L1082 HydrophobicContact CD1-CD1 4.24Å; I1055-L1082 HydrophobicContact CG2-CD1 3.83Å; I1055-L1082 HydrophobicContact CG2-CD2 4.12Å
1056	R	93.9	Very high	94.1	Very high	75 Å²	75	34.1 Å²	34.1	28%	0.283	20%	0.197	S	C	.	.	H	α-helix	trans	-54.1	-45.9	175.3	-69.6	179.3	-170.7	-62.5	-2.2	112.1	L1052 E1053 V1058 V1059 A1060 D1081 L1082	L1052-R1056 WeakPolarHBondContact O-CG 3.27Å; L1052-R1056 PolarHBondContact O-N 2.85Å; E1053-R1056 WeakPolarHBondContact O-CB 3.47Å; E1053-R1056 PolarHBondContact O-N 2.78Å; E1053-R1056 WeakPolarHBondContact OE2-CD 3.42Å; E1053-R1056 IonicContact OE2-NE 3.68Å; R1056-V1058 VanDerWaalsContact C-N 3.26Å; R1056-V1058 PolarHBondContact O-N 3.19Å; R1056-V1059 PolarHBondContact O-N 3.27Å; R1056-A1060 VanDerWaalsContact O-CB 3.29Å; R1056-A1060 WeakPolarHBondContact O-CB 3.32Å; R1056-A1060 PolarHBondContact O-N 2.9Å; R1056-D1081 IonicContact CZ-OD1 2.69Å; R1056-D1081 VanDerWaalsContact CZ-OD1 3.28Å; R1056-D1081 IonicContact CZ-OD2 3.59Å; R1056-D1081 IonicContact NH1-OD1 2.7Å; R1056-D1081 PolarHBondContact NH1-OD1 3.42Å; R1056-D1081 IonicContact NH1-OD2 2.79Å; R1056-D1081 PolarHBondContact NH1-OD2 2.88Å; R1056-D1081 IonicContact NH2-OD1 2.65Å; R1056-D1081 PolarHBondContact NH2-OD1 3.48Å; R1056-D1081 IonicContact NH2-OD2 3.69Å; R1056-L1082 HydrophobicContact CG-CD2 3.93Å
1057	T	93.8	Very high	94.2	Very high	89 Å²	89	34.1 Å²	34.1	55%	0.546	20%	0.195	S	C	.	.	H	α-helix	trans	-56.9	-39.4	179.1	-56.1	0	0	0	0	111.9	E1053 I1055 S1061	E1053-T1057 PolarHBondContact O-N 3.33Å; E1053-T1057 PolarHBondContact O-OG1 2.94Å; I1055-T1057 VanDerWaalsContact C-N 3.3Å; I1055-T1057 PolarHBondContact O-N 3.21Å; T1057-S1061 PolarHBondContact O-N 2.99Å
1058	V	94.3	Very high	94	Very high	11 Å²	11	34.5 Å²	34.5	7%	0.067	20%	0.2	C	C	.	.	H	α-helix	trans	-71.4	-46	176.7	179	0	0	0	0	111.4	I1055 R1056 A1060 S1061 K1063 C1065	I1055-V1058 PolarHBondContact O-N 2.86Å; I1055-V1058 VanDerWaalsContact O-N 3.13Å; R1056-V1058 VanDerWaalsContact C-N 3.26Å; R1056-V1058 PolarHBondContact O-N 3.19Å; V1058-A1060 VanDerWaalsContact C-N 3.33Å; V1058-A1060 PolarHBondContact O-N 3.44Å; V1058-S1061 WeakPolarHBondContact O-CB 3.3Å; V1058-S1061 PolarHBondContact O-N 3.05Å; V1058-S1061 VanDerWaalsContact O-N 3.1Å; V1058-S1061 PolarHBondContact O-OG 3.05Å; V1058-K1063 HydrophobicContact CG1-CB 4.21Å; V1058-C1065 HydrophobicContact CB-CB 3.9Å; V1058-C1065 HydrophobicContact CG1-CB 3.55Å
1059	V	92.9	Very high	93.9	Very high	13 Å²	13	32.8 Å²	32.8	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-42.5	178.2	176.2	0	0	0	0	111.2	P974 I1055 R1056 S1061 G1062 L1082	P974-V1059 HydrophobicContact CG-CG2 3.86Å; I1055-V1059 PolarHBondContact O-N 3.14Å; R1056-V1059 PolarHBondContact O-N 3.27Å; V1059-S1061 PolarHBondContact O-N 3.11Å; V1059-G1062 PolarHBondContact O-N 3.35Å; V1059-L1082 HydrophobicContact CG2-CD2 4.31Å
1060	A	92.7	Very high	93.7	Very high	80 Å²	80	35 Å²	35	66%	0.661	20%	0.202	S	C	*	.	H	α-helix	trans	-65.7	-22.5	176.8	0	0	0	0	0	113.5	R1056 V1058 G1062	R1056-A1060 VanDerWaalsContact O-CB 3.29Å; R1056-A1060 WeakPolarHBondContact O-CB 3.32Å; R1056-A1060 PolarHBondContact O-N 2.9Å; V1058-A1060 VanDerWaalsContact C-N 3.33Å; V1058-A1060 PolarHBondContact O-N 3.44Å; A1060-G1062 PolarHBondContact O-N 3.43Å
1061	S	92.3	Very high	93.5	Very high	71 Å²	71	33.9 Å²	33.9	50%	0.497	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-0	170.6	79.1	0	0	0	0	113.8	T1057 V1058 V1059 K1063	T1057-S1061 PolarHBondContact O-N 2.99Å; V1058-S1061 WeakPolarHBondContact O-CB 3.3Å; V1058-S1061 PolarHBondContact O-N 3.05Å; V1058-S1061 VanDerWaalsContact O-N 3.1Å; V1058-S1061 PolarHBondContact O-OG 3.05Å; V1059-S1061 PolarHBondContact O-N 3.11Å; S1061-K1063 VanDerWaalsContact C-N 3.26Å; S1061-K1063 PolarHBondContact O-N 3.02Å
1062	G	91.6	Very high	93.2	Very high	28 Å²	28	37.1 Å²	37.1	29%	0.289	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	3.3	-177.9	0	0	0	0	0	114.6	K972 V1059 A1060	K972-G1062 VanDerWaalsContact CG-O 3.22Å; K972-G1062 WeakPolarHBondContact CG-O 3.37Å; V1059-G1062 PolarHBondContact O-N 3.35Å; A1060-G1062 PolarHBondContact O-N 3.43Å
1063	K	93.5	Very high	93.1	Very high	66 Å²	66	35.8 Å²	35.8	29%	0.287	20%	0.203	S	C	.	.			trans	-95	154.7	-176.1	-63.2	-166.6	179	-164	0	113	S996 E997 V1058 S1061 C1065	S996-K1063 PolarHBondContact O-NZ 3.49Å; E997-K1063 WeakPolarHBondContact O-CD 3.48Å; E997-K1063 WeakPolarHBondContact O-CE 3.4Å; E997-K1063 PolarHBondContact O-NZ 2.87Å; V1058-K1063 HydrophobicContact CG1-CB 4.21Å; S1061-K1063 VanDerWaalsContact C-N 3.26Å; S1061-K1063 PolarHBondContact O-N 3.02Å; K1063-C1065 PolarHBondContact O-N 3.46Å
1064	I	95.2	Very high	92.9	Very high	4 Å²	4	30 Å²	30	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	110.8	173.7	-54.6	-179.1	0	0	0	108.8	K972 I975 R998 F999 S1000 V1066 I1151	K972-I1064 HydrophobicContact CB-CG1 3.98Å; K972-I1064 HydrophobicContact CG-CG1 4.06Å; I975-I1064 HydrophobicContact CD1-CG2 4.5Å; I975-I1064 HydrophobicContact CG1-CG2 3.59Å; R998-I1064 HydrophobicContact CG-CD1 3.91Å; R998-I1064 HydrophobicContact CG-CG1 4.36Å; R998-I1064 PolarHBondContact O-N 2.79Å; F999-I1064 WeakPolarHBondContact CA-O 3.26Å; F999-I1064 HydrophobicContact CD1-CB 3.65Å; F999-I1064 HydrophobicContact CD1-CD1 4.22Å; F999-I1064 HydrophobicContact CD1-CG1 4.45Å; F999-I1064 HydrophobicContact CD1-CG2 3.78Å; F999-I1064 HydrophobicContact CE1-CB 4Å; F999-I1064 HydrophobicContact CE1-CD1 3.72Å; F999-I1064 HydrophobicContact CE1-CG1 4.41Å; F999-I1064 HydrophobicContact CE1-CG2 3.9Å; F999-I1064 HydrophobicContact CZ-CD1 4.21Å; S1000-I1064 PolarHBondContact N-O 2.88Å; I1064-V1066 HydrophobicContact CG2-CG2 4.47Å; I1064-V1066 PolarHBondContact O-N 3.48Å; I1064-I1151 HydrophobicContact CD1-CG2 3.59Å
1065	C	96	Very high	92.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	121.1	174.8	-171.4	0	0	0	0	110.6	P974 I975 S1000 I1055 V1058 K1063	P974-C1065 CarbonylContact C-O 3.59Å; P974-C1065 VanDerWaalsContact CA-O 3.28Å; P974-C1065 WeakPolarHBondContact CA-O 3.37Å; P974-C1065 HydrophobicContact CB-CB 4.12Å; P974-C1065 HydrophobicContact CG-CB 4.43Å; I975-C1065 PolarHBondContact N-O 3.3Å; S1000-C1065 CarbonylContact O-C 3.54Å; S1000-C1065 WeakPolarHBondContact O-CA 3.44Å; I1055-C1065 HydrophobicContact CG2-CB 4.32Å; V1058-C1065 HydrophobicContact CB-CB 3.9Å; V1058-C1065 HydrophobicContact CG1-CB 3.55Å; K1063-C1065 PolarHBondContact O-N 3.46Å
1066	V	96.6	Very high	92.3	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.3	178.4	-167.8	0	0	0	0	110.7	I975 L977 R989 L992 M993 F999 S1000 I1064	I975-V1066 WeakPolarHBondContact O-CA 3.38Å; L977-V1066 HydrophobicContact CD1-CG1 4.25Å; L977-V1066 HydrophobicContact CG-CG1 4.41Å; R989-V1066 HydrophobicContact CG-CB 4.5Å; R989-V1066 HydrophobicContact CG-CG1 3.92Å; L992-V1066 HydrophobicContact CB-CG2 4.44Å; L992-V1066 HydrophobicContact CD1-CG1 3.99Å; L992-V1066 HydrophobicContact CD1-CG2 4.3Å; M993-V1066 HydrophobicContact CE-CB 3.68Å; M993-V1066 HydrophobicContact CE-CG2 3.55Å; F999-V1066 HydrophobicContact CB-CG2 4.24Å; F999-V1066 HydrophobicContact CD1-CG2 3.63Å; F999-V1066 HydrophobicContact CE1-CG2 4.49Å; F999-V1066 HydrophobicContact CG-CG2 4.34Å; S1000-V1066 PolarHBondContact O-N 3.04Å; I1064-V1066 HydrophobicContact CG2-CG2 4.47Å; I1064-V1066 PolarHBondContact O-N 3.48Å
1067	L	94.4	Very high	92.2	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140.2	-170.9	-60.3	173.7	0	0	0	111	P974 I975 V976 L977 A1002 T1050 I1055 L1069	P974-L1067 HydrophobicContact CB-CD1 4.3Å; I975-L1067 PolarHBondContact O-N 3.16Å; V976-L1067 HydrophobicContact CG2-CD1 4.45Å; L977-L1067 PolarHBondContact N-O 3.34Å; A1002-L1067 HydrophobicContact CB-CD2 3.8Å; T1050-L1067 HydrophobicContact CG2-CD2 4.38Å; I1055-L1067 HydrophobicContact CD1-CD1 3.64Å; I1055-L1067 HydrophobicContact CG1-CD1 3.91Å; I1055-L1067 HydrophobicContact CG1-CD2 4.27Å; I1055-L1067 HydrophobicContact CG2-CD1 4.16Å; L1067-L1069 HydrophobicContact CB-CD1 4.48Å; L1067-L1069 HydrophobicContact CB-CG 4.25Å; L1067-L1069 HydrophobicContact CD1-CD1 4.43Å
1068	N	93.1	Very high	92.1	Very high	47 Å²	47	29.2 Å²	29.2	25%	0.251	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	111.6	165.3	-74.3	5.6	0	0	0	107.4
1069	L	91.1	Very high	91.8	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	20%	0.197	C	C	.	.			trans	-124.5	174.5	-179	-63.6	178.3	0	0	0	111.5	V976 R985 V1038 E1039 L1067 L1077	V976-L1069 HydrophobicContact CG1-CB 4Å; V976-L1069 HydrophobicContact CG1-CD1 3.88Å; V976-L1069 HydrophobicContact CG1-CG 4.12Å; R985-L1069 PolarHBondContact NH1-O 3.22Å; V1038-L1069 HydrophobicContact CG1-CD1 4Å; E1039-L1069 HydrophobicContact CB-CD2 3.9Å; E1039-L1069 HydrophobicContact CG-CD2 4.42Å; L1067-L1069 HydrophobicContact CB-CD1 4.48Å; L1067-L1069 HydrophobicContact CB-CG 4.25Å; L1067-L1069 HydrophobicContact CD1-CD1 4.43Å; L1069-L1077 HydrophobicContact CD1-CD2 3.86Å
1070	H	90.6	Very high	91.6	Very high	54 Å²	54	32.7 Å²	32.7	25%	0.25	20%	0.197	C	C	.	.			trans	-94.6	147	167.4	-171.4	-100.5	0	0	0	110.8	E1039 Q1072 S1073	E1039-H1070 WeakPolarHBondContact OE2-CB 3.34Å; E1039-H1070 PolarHBondContact OE2-N 3.42Å; H1070-Q1072 VanDerWaalsContact C-N 3.28Å; H1070-Q1072 WeakPolarHBondContact ND1-CB 3.17Å; H1070-Q1072 PolarHBondContact ND1-N 3.34Å; H1070-Q1072 PolarHBondContact O-N 3.03Å; H1070-S1073 WeakPolarHBondContact O-CB 3.42Å; H1070-S1073 PolarHBondContact O-N 3.38Å; H1070-S1073 PolarHBondContact O-OG 2.89Å
1071	P	90	Very high	91.4	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-53.7	-37.8	-179.1	-28.3	33.8	0	0	0	115.4	I978 S1073 L1074 M1123 W1127	I978-P1071 HydrophobicContact CG2-CG 3.74Å; P1071-S1073 PolarHBondContact O-N 3.38Å; P1071-S1073 VanDerWaalsContact O-N 3.13Å; P1071-L1074 WeakPolarHBondContact O-CB 3.33Å; P1071-L1074 WeakPolarHBondContact O-CG 3.35Å; P1071-L1074 PolarHBondContact O-N 3.15Å; P1071-M1123 HydrophobicContact CG-CB 4.46Å; P1071-M1123 HydrophobicContact CG-CE 3.35Å; P1071-M1123 HydrophobicContact CG-CG 4.19Å; P1071-W1127 HydrophobicContact CB-CB 3.92Å; P1071-W1127 HydrophobicContact CB-CD2 3.32Å; P1071-W1127 HydrophobicContact CB-CE3 3.46Å; P1071-W1127 VanDerWaalsContact CB-CE3 3.46Å; P1071-W1127 HydrophobicContact CB-CG 3.54Å; P1071-W1127 HydrophobicContact CB-CZ2 4.43Å; P1071-W1127 HydrophobicContact CB-CZ3 4.09Å; P1071-W1127 HydrophobicContact CG-CD2 4.26Å; P1071-W1127 HydrophobicContact CG-CE3 3.89Å; P1071-W1127 HydrophobicContact CG-CZ3 4.26Å
1072	Q	88.1	Confident	91.3	Very high	74 Å²	74	30.2 Å²	30.2	35%	0.346	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-56.9	-31.3	179.4	-166.4	67	3.9	0	0	112.7	T945 H1070 L1074	T945-Q1072 HydrophobicContact CG2-CB 4.12Å; T945-Q1072 HydrophobicContact CG2-CG 3.77Å; T945-Q1072 WeakPolarHBondContact OG1-CG 3.43Å; H1070-Q1072 VanDerWaalsContact C-N 3.28Å; H1070-Q1072 WeakPolarHBondContact ND1-CB 3.17Å; H1070-Q1072 PolarHBondContact ND1-N 3.34Å; H1070-Q1072 PolarHBondContact O-N 3.03Å; Q1072-L1074 PolarHBondContact O-N 2.99Å
1073	S	90.8	Very high	91.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-72.5	-14.2	179.5	-46.3	0	0	0	0	112.8	E1039 H1070 P1071 L1076 L1077	E1039-S1073 WeakPolarHBondContact OE2-CB 3.27Å; E1039-S1073 PolarHBondContact OE2-OG 3.09Å; H1070-S1073 WeakPolarHBondContact O-CB 3.42Å; H1070-S1073 PolarHBondContact O-N 3.38Å; H1070-S1073 PolarHBondContact O-OG 2.89Å; P1071-S1073 PolarHBondContact O-N 3.38Å; P1071-S1073 VanDerWaalsContact O-N 3.13Å; S1073-L1076 PolarHBondContact O-N 2.91Å; S1073-L1077 PolarHBondContact O-N 3.11Å
1074	L	91.3	Very high	91.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.8	-38.2	178.8	-69.1	179.8	0	0	0	113.5	V976 I978 P1071 Q1072 L1076 L1077 R1078 V1086 L1130 F1131	V976-L1074 HydrophobicContact CG1-CD2 4.27Å; I978-L1074 HydrophobicContact CD1-CD1 3.58Å; I978-L1074 HydrophobicContact CD1-CD2 3.69Å; I978-L1074 HydrophobicContact CD1-CG 3.66Å; P1071-L1074 WeakPolarHBondContact O-CB 3.33Å; P1071-L1074 WeakPolarHBondContact O-CG 3.35Å; P1071-L1074 PolarHBondContact O-N 3.15Å; Q1072-L1074 PolarHBondContact O-N 2.99Å; L1074-L1076 PolarHBondContact O-N 2.92Å; L1074-L1077 PolarHBondContact O-N 3.33Å; L1074-L1077 VanDerWaalsContact O-N 3.15Å; L1074-R1078 WeakPolarHBondContact O-CB 3.4Å; L1074-R1078 WeakPolarHBondContact O-CG 3.3Å; L1074-R1078 PolarHBondContact O-N 3.29Å; L1074-V1086 HydrophobicContact CD1-CG1 3.88Å; L1074-V1086 HydrophobicContact CD2-CB 4.48Å; L1074-V1086 HydrophobicContact CD2-CG1 3.9Å; L1074-V1086 HydrophobicContact CD2-CG2 3.68Å; L1074-L1130 HydrophobicContact CB-CD1 3.89Å; L1074-L1130 HydrophobicContact CD1-CB 3.7Å; L1074-L1130 HydrophobicContact CD1-CD1 4.07Å; L1074-F1131 HydrophobicContact CD1-CD1 4.04Å; L1074-F1131 HydrophobicContact CD1-CE1 3.82Å
1075	K	88.4	Confident	91.5	Very high	83 Å²	83	26.7 Å²	26.7	36%	0.361	14%	0.144	S	C	.	.	H	α-helix	trans	-56.2	-43.6	179.6	-75.9	-156.7	176.4	-159.2	0	110.3	D952 E955 A1079	D952-K1075 IonicContact OD2-NZ 3.79Å; D952-K1075 PolarHBondContact OD2-NZ 3Å; E955-K1075 IonicContact OE2-NZ 3.25Å; E955-K1075 PolarHBondContact OE2-NZ 2.87Å; K1075-A1079 WeakPolarHBondContact O-CB 3.39Å; K1075-A1079 PolarHBondContact O-N 3.36Å
1076	L	88.9	Confident	91.5	Very high	45 Å²	45	26.7 Å²	26.7	24%	0.236	14%	0.144	C	C	.	.	H	α-helix	trans	-72.4	-36	178.1	-176.5	55.6	0	0	0	113	F1037 S1073 L1074	F1037-L1076 VanDerWaalsContact O-CD2 3.29Å; F1037-L1076 WeakPolarHBondContact O-CD2 3.4Å; S1073-L1076 PolarHBondContact O-N 2.91Å; L1074-L1076 PolarHBondContact O-N 2.92Å
1077	L	91.1	Very high	91.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-74.3	-37.8	179	-169.1	63.7	0	0	0	112.9	V976 V1038 L1052 I1055 L1069 S1073 L1074 A1079 S1080 L1082 P1084	V976-L1077 HydrophobicContact CG2-CD2 3.7Å; V1038-L1077 HydrophobicContact CG1-CB 4.08Å; V1038-L1077 HydrophobicContact CG1-CD1 4.25Å; V1038-L1077 HydrophobicContact CG2-CD1 4.14Å; L1052-L1077 HydrophobicContact CD2-CD1 4.25Å; I1055-L1077 HydrophobicContact CD1-CD1 4.01Å; L1069-L1077 HydrophobicContact CD1-CD2 3.86Å; S1073-L1077 PolarHBondContact O-N 3.11Å; L1074-L1077 PolarHBondContact O-N 3.33Å; L1074-L1077 VanDerWaalsContact O-N 3.15Å; L1077-A1079 VanDerWaalsContact C-N 3.3Å; L1077-S1080 WeakPolarHBondContact O-CB 3.35Å; L1077-S1080 PolarHBondContact O-N 3.33Å; L1077-S1080 VanDerWaalsContact O-N 3.13Å; L1077-S1080 PolarHBondContact O-OG 3.49Å; L1077-L1082 HydrophobicContact CD1-CD1 3.79Å; L1077-P1084 HydrophobicContact CD2-CB 3.84Å; L1077-P1084 HydrophobicContact CD2-CG 4.15Å; L1077-P1084 HydrophobicContact CG-CB 4.12Å; L1077-P1084 HydrophobicContact CG-CG 3.96Å
1078	R	90.6	Very high	91.5	Very high	24 Å²	24	26.3 Å²	26.3	9%	0.091	14%	0.142	C	C	.	.	H	α-helix	trans	-70.7	-24.3	174.6	-72.2	-178.2	63.2	118.4	-9	113	E960 L1074 S1080 P1084 W1165	E960-R1078 IonicContact OE1-CZ 2.7Å; E960-R1078 IonicContact OE1-NH2 3.94Å; E960-R1078 PolarHBondContact OE1-NH2 2.77Å; E960-R1078 IonicContact OE2-NH2 3.77Å; E960-R1078 PolarHBondContact OE2-NH2 3.03Å; L1074-R1078 WeakPolarHBondContact O-CB 3.4Å; L1074-R1078 WeakPolarHBondContact O-CG 3.3Å; L1074-R1078 PolarHBondContact O-N 3.29Å; R1078-S1080 PolarHBondContact O-N 3.15Å; R1078-P1084 HydrophobicContact CG-CG 4.16Å; R1078-W1165 HydrophobicContact CB-CZ2 3.92Å; R1078-W1165 HydrophobicContact CG-CH2 4.37Å; R1078-W1165 HydrophobicContact CG-CZ2 3.87Å; R1078-W1165 PolarHBondContact O-NE1 3.47Å
1079	A	88.8	Confident	91.7	Very high	84 Å²	84	24 Å²	24	69%	0.694	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-1.1	169.8	0	0	0	0	0	113.5	K1075 L1077	K1075-A1079 WeakPolarHBondContact O-CB 3.39Å; K1075-A1079 PolarHBondContact O-N 3.36Å; L1077-A1079 VanDerWaalsContact C-N 3.3Å
1080	S	88.6	Confident	91.8	Very high	12 Å²	12	24.3 Å²	24.3	8%	0.084	13%	0.133	C	C	.	.	S	Bend	trans	-104.6	154.2	175.1	78.9	0	0	0	0	112.3	L1077 R1078 L1082	L1077-S1080 WeakPolarHBondContact O-CB 3.35Å; L1077-S1080 PolarHBondContact O-N 3.33Å; L1077-S1080 VanDerWaalsContact O-N 3.13Å; L1077-S1080 PolarHBondContact O-OG 3.49Å; R1078-S1080 PolarHBondContact O-N 3.15Å; S1080-L1082 PolarHBondContact O-N 3.23Å; S1080-L1082 WeakPolarHBondContact OG-CB 3.44Å
1081	D	88.5	Confident	92	Very high	87 Å²	87	22.1 Å²	22.1	47%	0.465	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-2.9	176	61.2	-73.3	0	0	0	114.8	R1056 K1083	R1056-D1081 IonicContact CZ-OD1 2.69Å; R1056-D1081 VanDerWaalsContact CZ-OD1 3.28Å; R1056-D1081 IonicContact CZ-OD2 3.59Å; R1056-D1081 IonicContact NH1-OD1 2.7Å; R1056-D1081 PolarHBondContact NH1-OD1 3.42Å; R1056-D1081 IonicContact NH1-OD2 2.79Å; R1056-D1081 PolarHBondContact NH1-OD2 2.88Å; R1056-D1081 IonicContact NH2-OD1 2.65Å; R1056-D1081 PolarHBondContact NH2-OD1 3.48Å; R1056-D1081 IonicContact NH2-OD2 3.69Å; D1081-K1083 WeakPolarHBondContact O-CG 3.21Å; D1081-K1083 PolarHBondContact O-N 2.85Å; D1081-K1083 PolarHBondContact O-NZ 2.85Å
1082	L	90.4	Very high	92.1	Very high	12 Å²	12	22.3 Å²	22.3	6%	0.063	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.6	179.1	-68.8	171.2	0	0	0	114	P974 L1052 I1055 R1056 V1059 L1077 S1080	P974-L1082 WeakPolarHBondContact CD-O 3.45Å; P974-L1082 HydrophobicContact CG-CB 4.38Å; L1052-L1082 HydrophobicContact CD2-CD1 3.73Å; I1055-L1082 HydrophobicContact CB-CD1 3.96Å; I1055-L1082 HydrophobicContact CD1-CD1 4.24Å; I1055-L1082 HydrophobicContact CG2-CD1 3.83Å; I1055-L1082 HydrophobicContact CG2-CD2 4.12Å; R1056-L1082 HydrophobicContact CG-CD2 3.93Å; V1059-L1082 HydrophobicContact CG2-CD2 4.31Å; L1077-L1082 HydrophobicContact CD1-CD1 3.79Å; S1080-L1082 PolarHBondContact O-N 3.23Å; S1080-L1082 WeakPolarHBondContact OG-CB 3.44Å
1083	K	92.9	Very high	92.3	Very high	19 Å²	19	20.3 Å²	20.3	8%	0.083	12%	0.118	C	C	.	.			trans	51.8	54.9	172.6	-59.4	168.8	-169.6	82.7	0	113	Y965 R973 D1081 W1165 N1169	Y965-K1083 HydrophobicContact CD2-CD 4.11Å; Y965-K1083 HydrophobicContact CE2-CD 3.69Å; R973-K1083 WeakPolarHBondContact CB-O 3.25Å; R973-K1083 VanDerWaalsContact CG-O 3.29Å; R973-K1083 WeakPolarHBondContact CG-O 3.49Å; R973-K1083 PolarHBondContact NE-O 3.26Å; D1081-K1083 WeakPolarHBondContact O-CG 3.21Å; D1081-K1083 PolarHBondContact O-N 2.85Å; D1081-K1083 PolarHBondContact O-NZ 2.85Å; K1083-W1165 HydrophobicContact CB-CD2 4.24Å; K1083-W1165 HydrophobicContact CB-CE3 3.6Å; K1083-W1165 HydrophobicContact CB-CZ3 3.98Å; K1083-W1165 HydrophobicContact CD-CB 4.33Å; K1083-W1165 WeakPolarHBondContact CE-O 3.49Å; K1083-W1165 HydrophobicContact CG-CB 4Å; K1083-W1165 HydrophobicContact CG-CD2 3.92Å; K1083-W1165 HydrophobicContact CG-CE3 3.71Å; K1083-W1165 HydrophobicContact CG-CG 4.06Å; K1083-N1169 PolarHBondContact NZ-OD1 3.22Å
1084	P	94.9	Very high	92.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.129	C	C	.	.			trans	-57.1	156.5	-174.4	29	-38.9	0	0	0	112.4	R973 V976 L1077 R1078 V1086 W1165	R973-P1084 PolarHBondContact NH2-O 2.85Å; V976-P1084 HydrophobicContact CG2-CB 3.88Å; L1077-P1084 HydrophobicContact CD2-CB 3.84Å; L1077-P1084 HydrophobicContact CD2-CG 4.15Å; L1077-P1084 HydrophobicContact CG-CB 4.12Å; L1077-P1084 HydrophobicContact CG-CG 3.96Å; R1078-P1084 HydrophobicContact CG-CG 4.16Å; P1084-V1086 HydrophobicContact CB-CG2 4.35Å; P1084-W1165 HydrophobicContact CG-CH2 4.06Å; P1084-W1165 HydrophobicContact CG-CZ2 4.43Å
1085	Y	95.7	Very high	92.2	Very high	5 Å²	5	26.6 Å²	26.6	2%	0.02	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.3	165.2	-177.9	-85.4	0	0	0	108.6	P974 I975 V976 V1087 D1132 M1133 E1150 L1154	P974-Y1085 PolarHBondContact O-N 2.89Å; I975-Y1085 WeakPolarHBondContact CA-O 3.46Å; I975-Y1085 HydrophobicContact CD1-CD1 4.1Å; I975-Y1085 HydrophobicContact CD1-CG 4.4Å; V976-Y1085 PolarHBondContact N-O 3.24Å; Y1085-V1087 HydrophobicContact CD1-CG2 3.87Å; Y1085-V1087 HydrophobicContact CE1-CG2 3.6Å; Y1085-D1132 HydrophobicContact CD1-CB 4.38Å; Y1085-D1132 HydrophobicContact CD2-CB 3.54Å; Y1085-D1132 HydrophobicContact CE1-CB 4.17Å; Y1085-D1132 HydrophobicContact CE2-CB 3.32Å; Y1085-D1132 HydrophobicContact CG-CB 4.08Å; Y1085-M1133 HydrophobicContact CE1-CB 4.33Å; Y1085-M1133 HydrophobicContact CE1-CE 4.16Å; Y1085-M1133 WeakPolarHBondContact OH-CB 3.3Å; Y1085-E1150 HydrophobicContact CE1-CG 4.13Å; Y1085-E1150 VanDerWaalsContact OH-CD 3.24Å; Y1085-E1150 WeakPolarHBondContact OH-CG 3.46Å; Y1085-E1150 PolarHBondContact OH-OE1 3.45Å; Y1085-L1154 HydrophobicContact CD1-CD1 3.61Å; Y1085-L1154 HydrophobicContact CD2-CD1 3.59Å; Y1085-L1154 HydrophobicContact CD2-CD2 3.71Å; Y1085-L1154 HydrophobicContact CD2-CG 4.31Å; Y1085-L1154 HydrophobicContact CE1-CD1 3.83Å; Y1085-L1154 HydrophobicContact CE2-CD1 3.8Å; Y1085-L1154 HydrophobicContact CE2-CD2 3.44Å; Y1085-L1154 VanDerWaalsContact CE2-CD2 3.44Å; Y1085-L1154 HydrophobicContact CE2-CG 4.22Å; Y1085-L1154 HydrophobicContact CG-CD1 3.48Å; Y1085-L1154 VanDerWaalsContact CG-CD1 3.48Å; Y1085-L1154 HydrophobicContact CG-CD2 4.47Å
1086	V	95.9	Very high	92.3	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.2	-161.1	-176	0	0	0	0	111	V976 I978 L1074 P1084 L1130 F1131 D1132 M1133	V976-V1086 HydrophobicContact CB-CG2 4.39Å; I978-V1086 HydrophobicContact CD1-CG1 3.78Å; L1074-V1086 HydrophobicContact CD1-CG1 3.88Å; L1074-V1086 HydrophobicContact CD2-CB 4.48Å; L1074-V1086 HydrophobicContact CD2-CG1 3.9Å; L1074-V1086 HydrophobicContact CD2-CG2 3.68Å; P1084-V1086 HydrophobicContact CB-CG2 4.35Å; V1086-L1130 WeakPolarHBondContact CB-O 3.06Å; V1086-F1131 HydrophobicContact CG1-CD1 3.7Å; V1086-F1131 HydrophobicContact CG1-CE1 4.45Å; V1086-F1131 HydrophobicContact CG1-CG 4.48Å; V1086-D1132 PolarHBondContact N-OD2 3.15Å; V1086-D1132 PolarHBondContact O-N 3.29Å; V1086-M1133 PolarHBondContact O-N 3.34Å; V1086-M1133 VanDerWaalsContact O-N 3.16Å
1087	V	96.3	Very high	92.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.6	-176.8	-176.2	0	0	0	0	110.9	I975 V976 L977 I978 Y1085 M1133 I1135 L1147	I975-V1087 HydrophobicContact CG2-CG2 4.48Å; V976-V1087 PolarHBondContact O-N 3.42Å; L977-V1087 HydrophobicContact CD2-CB 4.03Å; L977-V1087 HydrophobicContact CD2-CG2 4.48Å; I978-V1087 PolarHBondContact N-O 2.91Å; Y1085-V1087 HydrophobicContact CD1-CG2 3.87Å; Y1085-V1087 HydrophobicContact CE1-CG2 3.6Å; V1087-M1133 CarbonylContact C-O 3.49Å; V1087-M1133 WeakPolarHBondContact CA-O 3.48Å; V1087-M1133 HydrophobicContact CB-CE 4.4Å; V1087-M1133 HydrophobicContact CG1-CE 3.84Å; V1087-M1133 HydrophobicContact CG2-CE 3.62Å; V1087-I1135 HydrophobicContact CG1-CB 4.48Å; V1087-I1135 HydrophobicContact CG1-CD1 3.99Å; V1087-I1135 HydrophobicContact CG1-CG1 3.97Å; V1087-L1147 HydrophobicContact CG1-CD1 4.37Å; V1087-L1147 HydrophobicContact CG2-CD1 3.99Å
1088	L	95.9	Very high	92.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	117	167.2	-178.8	68.8	0	0	0	110	I978 A1090 E1124 F1131 M1133 I1134 I1135	I978-L1088 HydrophobicContact CG2-CD1 4Å; L1088-A1090 HydrophobicContact CD2-CB 4.34Å; L1088-A1090 HydrophobicContact CG-CB 4.39Å; L1088-A1090 PolarHBondContact O-N 3.28Å; L1088-E1124 HydrophobicContact CD2-CB 4.22Å; L1088-F1131 HydrophobicContact CB-CD2 3.67Å; L1088-F1131 HydrophobicContact CB-CE2 3.99Å; L1088-F1131 HydrophobicContact CB-CG 4.27Å; L1088-F1131 HydrophobicContact CD1-CD2 4.48Å; L1088-F1131 HydrophobicContact CD1-CE2 3.91Å; L1088-F1131 HydrophobicContact CD1-CZ 4.34Å; L1088-F1131 HydrophobicContact CD2-CD2 3.94Å; L1088-F1131 HydrophobicContact CD2-CE2 3.77Å; L1088-F1131 HydrophobicContact CG-CD2 4.23Å; L1088-F1131 HydrophobicContact CG-CE2 4.09Å; L1088-M1133 PolarHBondContact N-O 2.96Å; L1088-I1134 HydrophobicContact CB-CG1 4.18Å; L1088-I1134 HydrophobicContact CB-CG2 4.36Å; L1088-I1134 HydrophobicContact CD2-CD1 4.22Å; L1088-I1134 HydrophobicContact CD2-CG1 4.23Å; L1088-I1134 HydrophobicContact CD2-CG2 4.05Å; L1088-I1134 HydrophobicContact CG-CG2 4.41Å; L1088-I1134 CarbonylContact O-C 3.51Å; L1088-I1134 WeakPolarHBondContact O-CA 3.4Å; L1088-I1135 PolarHBondContact O-N 2.98Å
1089	V	96.2	Very high	92	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	89.7	169.1	-174	0	0	0	0	108.2	I978 I983 R985 L988 I1135 N1137	I978-V1089 PolarHBondContact O-N 2.96Å; I983-V1089 HydrophobicContact CG2-CB 4.46Å; I983-V1089 HydrophobicContact CG2-CG1 4.11Å; R985-V1089 HydrophobicContact CG-CB 3.87Å; R985-V1089 HydrophobicContact CG-CG1 4.42Å; R985-V1089 HydrophobicContact CG-CG2 3.82Å; L988-V1089 HydrophobicContact CD1-CG1 3.94Å; L988-V1089 HydrophobicContact CD1-CG2 4Å; V1089-I1135 CarbonylContact C-O 3.58Å; V1089-I1135 WeakPolarHBondContact CA-O 3.32Å; V1089-N1137 HydrophobicContact CG1-CB 3.74Å
1090	A	94.8	Very high	91.8	Very high	10 Å²	10	31.4 Å²	31.4	8%	0.083	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	150	-177	0	0	0	0	0	112.3	L1088 I1134 I1135 I1136 N1137	L1088-A1090 HydrophobicContact CD2-CB 4.34Å; L1088-A1090 HydrophobicContact CG-CB 4.39Å; L1088-A1090 PolarHBondContact O-N 3.28Å; A1090-I1134 HydrophobicContact CB-CG2 3.76Å; A1090-I1135 PolarHBondContact N-O 3.33Å; A1090-I1136 CarbonylContact O-C 3.59Å; A1090-I1136 WeakPolarHBondContact O-CA 3.44Å; A1090-N1137 PolarHBondContact O-N 3.2Å
1091	P	93.4	Very high	91.7	Very high	8 Å²	8	32.2 Å²	32.2	5%	0.052	16%	0.158	C	C	.	.			trans	-78.3	148.5	174.4	31.1	-32.5	0	0	0	112.6	I983 L1097 I1116 I1117 A1120	I983-P1091 HydrophobicContact CD1-CB 3.76Å; I983-P1091 HydrophobicContact CG1-CB 4.14Å; P1091-L1097 HydrophobicContact CB-CD2 4.34Å; P1091-I1116 HydrophobicContact CB-CG2 3.92Å; P1091-I1116 HydrophobicContact CG-CG2 4.18Å; P1091-I1117 HydrophobicContact CB-CG1 4.05Å; P1091-I1117 HydrophobicContact CG-CB 4.45Å; P1091-I1117 HydrophobicContact CG-CG1 3.86Å; P1091-A1120 HydrophobicContact CG-CB 3.56Å
1092	P	92.7	Very high	91.6	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.019	17%	0.169	C	C	.	.			trans	-69.8	177.8	167.9	35.8	-38.6	0	0	0	110.7	K1096 L1097 I1136 N1138	P1092-K1096 HydrophobicContact CB-CB 3.84Å; P1092-K1096 HydrophobicContact CB-CD 4.35Å; P1092-K1096 HydrophobicContact CG-CB 4.14Å; P1092-L1097 HydrophobicContact CG-CB 4.14Å; P1092-L1097 HydrophobicContact CG-CD1 4.43Å; P1092-I1136 HydrophobicContact CB-CG2 4Å; P1092-N1138 HydrophobicContact CB-CB 4.12Å
1093	S	92.1	Very high	91.3	Very high	32 Å²	32	41 Å²	41	22%	0.224	19%	0.193	C	C	.	.			trans	-56.7	152.4	173.3	60.7	0	0	0	0	112.3	D1095 K1096 L1097	S1093-D1095 VanDerWaalsContact C-N 3.27Å; S1093-D1095 PolarHBondContact O-N 3.04Å; S1093-D1095 VanDerWaalsContact O-N 3.16Å; S1093-K1096 CarbonylContact O-C 3.57Å; S1093-K1096 WeakPolarHBondContact O-CA 3.2Å; S1093-K1096 WeakPolarHBondContact O-CB 3.45Å; S1093-K1096 PolarHBondContact O-N 3.3Å; S1093-L1097 PolarHBondContact O-N 3.35Å
1094	L	90.8	Very high	90.8	Very high	44 Å²	44	43.7 Å²	43.7	23%	0.23	21%	0.208	C	C	.	.	H	α-helix	trans	-48.8	-45.7	-174.5	-176.9	60.1	0	0	0	112.9	K1096 L1097 R1098 E1110 L1113 K1114 I1117	L1094-K1096 PolarHBondContact O-N 2.94Å; L1094-L1097 PolarHBondContact O-N 3.32Å; L1094-R1098 VanDerWaalsContact O-CG 3.31Å; L1094-R1098 WeakPolarHBondContact O-CG 3.45Å; L1094-R1098 PolarHBondContact O-N 3.43Å; L1094-E1110 WeakPolarHBondContact CD2-OE1 3.36Å; L1094-L1113 HydrophobicContact CD1-CB 3.78Å; L1094-K1114 HydrophobicContact CD1-CG 4.33Å; L1094-K1114 HydrophobicContact CD2-CG 4.49Å; L1094-I1117 HydrophobicContact CB-CD1 3.87Å; L1094-I1117 HydrophobicContact CD1-CD1 4.04Å
1095	D	89.9	Confident	90	Very high	90 Å²	90	46.9 Å²	46.9	48%	0.481	24%	0.241	S	C	.	.	H	α-helix	trans	-65.1	-38.5	178.3	-55.3	-68.2	0	0	0	113.6	S1093 R1098 Q1099	S1093-D1095 VanDerWaalsContact C-N 3.27Å; S1093-D1095 PolarHBondContact O-N 3.04Å; S1093-D1095 VanDerWaalsContact O-N 3.16Å; D1095-R1098 IonicContact OD1-CZ 2.94Å; D1095-R1098 IonicContact OD1-NH1 3.26Å; D1095-R1098 PolarHBondContact OD1-NH1 3.22Å; D1095-Q1099 WeakPolarHBondContact O-CB 3.35Å; D1095-Q1099 VanDerWaalsContact O-CG 3.22Å; D1095-Q1099 WeakPolarHBondContact O-CG 3.31Å; D1095-Q1099 PolarHBondContact O-N 2.93Å
1096	K	89.4	Confident	89.2	Confident	107 Å²	107	50.4 Å²	50.4	47%	0.465	26%	0.258	S	S	.	.	H	α-helix	trans	-69.6	-35.5	174.1	-72.7	178.3	179.4	178	0	111.5	P1092 S1093 L1094 Q1099 K1100 N1138	P1092-K1096 HydrophobicContact CB-CB 3.84Å; P1092-K1096 HydrophobicContact CB-CD 4.35Å; P1092-K1096 HydrophobicContact CG-CB 4.14Å; S1093-K1096 CarbonylContact O-C 3.57Å; S1093-K1096 WeakPolarHBondContact O-CA 3.2Å; S1093-K1096 WeakPolarHBondContact O-CB 3.45Å; S1093-K1096 PolarHBondContact O-N 3.3Å; L1094-K1096 PolarHBondContact O-N 2.94Å; K1096-Q1099 PolarHBondContact O-N 3.45Å; K1096-K1100 WeakPolarHBondContact O-CB 3.31Å; K1096-K1100 PolarHBondContact O-N 3.05Å; K1096-N1138 WeakPolarHBondContact CB-OD1 3.24Å; K1096-N1138 WeakPolarHBondContact CD-OD1 3.46Å
1097	L	88.1	Confident	88.5	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-69	-42.1	176.4	-171.9	57.1	0	0	0	111.6	I983 P1091 P1092 S1093 L1094 K1100 K1101 L1113 I1116 I1117	I983-L1097 HydrophobicContact CD1-CD1 3.95Å; P1091-L1097 HydrophobicContact CB-CD2 4.34Å; P1092-L1097 HydrophobicContact CG-CB 4.14Å; P1092-L1097 HydrophobicContact CG-CD1 4.43Å; S1093-L1097 PolarHBondContact O-N 3.35Å; L1094-L1097 PolarHBondContact O-N 3.32Å; L1097-K1100 PolarHBondContact O-N 3.22Å; L1097-K1101 PolarHBondContact O-N 3.47Å; L1097-L1113 HydrophobicContact CD2-CB 4.08Å; L1097-L1113 HydrophobicContact CD2-CD2 4.09Å; L1097-L1113 HydrophobicContact CD2-CG 4.48Å; L1097-L1113 HydrophobicContact CG-CD1 4.23Å; L1097-L1113 HydrophobicContact CG-CD2 4.06Å; L1097-L1113 HydrophobicContact CG-CG 4.5Å; L1097-I1116 HydrophobicContact CD2-CG2 4Å; L1097-I1117 HydrophobicContact CD2-CD1 4.19Å; L1097-I1117 HydrophobicContact CD2-CG1 4.23Å
1098	R	88.1	Confident	87.9	Confident	80 Å²	80	59.8 Å²	59.8	30%	0.302	31%	0.312	S	S	.	.	H	α-helix	trans	-55.6	-51	168.7	-69.2	168.5	-176.3	161	-6.8	110.9	L1094 D1095 K1100 K1101 L1102 F1108 E1110 L1113	L1094-R1098 VanDerWaalsContact O-CG 3.31Å; L1094-R1098 WeakPolarHBondContact O-CG 3.45Å; L1094-R1098 PolarHBondContact O-N 3.43Å; D1095-R1098 IonicContact OD1-CZ 2.94Å; D1095-R1098 IonicContact OD1-NH1 3.26Å; D1095-R1098 PolarHBondContact OD1-NH1 3.22Å; R1098-K1100 VanDerWaalsContact C-N 3.33Å; R1098-K1100 PolarHBondContact O-N 3.39Å; R1098-K1101 PolarHBondContact O-N 2.82Å; R1098-L1102 WeakPolarHBondContact O-CB 3.45Å; R1098-L1102 PolarHBondContact O-N 3.34Å; R1098-F1108 HydrophobicContact CB-CE2 4.42Å; R1098-F1108 HydrophobicContact CB-CZ 4.24Å; R1098-F1108 HydrophobicContact CG-CE2 4.08Å; R1098-F1108 HydrophobicContact CG-CZ 4.37Å; R1098-E1110 IonicContact CZ-OE1 2.71Å; R1098-E1110 IonicContact CZ-OE2 3.28Å; R1098-E1110 IonicContact NE-OE1 2.79Å; R1098-E1110 IonicContact NE-OE2 2.77Å; R1098-E1110 PolarHBondContact NE-OE2 2.96Å; R1098-E1110 IonicContact NH2-OE1 2.62Å; R1098-E1110 PolarHBondContact NH2-OE1 2.74Å; R1098-E1110 IonicContact NH2-OE2 3.99Å; R1098-E1110 PolarHBondContact NH2-OE2 3.18Å; R1098-L1113 HydrophobicContact CB-CD1 4.3Å; R1098-L1113 HydrophobicContact CG-CD1 3.7Å
1099	Q	88.3	Confident	87.6	Confident	131 Å²	131	65.9 Å²	65.9	61%	0.612	34%	0.338	S	S	*	.	H	α-helix	trans	-59.8	-40.6	177.9	-74.9	170	0.6	0	0	112.2	D1095 K1096 L1102 R1103	D1095-Q1099 WeakPolarHBondContact O-CB 3.35Å; D1095-Q1099 VanDerWaalsContact O-CG 3.22Å; D1095-Q1099 WeakPolarHBondContact O-CG 3.31Å; D1095-Q1099 PolarHBondContact O-N 2.93Å; K1096-Q1099 PolarHBondContact O-N 3.45Å; Q1099-L1102 PolarHBondContact O-N 3.01Å; Q1099-R1103 WeakPolarHBondContact O-CB 3.48Å; Q1099-R1103 PolarHBondContact O-N 3.15Å
1100	K	85.6	Confident	87.2	Confident	15 Å²	15	67.9 Å²	67.9	7%	0.065	35%	0.348	C	S	.	.	H	α-helix	trans	-61.7	-49.3	176	-167.2	-176.2	-170.3	-177.8	0	111.5	K1096 L1097 R1098 R1103 N1104 N1137 N1138 T1140	K1096-K1100 WeakPolarHBondContact O-CB 3.31Å; K1096-K1100 PolarHBondContact O-N 3.05Å; L1097-K1100 PolarHBondContact O-N 3.22Å; R1098-K1100 VanDerWaalsContact C-N 3.33Å; R1098-K1100 PolarHBondContact O-N 3.39Å; K1100-R1103 PolarHBondContact O-N 3.15Å; K1100-N1104 WeakPolarHBondContact O-CB 3.4Å; K1100-N1104 VanDerWaalsContact O-CG 3.24Å; K1100-N1104 PolarHBondContact O-N 3.28Å; K1100-N1104 PolarHBondContact O-OD1 2.68Å; K1100-N1137 PolarHBondContact NZ-ND2 3.36Å; K1100-N1137 PolarHBondContact NZ-O 2.84Å; K1100-N1137 PolarHBondContact NZ-OD1 2.84Å; K1100-N1138 WeakPolarHBondContact CD-O 3.4Å; K1100-N1138 WeakPolarHBondContact CE-O 3.45Å; K1100-T1140 PolarHBondContact NZ-OG1 3.44Å
1101	K	85.8	Confident	87	Confident	29 Å²	29	72.8 Å²	72.8	13%	0.126	37%	0.369	C	S	.	.	H	α-helix	trans	-62.2	-44.9	177.7	-70.7	-60.3	-165.9	-171.7	0	112.1	L1097 R1098 R1103 N1104 G1105 E1106 F1108 L1113	L1097-K1101 PolarHBondContact O-N 3.47Å; R1098-K1101 PolarHBondContact O-N 2.82Å; K1101-R1103 PolarHBondContact O-N 2.67Å; K1101-N1104 CarbonylContact O-C 3.56Å; K1101-N1104 PolarHBondContact O-N 2.86Å; K1101-G1105 PolarHBondContact O-N 3.23Å; K1101-G1105 VanDerWaalsContact O-N 3.11Å; K1101-E1106 HydrophobicContact CD-CB 4.14Å; K1101-E1106 WeakPolarHBondContact CD-OE2 3.36Å; K1101-E1106 WeakPolarHBondContact CE-OE2 3.44Å; K1101-E1106 IonicContact NZ-OE2 3.25Å; K1101-E1106 PolarHBondContact NZ-OE2 2.93Å; K1101-E1106 PolarHBondContact O-N 2.75Å; K1101-E1106 VanDerWaalsContact O-N 3.12Å; K1101-F1108 HydrophobicContact CB-CB 4.22Å; K1101-F1108 HydrophobicContact CB-CD1 3.42Å; K1101-F1108 VanDerWaalsContact CB-CD1 3.42Å; K1101-F1108 HydrophobicContact CB-CE1 3.94Å; K1101-F1108 HydrophobicContact CB-CG 3.96Å; K1101-F1108 HydrophobicContact CG-CB 4.13Å; K1101-F1108 HydrophobicContact CG-CD1 4.24Å; K1101-F1108 HydrophobicContact CG-CG 4.28Å; K1101-L1113 HydrophobicContact CG-CD2 4.14Å
1102	L	86.1	Confident	86.8	Confident	134 Å²	134	76.3 Å²	76.3	70%	0.702	38%	0.384	S	S	*	.	H	α-helix	trans	-63.6	-41.3	178.3	-163	71.9	0	0	0	112.3	R1098 Q1099 N1104 G1105 F1108	R1098-L1102 WeakPolarHBondContact O-CB 3.45Å; R1098-L1102 PolarHBondContact O-N 3.34Å; Q1099-L1102 PolarHBondContact O-N 3.01Å; L1102-N1104 VanDerWaalsContact C-N 3.32Å; L1102-N1104 PolarHBondContact O-N 3.18Å; L1102-G1105 PolarHBondContact O-N 3.41Å; L1102-F1108 HydrophobicContact CB-CE1 4.48Å; L1102-F1108 HydrophobicContact CD1-CE1 4.48Å
1103	R	84.7	Confident	86.7	Confident	150 Å²	150	76.2 Å²	76.2	57%	0.566	38%	0.384	S	S	*	.	H	α-helix	trans	-63.3	-36.2	173.9	-176.2	-178.2	72.6	166.7	7.2	112.4	Q1099 K1100 K1101 G1105 D1139	Q1099-R1103 WeakPolarHBondContact O-CB 3.48Å; Q1099-R1103 PolarHBondContact O-N 3.15Å; K1100-R1103 PolarHBondContact O-N 3.15Å; K1101-R1103 PolarHBondContact O-N 2.67Å; R1103-G1105 VanDerWaalsContact C-N 3.27Å; R1103-G1105 PolarHBondContact O-N 3.35Å; R1103-D1139 IonicContact CZ-OD2 3.92Å; R1103-D1139 VanDerWaalsContact CZ-OD2 3.26Å; R1103-D1139 IonicContact NH1-OD2 3.43Å; R1103-D1139 PolarHBondContact NH1-OD2 3.42Å; R1103-D1139 IonicContact NH2-OD2 2.85Å; R1103-D1139 PolarHBondContact NH2-OD2 3.5Å
1104	N	81.6	Confident	86.6	Confident	75 Å²	75	79.2 Å²	79.2	40%	0.401	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-6.1	178	-70.8	19.3	0	0	0	113.2	K1100 K1101 L1102 E1106	K1100-N1104 WeakPolarHBondContact O-CB 3.4Å; K1100-N1104 VanDerWaalsContact O-CG 3.24Å; K1100-N1104 PolarHBondContact O-N 3.28Å; K1100-N1104 PolarHBondContact O-OD1 2.68Å; K1101-N1104 CarbonylContact O-C 3.56Å; K1101-N1104 PolarHBondContact O-N 2.86Å; L1102-N1104 VanDerWaalsContact C-N 3.32Å; L1102-N1104 PolarHBondContact O-N 3.18Å; N1104-E1106 HydrophobicContact CB-CG 4.15Å; N1104-E1106 PolarHBondContact O-N 3.35Å
1105	G	79.1	Confident	86.7	Confident	66 Å²	66	80.6 Å²	80.6	68%	0.68	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	12.4	-176.6	0	0	0	0	0	114.6	K1101 L1102 R1103	K1101-G1105 PolarHBondContact O-N 3.23Å; K1101-G1105 VanDerWaalsContact O-N 3.11Å; L1102-G1105 PolarHBondContact O-N 3.41Å; R1103-G1105 VanDerWaalsContact C-N 3.27Å; R1103-G1105 PolarHBondContact O-N 3.35Å
1106	E	79.7	Confident	86.7	Confident	80 Å²	80	76.7 Å²	76.7	37%	0.374	38%	0.38	S	S	.	.			trans	-82.5	131.1	-177.7	-68.5	-174.9	144.8	0	0	111.1	K1101 N1104 F1108	K1101-E1106 HydrophobicContact CD-CB 4.14Å; K1101-E1106 WeakPolarHBondContact CD-OE2 3.36Å; K1101-E1106 WeakPolarHBondContact CE-OE2 3.44Å; K1101-E1106 IonicContact NZ-OE2 3.25Å; K1101-E1106 PolarHBondContact NZ-OE2 2.93Å; K1101-E1106 PolarHBondContact O-N 2.75Å; K1101-E1106 VanDerWaalsContact O-N 3.12Å; N1104-E1106 HydrophobicContact CB-CG 4.15Å; N1104-E1106 PolarHBondContact O-N 3.35Å; E1106-F1108 PolarHBondContact O-N 3.38Å
1107	P	80.4	Confident	86.9	Confident	131 Å²	131	72.7 Å²	72.7	85%	0.851	36%	0.363	S	S	*	.			trans	-66.3	133.8	168.9	29.2	-33.5	0	0	0	109.7
1108	F	84.4	Confident	87.1	Confident	67 Å²	67	75.2 Å²	75.2	29%	0.294	38%	0.384	S	S	.	.			trans	-136.3	146.9	178.7	65.6	-88.5	0	0	0	110.3	R1098 K1101 L1102 E1106 L1113	R1098-F1108 HydrophobicContact CB-CE2 4.42Å; R1098-F1108 HydrophobicContact CB-CZ 4.24Å; R1098-F1108 HydrophobicContact CG-CE2 4.08Å; R1098-F1108 HydrophobicContact CG-CZ 4.37Å; K1101-F1108 HydrophobicContact CB-CB 4.22Å; K1101-F1108 HydrophobicContact CB-CD1 3.42Å; K1101-F1108 VanDerWaalsContact CB-CD1 3.42Å; K1101-F1108 HydrophobicContact CB-CE1 3.94Å; K1101-F1108 HydrophobicContact CB-CG 3.96Å; K1101-F1108 HydrophobicContact CG-CB 4.13Å; K1101-F1108 HydrophobicContact CG-CD1 4.24Å; K1101-F1108 HydrophobicContact CG-CG 4.28Å; L1102-F1108 HydrophobicContact CB-CE1 4.48Å; L1102-F1108 HydrophobicContact CD1-CE1 4.48Å; E1106-F1108 PolarHBondContact O-N 3.38Å; F1108-L1113 HydrophobicContact CB-CD2 4.23Å; F1108-L1113 HydrophobicContact CB-CG 4.5Å; F1108-L1113 HydrophobicContact CD2-CD1 3.46Å; F1108-L1113 VanDerWaalsContact CD2-CD1 3.46Å; F1108-L1113 HydrophobicContact CD2-CD2 4.45Å; F1108-L1113 HydrophobicContact CD2-CG 3.87Å; F1108-L1113 HydrophobicContact CE2-CD1 3.74Å; F1108-L1113 HydrophobicContact CG-CD1 4.16Å; F1108-L1113 HydrophobicContact CG-CG 4.49Å
1109	K	88.3	Confident	87.3	Confident	127 Å²	127	72.8 Å²	72.8	55%	0.552	38%	0.379	S	S	*	.			trans	-92.6	143.9	160.5	-53.2	-169.6	-160.5	80.1	0	109.7	E1111 E1112 L1113	K1109-E1111 PolarHBondContact O-N 3.24Å; K1109-E1112 HydrophobicContact CB-CB 4.45Å; K1109-E1112 HydrophobicContact CB-CG 3.96Å; K1109-E1112 WeakPolarHBondContact CG-OE1 3.31Å; K1109-E1112 PolarHBondContact N-OE2 3.45Å; K1109-E1112 IonicContact NZ-OE1 3.29Å; K1109-E1112 PolarHBondContact NZ-OE1 2.91Å; K1109-E1112 WeakPolarHBondContact O-CB 3.26Å; K1109-E1112 PolarHBondContact O-N 3.32Å; K1109-E1112 VanDerWaalsContact O-N 3.15Å; K1109-L1113 PolarHBondContact O-N 2.97Å
1110	E	87.6	Confident	87.5	Confident	43 Å²	43	66.8 Å²	66.8	20%	0.201	35%	0.351	C	S	.	.	H	α-helix	trans	-60	-34.2	177.2	172.9	57.3	-160.3	0	0	111.8	L1094 R1098 L1113 K1114	L1094-E1110 WeakPolarHBondContact CD2-OE1 3.36Å; R1098-E1110 IonicContact CZ-OE1 2.71Å; R1098-E1110 IonicContact CZ-OE2 3.28Å; R1098-E1110 IonicContact NE-OE1 2.79Å; R1098-E1110 IonicContact NE-OE2 2.77Å; R1098-E1110 PolarHBondContact NE-OE2 2.96Å; R1098-E1110 IonicContact NH2-OE1 2.62Å; R1098-E1110 PolarHBondContact NH2-OE1 2.74Å; R1098-E1110 IonicContact NH2-OE2 3.99Å; R1098-E1110 PolarHBondContact NH2-OE2 3.18Å; E1110-L1113 PolarHBondContact O-N 3.4Å; E1110-K1114 WeakPolarHBondContact O-CG 3.41Å; E1110-K1114 PolarHBondContact O-N 3.4Å; E1110-K1114 VanDerWaalsContact O-N 3.12Å; E1110-K1114 WeakPolarHBondContact OE1-CE 3.45Å; E1110-K1114 IonicContact OE1-NZ 2.66Å
1111	E	90.6	Very high	87.9	Confident	113 Å²	113	71.5 Å²	71.5	53%	0.528	37%	0.369	S	S	.	.	H	α-helix	trans	-67.4	-36.8	176.8	-73.9	51.4	-115.3	0	0	112.2	K1109 L1113 K1114 D1115	K1109-E1111 PolarHBondContact O-N 3.24Å; E1111-L1113 VanDerWaalsContact C-N 3.3Å; E1111-L1113 PolarHBondContact O-N 3.5Å; E1111-K1114 PolarHBondContact O-N 3.35Å; E1111-K1114 IonicContact OE1-NZ 3.66Å; E1111-K1114 PolarHBondContact OE1-NZ 3.47Å; E1111-D1115 WeakPolarHBondContact O-CB 3.5Å; E1111-D1115 PolarHBondContact O-N 2.93Å
1112	E	89.4	Confident	88.2	Confident	81 Å²	81	73.2 Å²	73.2	38%	0.379	38%	0.379	S	S	.	.	H	α-helix	trans	-66.5	-34.3	175.6	-65.5	158.4	180	0	0	111.1	K1109 I1116	K1109-E1112 HydrophobicContact CB-CB 4.45Å; K1109-E1112 HydrophobicContact CB-CG 3.96Å; K1109-E1112 WeakPolarHBondContact CG-OE1 3.31Å; K1109-E1112 PolarHBondContact N-OE2 3.45Å; K1109-E1112 IonicContact NZ-OE1 3.29Å; K1109-E1112 PolarHBondContact NZ-OE1 2.91Å; K1109-E1112 WeakPolarHBondContact O-CB 3.26Å; K1109-E1112 PolarHBondContact O-N 3.32Å; K1109-E1112 VanDerWaalsContact O-N 3.15Å; E1112-I1116 WeakPolarHBondContact O-CB 3.35Å; E1112-I1116 VanDerWaalsContact O-CG1 3.27Å; E1112-I1116 WeakPolarHBondContact O-CG1 3.34Å; E1112-I1116 PolarHBondContact O-N 2.9Å
1113	L	89.9	Confident	88.4	Confident	2 Å²	2	67 Å²	67	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-72.3	-36.6	176.4	-57.4	-163	0	0	0	112.2	L1094 L1097 R1098 K1101 F1108 K1109 E1110 E1111 I1117	L1094-L1113 HydrophobicContact CD1-CB 3.78Å; L1097-L1113 HydrophobicContact CD2-CB 4.08Å; L1097-L1113 HydrophobicContact CD2-CD2 4.09Å; L1097-L1113 HydrophobicContact CD2-CG 4.48Å; L1097-L1113 HydrophobicContact CG-CD1 4.23Å; L1097-L1113 HydrophobicContact CG-CD2 4.06Å; L1097-L1113 HydrophobicContact CG-CG 4.5Å; R1098-L1113 HydrophobicContact CB-CD1 4.3Å; R1098-L1113 HydrophobicContact CG-CD1 3.7Å; K1101-L1113 HydrophobicContact CG-CD2 4.14Å; F1108-L1113 HydrophobicContact CB-CD2 4.23Å; F1108-L1113 HydrophobicContact CB-CG 4.5Å; F1108-L1113 HydrophobicContact CD2-CD1 3.46Å; F1108-L1113 VanDerWaalsContact CD2-CD1 3.46Å; F1108-L1113 HydrophobicContact CD2-CD2 4.45Å; F1108-L1113 HydrophobicContact CD2-CG 3.87Å; F1108-L1113 HydrophobicContact CE2-CD1 3.74Å; F1108-L1113 HydrophobicContact CG-CD1 4.16Å; F1108-L1113 HydrophobicContact CG-CG 4.49Å; K1109-L1113 PolarHBondContact O-N 2.97Å; E1110-L1113 PolarHBondContact O-N 3.4Å; E1111-L1113 VanDerWaalsContact C-N 3.3Å; E1111-L1113 PolarHBondContact O-N 3.5Å; L1113-I1117 WeakPolarHBondContact O-CG1 3.49Å; L1113-I1117 PolarHBondContact O-N 3.49Å
1114	K	91.1	Very high	88.7	Confident	95 Å²	95	63.6 Å²	63.6	41%	0.413	34%	0.337	S	S	.	.	H	α-helix	trans	-65	-43.6	171.9	-67	165.8	-168.9	159.1	0	111.2	L1094 E1110 E1111 I1117 A1118	L1094-K1114 HydrophobicContact CD1-CG 4.33Å; L1094-K1114 HydrophobicContact CD2-CG 4.49Å; E1110-K1114 WeakPolarHBondContact O-CG 3.41Å; E1110-K1114 PolarHBondContact O-N 3.4Å; E1110-K1114 VanDerWaalsContact O-N 3.12Å; E1110-K1114 WeakPolarHBondContact OE1-CE 3.45Å; E1110-K1114 IonicContact OE1-NZ 2.66Å; E1111-K1114 PolarHBondContact O-N 3.35Å; E1111-K1114 IonicContact OE1-NZ 3.66Å; E1111-K1114 PolarHBondContact OE1-NZ 3.47Å; K1114-I1117 PolarHBondContact O-N 3.1Å; K1114-A1118 WeakPolarHBondContact O-CB 3.02Å; K1114-A1118 PolarHBondContact O-N 3.12Å
1115	D	92	Very high	89	Confident	72 Å²	72	63.3 Å²	63.3	39%	0.385	35%	0.345	S	S	.	.	H	α-helix	trans	-63.2	-42.9	178.6	-178.3	51.5	0	0	0	112.2	E1111 I1117 A1118 T1119	E1111-D1115 WeakPolarHBondContact O-CB 3.5Å; E1111-D1115 PolarHBondContact O-N 2.93Å; D1115-I1117 VanDerWaalsContact C-N 3.3Å; D1115-I1117 PolarHBondContact O-N 3.4Å; D1115-A1118 PolarHBondContact O-N 3.46Å; D1115-T1119 WeakPolarHBondContact O-CB 3.3Å; D1115-T1119 PolarHBondContact O-N 2.92Å; D1115-T1119 PolarHBondContact O-OG1 2.98Å
1116	I	91.4	Very high	89.4	Confident	9 Å²	9	66.2 Å²	66.2	5%	0.046	34%	0.335	C	S	.	.	H	α-helix	trans	-56.3	-42.6	172	-76.4	167	0	0	0	111.7	P980 N982 I983 P1091 L1097 E1112 A1120	P980-I1116 HydrophobicContact CB-CB 4.35Å; P980-I1116 HydrophobicContact CB-CG1 4.35Å; P980-I1116 HydrophobicContact CB-CG2 3.95Å; P980-I1116 HydrophobicContact CG-CG2 4.19Å; P980-I1116 WeakPolarHBondContact CG-O 3.45Å; N982-I1116 HydrophobicContact CB-CD1 4.42Å; I983-I1116 HydrophobicContact CD1-CG2 4.27Å; P1091-I1116 HydrophobicContact CB-CG2 3.92Å; P1091-I1116 HydrophobicContact CG-CG2 4.18Å; L1097-I1116 HydrophobicContact CD2-CG2 4Å; E1112-I1116 WeakPolarHBondContact O-CB 3.35Å; E1112-I1116 VanDerWaalsContact O-CG1 3.27Å; E1112-I1116 WeakPolarHBondContact O-CG1 3.34Å; E1112-I1116 PolarHBondContact O-N 2.9Å; I1116-A1120 WeakPolarHBondContact O-CB 3.23Å; I1116-A1120 PolarHBondContact O-N 3.22Å
1117	I	92.4	Very high	89.9	Confident	23 Å²	23	63.4 Å²	63.4	12%	0.118	32%	0.321	C	S	.	.	H	α-helix	trans	-74.2	-38.3	179.7	-68	168.6	0	0	0	111.9	P1091 L1094 L1097 L1113 K1114 D1115 A1120 R1121	P1091-I1117 HydrophobicContact CB-CG1 4.05Å; P1091-I1117 HydrophobicContact CG-CB 4.45Å; P1091-I1117 HydrophobicContact CG-CG1 3.86Å; L1094-I1117 HydrophobicContact CB-CD1 3.87Å; L1094-I1117 HydrophobicContact CD1-CD1 4.04Å; L1097-I1117 HydrophobicContact CD2-CD1 4.19Å; L1097-I1117 HydrophobicContact CD2-CG1 4.23Å; L1113-I1117 WeakPolarHBondContact O-CG1 3.49Å; L1113-I1117 PolarHBondContact O-N 3.49Å; K1114-I1117 PolarHBondContact O-N 3.1Å; D1115-I1117 VanDerWaalsContact C-N 3.3Å; D1115-I1117 PolarHBondContact O-N 3.4Å; I1117-A1120 PolarHBondContact O-N 3Å; I1117-R1121 WeakPolarHBondContact O-CG 3.46Å; I1117-R1121 PolarHBondContact O-N 3.06Å
1118	A	93.2	Very high	90.2	Very high	56 Å²	56	57.8 Å²	57.8	46%	0.463	29%	0.288	S	S	.	.	H	α-helix	trans	-64.7	-48.8	175.5	0	0	0	0	0	111.1	K1114 D1115 A1120 R1121 D1122	K1114-A1118 WeakPolarHBondContact O-CB 3.02Å; K1114-A1118 PolarHBondContact O-N 3.12Å; D1115-A1118 PolarHBondContact O-N 3.46Å; A1118-A1120 VanDerWaalsContact C-N 3.32Å; A1118-A1120 PolarHBondContact O-N 3.14Å; A1118-R1121 PolarHBondContact O-N 2.81Å; A1118-D1122 WeakPolarHBondContact O-CB 3.45Å; A1118-D1122 PolarHBondContact O-N 3.44Å
1119	T	92.4	Very high	90.4	Very high	30 Å²	30	55.9 Å²	55.9	18%	0.184	28%	0.279	C	S	.	.	H	α-helix	trans	-55.8	-44.3	174.4	-66.1	0	0	0	0	111.3	P980 D1115 R1121 D1122 M1123	P980-T1119 HydrophobicContact CB-CG2 4.24Å; P980-T1119 HydrophobicContact CG-CG2 4.22Å; D1115-T1119 WeakPolarHBondContact O-CB 3.3Å; D1115-T1119 PolarHBondContact O-N 2.92Å; D1115-T1119 PolarHBondContact O-OG1 2.98Å; T1119-R1121 PolarHBondContact O-N 3.24Å; T1119-D1122 PolarHBondContact O-N 3.27Å; T1119-M1123 HydrophobicContact CG2-CG 4.34Å; T1119-M1123 HydrophobicContact CG2-SD 3.69Å; T1119-M1123 WeakPolarHBondContact O-CB 3.28Å; T1119-M1123 WeakPolarHBondContact O-CG 3.21Å; T1119-M1123 PolarHBondContact O-N 2.77Å
1120	A	92.9	Very high	90.5	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.033	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-46.8	178.3	0	0	0	0	0	113.1	P980 P1091 I1116 I1117 A1118 M1123 E1124	P980-A1120 HydrophobicContact CG-CB 3.7Å; P1091-A1120 HydrophobicContact CG-CB 3.56Å; I1116-A1120 WeakPolarHBondContact O-CB 3.23Å; I1116-A1120 PolarHBondContact O-N 3.22Å; I1117-A1120 PolarHBondContact O-N 3Å; A1118-A1120 VanDerWaalsContact C-N 3.32Å; A1118-A1120 PolarHBondContact O-N 3.14Å; A1120-M1123 PolarHBondContact O-N 3.33Å; A1120-E1124 WeakPolarHBondContact O-CB 3.5Å; A1120-E1124 PolarHBondContact O-N 3.21Å
1121	R	92.5	Very high	90.8	Very high	115 Å²	115	49.5 Å²	49.5	43%	0.434	25%	0.252	S	S	.	.	H	α-helix	trans	-65.1	-38.8	179.2	-73.1	173.1	167.6	-172.1	-6.2	112.3	I1117 A1118 T1119 E1124 A1125	I1117-R1121 WeakPolarHBondContact O-CG 3.46Å; I1117-R1121 PolarHBondContact O-N 3.06Å; A1118-R1121 PolarHBondContact O-N 2.81Å; T1119-R1121 PolarHBondContact O-N 3.24Å; R1121-E1124 PolarHBondContact O-N 2.91Å; R1121-A1125 WeakPolarHBondContact O-CB 3.25Å; R1121-A1125 PolarHBondContact O-N 3.3Å
1122	D	91.8	Very high	90.8	Very high	64 Å²	64	46.1 Å²	46.1	34%	0.342	24%	0.237	S	C	.	.	H	α-helix	trans	-64.1	-41.6	173.8	167.3	72.9	0	0	0	111.9	A1118 T1119 R1126	A1118-D1122 WeakPolarHBondContact O-CB 3.45Å; A1118-D1122 PolarHBondContact O-N 3.44Å; T1119-D1122 PolarHBondContact O-N 3.27Å; D1122-R1126 VanDerWaalsContact CG-NH2 3.31Å; D1122-R1126 WeakPolarHBondContact O-CB 3.4Å; D1122-R1126 PolarHBondContact O-N 2.71Å; D1122-R1126 IonicContact OD1-CZ 3.83Å; D1122-R1126 IonicContact OD1-NE 3.92Å; D1122-R1126 PolarHBondContact OD1-NE 3.15Å; D1122-R1126 IonicContact OD1-NH2 3.36Å; D1122-R1126 PolarHBondContact OD1-NH2 2.65Å; D1122-R1126 VanDerWaalsContact OD1-NH2 3.15Å; D1122-R1126 IonicContact OD2-CZ 3.95Å; D1122-R1126 IonicContact OD2-NE 2.95Å; D1122-R1126 PolarHBondContact OD2-NE 3.34Å; D1122-R1126 IonicContact OD2-NH2 2.87Å; D1122-R1126 PolarHBondContact OD2-NH2 2.93Å
1123	M	91.3	Very high	91	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.02	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-40.5	175.1	-67.6	167.3	90.5	0	0	112.3	I978 P1071 T1119 A1120 W1127	I978-M1123 HydrophobicContact CG2-CE 3.66Å; P1071-M1123 HydrophobicContact CG-CB 4.46Å; P1071-M1123 HydrophobicContact CG-CE 3.35Å; P1071-M1123 HydrophobicContact CG-CG 4.19Å; T1119-M1123 HydrophobicContact CG2-CG 4.34Å; T1119-M1123 HydrophobicContact CG2-SD 3.69Å; T1119-M1123 WeakPolarHBondContact O-CB 3.28Å; T1119-M1123 WeakPolarHBondContact O-CG 3.21Å; T1119-M1123 PolarHBondContact O-N 2.77Å; A1120-M1123 PolarHBondContact O-N 3.33Å; M1123-W1127 HydrophobicContact CB-CE3 4.45Å; M1123-W1127 HydrophobicContact CG-CZ3 4.41Å; M1123-W1127 PolarHBondContact O-N 2.84Å
1124	E	90.5	Very high	91.1	Very high	78 Å²	78	46.7 Å²	46.7	36%	0.364	24%	0.242	S	C	.	.	H	α-helix	trans	-69	-41	177.8	-176.8	174.3	-152.8	0	0	112.6	L1088 A1120 R1121 G1128	L1088-E1124 HydrophobicContact CD2-CB 4.22Å; A1120-E1124 WeakPolarHBondContact O-CB 3.5Å; A1120-E1124 PolarHBondContact O-N 3.21Å; R1121-E1124 PolarHBondContact O-N 2.91Å; E1124-G1128 WeakPolarHBondContact O-CA 3.47Å; E1124-G1128 PolarHBondContact O-N 3.06Å
1125	A	87.4	Confident	91.3	Very high	69 Å²	69	42.2 Å²	42.2	57%	0.57	22%	0.222	S	C	*	.	H	α-helix	trans	-62.3	-53.9	173.8	0	0	0	0	0	111.4	R1121	R1121-A1125 WeakPolarHBondContact O-CB 3.25Å; R1121-A1125 PolarHBondContact O-N 3.3Å
1126	R	87.5	Confident	91.5	Very high	128 Å²	128	42.6 Å²	42.6	48%	0.483	22%	0.224	S	C	.	.	H	α-helix	trans	-79.5	-32.8	-170.4	-66.5	-164.5	-76.5	152.1	-5.2	114.9	D1122 H1129	D1122-R1126 VanDerWaalsContact CG-NH2 3.31Å; D1122-R1126 WeakPolarHBondContact O-CB 3.4Å; D1122-R1126 PolarHBondContact O-N 2.71Å; D1122-R1126 IonicContact OD1-CZ 3.83Å; D1122-R1126 IonicContact OD1-NE 3.92Å; D1122-R1126 PolarHBondContact OD1-NE 3.15Å; D1122-R1126 IonicContact OD1-NH2 3.36Å; D1122-R1126 PolarHBondContact OD1-NH2 2.65Å; D1122-R1126 VanDerWaalsContact OD1-NH2 3.15Å; D1122-R1126 IonicContact OD2-CZ 3.95Å; D1122-R1126 IonicContact OD2-NE 2.95Å; D1122-R1126 PolarHBondContact OD2-NE 3.34Å; D1122-R1126 IonicContact OD2-NH2 2.87Å; D1122-R1126 PolarHBondContact OD2-NH2 2.93Å; R1126-H1129 PolarHBondContact O-CE1 2.77Å
1127	W	90.4	Very high	91.5	Very high	20 Å²	20	42.2 Å²	42.2	8%	0.076	22%	0.221	C	C	.	.	H	α-helix	trans	-127.5	6.2	-177.1	-57.5	-83.7	0	0	0	114.4	P1071 M1123 H1129 L1130 F1131	P1071-W1127 HydrophobicContact CB-CB 3.92Å; P1071-W1127 HydrophobicContact CB-CD2 3.32Å; P1071-W1127 HydrophobicContact CB-CE3 3.46Å; P1071-W1127 VanDerWaalsContact CB-CE3 3.46Å; P1071-W1127 HydrophobicContact CB-CG 3.54Å; P1071-W1127 HydrophobicContact CB-CZ2 4.43Å; P1071-W1127 HydrophobicContact CB-CZ3 4.09Å; P1071-W1127 HydrophobicContact CG-CD2 4.26Å; P1071-W1127 HydrophobicContact CG-CE3 3.89Å; P1071-W1127 HydrophobicContact CG-CZ3 4.26Å; M1123-W1127 HydrophobicContact CB-CE3 4.45Å; M1123-W1127 HydrophobicContact CG-CZ3 4.41Å; M1123-W1127 PolarHBondContact O-N 2.84Å; W1127-H1129 PolarHBondContact O-N 3.06Å; W1127-L1130 HydrophobicContact CB-CD1 4.38Å; W1127-L1130 WeakPolarHBondContact O-CB 3.39Å; W1127-L1130 PolarHBondContact O-N 3.21Å; W1127-F1131 HydrophobicContact CB-CE1 3.94Å; W1127-F1131 HydrophobicContact CB-CZ 3.91Å; W1127-F1131 WeakPolarHBondContact O-CE1 3.4Å
1128	G	88.2	Confident	91.4	Very high	14 Å²	14	44.3 Å²	44.3	14%	0.144	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-62.7	-14.2	-175.9	0	0	0	0	0	116	K852 E1124	K852-G1128 VanDerWaalsContact CE-C 3.46Å; E1124-G1128 WeakPolarHBondContact O-CA 3.47Å; E1124-G1128 PolarHBondContact O-N 3.06Å
1129	H	88.1	Confident	91.2	Very high	26 Å²	26	43.6 Å²	43.6	12%	0.12	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-75.1	-13.2	171.2	58.2	-89.8	0	0	0	112.7	H830 L957 R1126 W1127	H830-H1129 HydrophobicContact CB-CB 4.18Å; L957-H1129 HydrophobicContact CD1-CB 4.42Å; L957-H1129 HydrophobicContact CD2-CB 4.21Å; R1126-H1129 PolarHBondContact O-CE1 2.77Å; W1127-H1129 PolarHBondContact O-N 3.06Å
1130	L	90.4	Very high	91.1	Very high	14 Å²	14	43.1 Å²	43.1	7%	0.073	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-98.4	-0.3	178.8	-51.2	179.7	0	0	0	113.6	L1074 V1086 W1127	L1074-L1130 HydrophobicContact CB-CD1 3.89Å; L1074-L1130 HydrophobicContact CD1-CB 3.7Å; L1074-L1130 HydrophobicContact CD1-CD1 4.07Å; V1086-L1130 WeakPolarHBondContact CB-O 3.06Å; W1127-L1130 HydrophobicContact CB-CD1 4.38Å; W1127-L1130 WeakPolarHBondContact O-CB 3.39Å; W1127-L1130 PolarHBondContact O-N 3.21Å
1131	F	92.4	Very high	91.1	Very high	23 Å²	23	47.4 Å²	47.4	10%	0.101	24%	0.238	C	C	.	.			trans	-96.7	130.6	-177.5	-53.6	-18.9	0	0	0	110	I978 L1074 V1086 L1088 W1127	I978-F1131 HydrophobicContact CD1-CE1 4.35Å; I978-F1131 HydrophobicContact CG2-CE1 4.17Å; I978-F1131 HydrophobicContact CG2-CZ 4.17Å; L1074-F1131 HydrophobicContact CD1-CD1 4.04Å; L1074-F1131 HydrophobicContact CD1-CE1 3.82Å; V1086-F1131 HydrophobicContact CG1-CD1 3.7Å; V1086-F1131 HydrophobicContact CG1-CE1 4.45Å; V1086-F1131 HydrophobicContact CG1-CG 4.48Å; L1088-F1131 HydrophobicContact CB-CD2 3.67Å; L1088-F1131 HydrophobicContact CB-CE2 3.99Å; L1088-F1131 HydrophobicContact CB-CG 4.27Å; L1088-F1131 HydrophobicContact CD1-CD2 4.48Å; L1088-F1131 HydrophobicContact CD1-CE2 3.91Å; L1088-F1131 HydrophobicContact CD1-CZ 4.34Å; L1088-F1131 HydrophobicContact CD2-CD2 3.94Å; L1088-F1131 HydrophobicContact CD2-CE2 3.77Å; L1088-F1131 HydrophobicContact CG-CD2 4.23Å; L1088-F1131 HydrophobicContact CG-CE2 4.09Å; W1127-F1131 HydrophobicContact CB-CE1 3.94Å; W1127-F1131 HydrophobicContact CB-CZ 3.91Å; W1127-F1131 WeakPolarHBondContact O-CE1 3.4Å
1132	D	92.1	Very high	91.2	Very high	42 Å²	42	51.1 Å²	51.1	23%	0.225	25%	0.252	C	S	.	.	S	Bend	trans	-82.5	-30.4	175.4	-55.4	-114.7	0	0	0	111.5	R973 Y1085 V1086	R973-D1132 IonicContact NH2-OD1 2.65Å; R973-D1132 PolarHBondContact NH2-OD1 2.88Å; R973-D1132 VanDerWaalsContact NH2-OD1 3.09Å; Y1085-D1132 HydrophobicContact CD1-CB 4.38Å; Y1085-D1132 HydrophobicContact CD2-CB 3.54Å; Y1085-D1132 HydrophobicContact CE1-CB 4.17Å; Y1085-D1132 HydrophobicContact CE2-CB 3.32Å; Y1085-D1132 HydrophobicContact CG-CB 4.08Å; V1086-D1132 PolarHBondContact N-OD2 3.15Å; V1086-D1132 PolarHBondContact O-N 3.29Å
1133	M	92.4	Very high	91.3	Very high	23 Å²	23	48.2 Å²	48.2	11%	0.113	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	150.1	177.9	170.5	177.2	53.9	0	0	113.2	Y1085 V1086 V1087 L1088 I1135 L1147 E1150	Y1085-M1133 HydrophobicContact CE1-CB 4.33Å; Y1085-M1133 HydrophobicContact CE1-CE 4.16Å; Y1085-M1133 WeakPolarHBondContact OH-CB 3.3Å; V1086-M1133 PolarHBondContact O-N 3.34Å; V1086-M1133 VanDerWaalsContact O-N 3.16Å; V1087-M1133 CarbonylContact C-O 3.49Å; V1087-M1133 WeakPolarHBondContact CA-O 3.48Å; V1087-M1133 HydrophobicContact CB-CE 4.4Å; V1087-M1133 HydrophobicContact CG1-CE 3.84Å; V1087-M1133 HydrophobicContact CG2-CE 3.62Å; L1088-M1133 PolarHBondContact N-O 2.96Å; M1133-I1135 HydrophobicContact CE-CD1 3.58Å; M1133-I1135 HydrophobicContact CE-CG1 3.89Å; M1133-I1135 HydrophobicContact CG-CG1 4.03Å; M1133-I1135 HydrophobicContact SD-CD1 3.91Å; M1133-I1135 HydrophobicContact SD-CG1 3.69Å; M1133-L1147 HydrophobicContact CE-CD1 3.97Å; M1133-E1150 HydrophobicContact CE-CB 3.76Å; M1133-E1150 HydrophobicContact CE-CG 3.59Å; M1133-E1150 HydrophobicContact SD-CB 4.1Å; M1133-E1150 HydrophobicContact SD-CG 3.89Å
1134	I	93.5	Very high	91.6	Very high	72 Å²	72	49.5 Å²	49.5	37%	0.369	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.6	168.7	-52.4	-178.2	0	0	0	110.5	L1088 A1090	L1088-I1134 HydrophobicContact CB-CG1 4.18Å; L1088-I1134 HydrophobicContact CB-CG2 4.36Å; L1088-I1134 HydrophobicContact CD2-CD1 4.22Å; L1088-I1134 HydrophobicContact CD2-CG1 4.23Å; L1088-I1134 HydrophobicContact CD2-CG2 4.05Å; L1088-I1134 HydrophobicContact CG-CG2 4.41Å; L1088-I1134 CarbonylContact O-C 3.51Å; L1088-I1134 WeakPolarHBondContact O-CA 3.4Å; A1090-I1134 HydrophobicContact CB-CG2 3.76Å
1135	I	95.1	Very high	91.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.1	173.8	-62.6	-175.3	0	0	0	109.8	V1087 L1088 V1089 A1090 M1133 N1137 A1143 Q1146 L1147	V1087-I1135 HydrophobicContact CG1-CB 4.48Å; V1087-I1135 HydrophobicContact CG1-CD1 3.99Å; V1087-I1135 HydrophobicContact CG1-CG1 3.97Å; L1088-I1135 PolarHBondContact O-N 2.98Å; V1089-I1135 CarbonylContact C-O 3.58Å; V1089-I1135 WeakPolarHBondContact CA-O 3.32Å; A1090-I1135 PolarHBondContact N-O 3.33Å; M1133-I1135 HydrophobicContact CE-CD1 3.58Å; M1133-I1135 HydrophobicContact CE-CG1 3.89Å; M1133-I1135 HydrophobicContact CG-CG1 4.03Å; M1133-I1135 HydrophobicContact SD-CD1 3.91Å; M1133-I1135 HydrophobicContact SD-CG1 3.69Å; I1135-N1137 PolarHBondContact O-N 2.82Å; I1135-A1143 HydrophobicContact CG2-CB 3.76Å; I1135-Q1146 HydrophobicContact CD1-CB 4.46Å; I1135-Q1146 HydrophobicContact CD1-CG 4.19Å; I1135-Q1146 HydrophobicContact CG1-CG 4.36Å; I1135-L1147 HydrophobicContact CD1-CB 3.66Å; I1135-L1147 HydrophobicContact CD1-CD1 4.13Å; I1135-L1147 HydrophobicContact CD1-CG 4.41Å
1136	I	94.6	Very high	92.3	Very high	81 Å²	81	51.4 Å²	51.4	42%	0.415	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	104.2	174.7	-56.1	176.2	0	0	0	109.5	A1090 P1092 N1138	A1090-I1136 CarbonylContact O-C 3.59Å; A1090-I1136 WeakPolarHBondContact O-CA 3.44Å; P1092-I1136 HydrophobicContact CB-CG2 4Å; I1136-N1138 PolarHBondContact O-N 3.14Å
1137	N	93	Very high	92.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.215	C	C	.	.			trans	-79	62.1	-176.2	-169.8	6.7	0	0	0	113.6	I983 V1089 A1090 K1100 I1135 D1139 T1140 A1143	I983-N1137 PolarHBondContact O-ND2 2.94Å; V1089-N1137 HydrophobicContact CG1-CB 3.74Å; A1090-N1137 PolarHBondContact O-N 3.2Å; K1100-N1137 PolarHBondContact NZ-ND2 3.36Å; K1100-N1137 PolarHBondContact NZ-O 2.84Å; K1100-N1137 PolarHBondContact NZ-OD1 2.84Å; I1135-N1137 PolarHBondContact O-N 2.82Å; N1137-D1139 VanDerWaalsContact OD1-C 3.29Å; N1137-D1139 PolarHBondContact OD1-O 3.11Å; N1137-T1140 WeakPolarHBondContact OD1-CA 3.39Å; N1137-T1140 PolarHBondContact OD1-N 2.91Å; N1137-T1140 PolarHBondContact OD1-OG1 3.48Å; N1137-A1143 HydrophobicContact CB-CB 4.33Å
1138	N	90	Very high	92.9	Very high	68 Å²	68	45.9 Å²	45.9	36%	0.364	22%	0.22	S	C	.	.	S	Bend	trans	-65.8	-40.6	168.5	-171.2	75.9	0	0	0	111.9	P1092 K1096 K1100 I1136	P1092-N1138 HydrophobicContact CB-CB 4.12Å; K1096-N1138 WeakPolarHBondContact CB-OD1 3.24Å; K1096-N1138 WeakPolarHBondContact CD-OD1 3.46Å; K1100-N1138 WeakPolarHBondContact CD-O 3.4Å; K1100-N1138 WeakPolarHBondContact CE-O 3.45Å; I1136-N1138 PolarHBondContact O-N 3.14Å
1139	D	89.1	Confident	93.3	Very high	41 Å²	41	48 Å²	48	22%	0.219	24%	0.235	C	C	.	.			trans	-138.2	125.9	176.8	-159.5	-61.4	0	0	0	109.9	R1103 N1137 E1141 R1142 A1143	R1103-D1139 IonicContact CZ-OD2 3.92Å; R1103-D1139 VanDerWaalsContact CZ-OD2 3.26Å; R1103-D1139 IonicContact NH1-OD2 3.43Å; R1103-D1139 PolarHBondContact NH1-OD2 3.42Å; R1103-D1139 IonicContact NH2-OD2 2.85Å; R1103-D1139 PolarHBondContact NH2-OD2 3.5Å; N1137-D1139 VanDerWaalsContact OD1-C 3.29Å; N1137-D1139 PolarHBondContact OD1-O 3.11Å; D1139-E1141 VanDerWaalsContact C-N 3.28Å; D1139-E1141 PolarHBondContact O-N 3.3Å; D1139-E1141 WeakPolarHBondContact OD1-CB 3.18Å; D1139-E1141 PolarHBondContact OD1-N 2.96Å; D1139-E1141 VanDerWaalsContact OD1-N 3.1Å; D1139-R1142 HydrophobicContact CB-CB 4.33Å; D1139-R1142 PolarHBondContact O-N 3.27Å; D1139-A1143 WeakPolarHBondContact O-CB 3.37Å; D1139-A1143 PolarHBondContact O-N 3.28Å
1140	T	90.6	Very high	93.6	Very high	20 Å²	20	49.4 Å²	49.4	12%	0.123	24%	0.242	C	C	.	.	H	α-helix	trans	-67.6	-29.3	-173.5	-56	0	0	0	0	111.6	E987 L988 K1100 N1137 Y1144	E987-T1140 HydrophobicContact CB-CG2 3.86Å; E987-T1140 WeakPolarHBondContact OE2-CB 3.4Å; E987-T1140 WeakPolarHBondContact OE2-CG2 3.31Å; E987-T1140 PolarHBondContact OE2-OG1 2.88Å; L988-T1140 HydrophobicContact CD2-CG2 3.92Å; L988-T1140 HydrophobicContact CG-CG2 4.35Å; K1100-T1140 PolarHBondContact NZ-OG1 3.44Å; N1137-T1140 WeakPolarHBondContact OD1-CA 3.39Å; N1137-T1140 PolarHBondContact OD1-N 2.91Å; N1137-T1140 PolarHBondContact OD1-OG1 3.48Å; T1140-Y1144 VanDerWaalsContact O-CB 3.28Å; T1140-Y1144 WeakPolarHBondContact O-CB 3.11Å; T1140-Y1144 PolarHBondContact O-N 2.97Å
1141	E	92.1	Very high	93.8	Very high	94 Å²	94	48.9 Å²	48.9	44%	0.439	24%	0.239	S	C	.	.	H	α-helix	trans	-62.2	-49.8	172.9	-68.3	-65.6	141.6	0	0	111.3	R991 D1139 Y1144 H1145	R991-E1141 IonicContact CZ-OE1 3.55Å; R991-E1141 IonicContact CZ-OE2 3.39Å; R991-E1141 IonicContact NH1-OE1 2.65Å; R991-E1141 PolarHBondContact NH1-OE1 3.45Å; R991-E1141 IonicContact NH1-OE2 2.92Å; R991-E1141 PolarHBondContact NH1-OE2 3.44Å; R991-E1141 IonicContact NH2-OE1 2.77Å; R991-E1141 IonicContact NH2-OE2 3.17Å; R991-E1141 PolarHBondContact NH2-OE2 3.37Å; D1139-E1141 VanDerWaalsContact C-N 3.28Å; D1139-E1141 PolarHBondContact O-N 3.3Å; D1139-E1141 WeakPolarHBondContact OD1-CB 3.18Å; D1139-E1141 PolarHBondContact OD1-N 2.96Å; D1139-E1141 VanDerWaalsContact OD1-N 3.1Å; E1141-Y1144 PolarHBondContact O-N 2.98Å; E1141-H1145 PolarHBondContact O-N 2.8Å; E1141-H1145 VanDerWaalsContact O-N 3.09Å; E1141-H1145 PolarHBondContact O-ND1 3.41Å; E1141-H1145 VanDerWaalsContact O-ND1 3.14Å
1142	R	93.9	Very high	93.9	Very high	193 Å²	193	50.2 Å²	50.2	73%	0.728	25%	0.248	S	C	*	.	H	α-helix	trans	-70.8	-40.7	-178.2	-177	174.9	172.8	166.4	-0.4	111.5	D1139 Y1144 H1145 Q1146	D1139-R1142 HydrophobicContact CB-CB 4.33Å; D1139-R1142 PolarHBondContact O-N 3.27Å; R1142-Y1144 VanDerWaalsContact C-N 3.31Å; R1142-Y1144 PolarHBondContact O-N 3.38Å; R1142-H1145 PolarHBondContact O-N 2.99Å; R1142-Q1146 WeakPolarHBondContact O-CB 3.3Å; R1142-Q1146 PolarHBondContact O-N 3.49Å
1143	A	95.4	Very high	93.9	Very high	2 Å²	2	49.1 Å²	49.1	2%	0.017	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-38	175.6	0	0	0	0	0	111.8	L988 I1135 N1137 D1139 L1147	L988-A1143 HydrophobicContact CD1-CB 4.39Å; L988-A1143 HydrophobicContact CD2-CB 4.07Å; I1135-A1143 HydrophobicContact CG2-CB 3.76Å; N1137-A1143 HydrophobicContact CB-CB 4.33Å; D1139-A1143 WeakPolarHBondContact O-CB 3.37Å; D1139-A1143 PolarHBondContact O-N 3.28Å; A1143-L1147 VanDerWaalsContact O-CB 3.28Å; A1143-L1147 WeakPolarHBondContact O-CB 3.33Å; A1143-L1147 PolarHBondContact O-N 3.22Å
1144	Y	95.9	Very high	93.9	Very high	31 Å²	31	48.8 Å²	48.8	12%	0.122	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-48	173.2	172.9	-101.9	0	0	0	112.3	R991 L992 T1140 E1141 R1142 Q1146 L1147 L1148	R991-Y1144 HydrophobicContact CB-CD2 3.92Å; R991-Y1144 HydrophobicContact CB-CE2 3.97Å; R991-Y1144 VanDerWaalsContact CD-CG 3.41Å; R991-Y1144 HydrophobicContact CG-CD1 4.36Å; R991-Y1144 HydrophobicContact CG-CD2 3.65Å; R991-Y1144 HydrophobicContact CG-CE1 4.29Å; R991-Y1144 HydrophobicContact CG-CE2 3.57Å; R991-Y1144 HydrophobicContact CG-CG 4.04Å; L992-Y1144 HydrophobicContact CD2-CD2 4.44Å; L992-Y1144 HydrophobicContact CD2-CE2 3.8Å; L992-Y1144 HydrophobicContact CG-CE2 4.11Å; T1140-Y1144 VanDerWaalsContact O-CB 3.28Å; T1140-Y1144 WeakPolarHBondContact O-CB 3.11Å; T1140-Y1144 PolarHBondContact O-N 2.97Å; E1141-Y1144 PolarHBondContact O-N 2.98Å; R1142-Y1144 VanDerWaalsContact C-N 3.31Å; R1142-Y1144 PolarHBondContact O-N 3.38Å; Y1144-Q1146 VanDerWaalsContact C-N 3.33Å; Y1144-Q1146 PolarHBondContact O-N 2.87Å; Y1144-L1147 PolarHBondContact O-N 2.82Å; Y1144-L1148 HydrophobicContact CE1-CD2 4.02Å; Y1144-L1148 VanDerWaalsContact O-CB 3.31Å; Y1144-L1148 WeakPolarHBondContact O-CB 3.29Å; Y1144-L1148 PolarHBondContact O-N 3.12Å
1145	H	96.2	Very high	93.7	Very high	104 Å²	104	48.1 Å²	48.1	48%	0.481	24%	0.237	S	C	.	.	H	α-helix	trans	-65.9	-34.2	179	-68	130.4	0	0	0	112.9	E1141 R1142 A1149	E1141-H1145 PolarHBondContact O-N 2.8Å; E1141-H1145 VanDerWaalsContact O-N 3.09Å; E1141-H1145 PolarHBondContact O-ND1 3.41Å; E1141-H1145 VanDerWaalsContact O-ND1 3.14Å; R1142-H1145 PolarHBondContact O-N 2.99Å; H1145-A1149 VanDerWaalsContact O-CB 3.26Å; H1145-A1149 WeakPolarHBondContact O-CB 3.47Å; H1145-A1149 PolarHBondContact O-N 3.2Å
1146	Q	96.6	Very high	93.5	Very high	83 Å²	83	55.5 Å²	55.5	39%	0.388	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-49.8	171.3	-177.8	176.2	-7.5	0	0	111.3	I1135 R1142 Y1144 L1148 A1149 E1150	I1135-Q1146 HydrophobicContact CD1-CB 4.46Å; I1135-Q1146 HydrophobicContact CD1-CG 4.19Å; I1135-Q1146 HydrophobicContact CG1-CG 4.36Å; R1142-Q1146 WeakPolarHBondContact O-CB 3.3Å; R1142-Q1146 PolarHBondContact O-N 3.49Å; Y1144-Q1146 VanDerWaalsContact C-N 3.33Å; Y1144-Q1146 PolarHBondContact O-N 2.87Å; Q1146-L1148 VanDerWaalsContact C-N 3.33Å; Q1146-L1148 PolarHBondContact O-N 3.24Å; Q1146-A1149 PolarHBondContact O-N 2.7Å; Q1146-E1150 PolarHBondContact O-N 2.96Å
1147	L	96.3	Very high	93.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-41.1	177.5	-178.9	55.9	0	0	0	112.2	I975 L977 L988 L992 V1087 M1133 I1135 A1143 Y1144 I1151	I975-L1147 HydrophobicContact CG2-CD1 4.48Å; L977-L1147 HydrophobicContact CD2-CD1 4.34Å; L977-L1147 HydrophobicContact CD2-CD2 3.95Å; L988-L1147 HydrophobicContact CB-CD2 4.46Å; L992-L1147 HydrophobicContact CD1-CD2 3.83Å; L992-L1147 HydrophobicContact CD1-CG 4.4Å; V1087-L1147 HydrophobicContact CG1-CD1 4.37Å; V1087-L1147 HydrophobicContact CG2-CD1 3.99Å; M1133-L1147 HydrophobicContact CE-CD1 3.97Å; I1135-L1147 HydrophobicContact CD1-CB 3.66Å; I1135-L1147 HydrophobicContact CD1-CD1 4.13Å; I1135-L1147 HydrophobicContact CD1-CG 4.41Å; A1143-L1147 VanDerWaalsContact O-CB 3.28Å; A1143-L1147 WeakPolarHBondContact O-CB 3.33Å; A1143-L1147 PolarHBondContact O-N 3.22Å; Y1144-L1147 PolarHBondContact O-N 2.82Å; L1147-I1151 HydrophobicContact CD1-CD1 3.91Å; L1147-I1151 HydrophobicContact CD1-CG1 4.34Å; L1147-I1151 HydrophobicContact CG-CD1 3.89Å; L1147-I1151 WeakPolarHBondContact O-CD1 3.35Å; L1147-I1151 WeakPolarHBondContact O-CG1 3.19Å; L1147-I1151 PolarHBondContact O-N 3.39Å
1148	L	95.5	Very high	93.3	Very high	33 Å²	33	58 Å²	58	17%	0.173	28%	0.279	C	S	.	.	H	α-helix	trans	-69.3	-40	178.1	-172.2	65.4	0	0	0	111.8	L992 F999 Y1144 Q1146 E1150 I1151 N1152	L992-L1148 HydrophobicContact CD2-CD1 4.35Å; F999-L1148 HydrophobicContact CE2-CD1 4.4Å; F999-L1148 HydrophobicContact CZ-CD1 4.1Å; Y1144-L1148 HydrophobicContact CE1-CD2 4.02Å; Y1144-L1148 VanDerWaalsContact O-CB 3.31Å; Y1144-L1148 WeakPolarHBondContact O-CB 3.29Å; Y1144-L1148 PolarHBondContact O-N 3.12Å; Q1146-L1148 VanDerWaalsContact C-N 3.33Å; Q1146-L1148 PolarHBondContact O-N 3.24Å; L1148-E1150 VanDerWaalsContact C-N 3.34Å; L1148-I1151 PolarHBondContact O-N 3.22Å; L1148-N1152 WeakPolarHBondContact O-CB 3.38Å; L1148-N1152 PolarHBondContact O-N 3.43Å; L1148-N1152 PolarHBondContact O-ND2 3.43Å; L1148-N1152 PolarHBondContact O-OD1 2.95Å; L1148-N1152 VanDerWaalsContact O-OD1 3.14Å
1149	A	95.9	Very high	93.4	Very high	57 Å²	57	56.2 Å²	56.2	47%	0.471	27%	0.269	S	S	.	.	H	α-helix	trans	-61.6	-42.8	175.1	0	0	0	0	0	111.8	H1145 Q1146 N1152 S1153	H1145-A1149 VanDerWaalsContact O-CB 3.26Å; H1145-A1149 WeakPolarHBondContact O-CB 3.47Å; H1145-A1149 PolarHBondContact O-N 3.2Å; Q1146-A1149 PolarHBondContact O-N 2.7Å; A1149-N1152 WeakPolarHBondContact O-CB 3.32Å; A1149-N1152 PolarHBondContact O-N 2.83Å; A1149-S1153 PolarHBondContact O-N 3.47Å; A1149-S1153 VanDerWaalsContact O-N 3.11Å
1150	E	95.1	Very high	93.6	Very high	57 Å²	57	56.1 Å²	56.1	27%	0.266	27%	0.266	S	S	.	.	H	α-helix	trans	-61.4	-53.1	174.3	-170.2	68.5	-166.4	0	0	111.2	Y1085 M1133 Q1146 L1148 N1152 S1153 L1154	Y1085-E1150 HydrophobicContact CE1-CG 4.13Å; Y1085-E1150 VanDerWaalsContact OH-CD 3.24Å; Y1085-E1150 WeakPolarHBondContact OH-CG 3.46Å; Y1085-E1150 PolarHBondContact OH-OE1 3.45Å; M1133-E1150 HydrophobicContact CE-CB 3.76Å; M1133-E1150 HydrophobicContact CE-CG 3.59Å; M1133-E1150 HydrophobicContact SD-CB 4.1Å; M1133-E1150 HydrophobicContact SD-CG 3.89Å; Q1146-E1150 PolarHBondContact O-N 2.96Å; L1148-E1150 VanDerWaalsContact C-N 3.34Å; E1150-N1152 PolarHBondContact O-N 2.95Å; E1150-N1152 VanDerWaalsContact O-N 3.13Å; E1150-S1153 WeakPolarHBondContact O-CA 3.42Å; E1150-S1153 VanDerWaalsContact O-CB 3.25Å; E1150-S1153 WeakPolarHBondContact O-CB 3.46Å; E1150-S1153 PolarHBondContact O-N 2.78Å; E1150-L1154 WeakPolarHBondContact O-CG 3.5Å; E1150-L1154 PolarHBondContact O-N 3.32Å
1151	I	94.5	Very high	93.7	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-58.3	-32.6	178.3	-64.2	163.4	0	0	0	111.4	I975 L992 F999 I1064 L1147 L1148 L1154 E1155	I975-I1151 HydrophobicContact CD1-CD1 4.49Å; I975-I1151 HydrophobicContact CD1-CG1 3.96Å; I975-I1151 HydrophobicContact CG1-CD1 4.05Å; I975-I1151 HydrophobicContact CG1-CG1 4.07Å; I975-I1151 HydrophobicContact CG2-CD1 4.29Å; L992-I1151 HydrophobicContact CD1-CD1 4.27Å; L992-I1151 HydrophobicContact CD2-CD1 4.16Å; F999-I1151 HydrophobicContact CE1-CD1 4.17Å; F999-I1151 HydrophobicContact CE1-CG2 4.07Å; F999-I1151 HydrophobicContact CZ-CG2 4.25Å; I1064-I1151 HydrophobicContact CD1-CG2 3.59Å; L1147-I1151 HydrophobicContact CD1-CD1 3.91Å; L1147-I1151 HydrophobicContact CD1-CG1 4.34Å; L1147-I1151 HydrophobicContact CG-CD1 3.89Å; L1147-I1151 WeakPolarHBondContact O-CD1 3.35Å; L1147-I1151 WeakPolarHBondContact O-CG1 3.19Å; L1147-I1151 PolarHBondContact O-N 3.39Å; L1148-I1151 PolarHBondContact O-N 3.22Å; I1151-L1154 PolarHBondContact O-N 3.24Å; I1151-E1155 PolarHBondContact O-N 2.98Å
1152	N	93.6	Very high	93.7	Very high	52 Å²	52	50.7 Å²	50.7	28%	0.278	24%	0.239	S	C	.	.	H	α-helix	trans	-67.3	-32.4	172.7	-62.5	-19	0	0	0	113	R998 L1148 A1149 E1150 R1156	R998-N1152 VanDerWaalsContact CZ-OD1 3.26Å; R998-N1152 PolarHBondContact NH1-OD1 2.91Å; R998-N1152 PolarHBondContact NH2-OD1 3.38Å; L1148-N1152 WeakPolarHBondContact O-CB 3.38Å; L1148-N1152 PolarHBondContact O-N 3.43Å; L1148-N1152 PolarHBondContact O-ND2 3.43Å; L1148-N1152 PolarHBondContact O-OD1 2.95Å; L1148-N1152 VanDerWaalsContact O-OD1 3.14Å; A1149-N1152 WeakPolarHBondContact O-CB 3.32Å; A1149-N1152 PolarHBondContact O-N 2.83Å; E1150-N1152 PolarHBondContact O-N 2.95Å; E1150-N1152 VanDerWaalsContact O-N 3.13Å; N1152-R1156 PolarHBondContact O-NH1 3.45Å
1153	S	93.4	Very high	93.6	Very high	19 Å²	19	41.7 Å²	41.7	13%	0.133	21%	0.206	C	C	.	.	H	α-helix	trans	-68.1	-47.8	171.1	172.5	0	0	0	0	111.1	A1149 E1150 E1155 R1156 E1157	A1149-S1153 PolarHBondContact O-N 3.47Å; A1149-S1153 VanDerWaalsContact O-N 3.11Å; E1150-S1153 WeakPolarHBondContact O-CA 3.42Å; E1150-S1153 VanDerWaalsContact O-CB 3.25Å; E1150-S1153 WeakPolarHBondContact O-CB 3.46Å; E1150-S1153 PolarHBondContact O-N 2.78Å; S1153-E1155 PolarHBondContact O-N 3.45Å; S1153-R1156 PolarHBondContact O-N 2.75Å; S1153-E1157 VanDerWaalsContact CB-OE2 3.23Å; S1153-E1157 WeakPolarHBondContact CB-OE2 3.48Å; S1153-E1157 PolarHBondContact O-N 2.83Å; S1153-E1157 PolarHBondContact OG-OE2 3.2Å
1154	L	91.5	Very high	93.3	Very high	15 Å²	15	46.7 Å²	46.7	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-57.9	-16.1	-179.5	-57.1	-179.3	0	0	0	114.9	P967 I975 Y1085 E1150 I1151 Q1159	P967-L1154 WeakPolarHBondContact CB-O 3.18Å; P967-L1154 VanDerWaalsContact CG-O 3.25Å; P967-L1154 WeakPolarHBondContact CG-O 3.43Å; I975-L1154 HydrophobicContact CD1-CD1 3.89Å; Y1085-L1154 HydrophobicContact CD1-CD1 3.61Å; Y1085-L1154 HydrophobicContact CD2-CD1 3.59Å; Y1085-L1154 HydrophobicContact CD2-CD2 3.71Å; Y1085-L1154 HydrophobicContact CD2-CG 4.31Å; Y1085-L1154 HydrophobicContact CE1-CD1 3.83Å; Y1085-L1154 HydrophobicContact CE2-CD1 3.8Å; Y1085-L1154 HydrophobicContact CE2-CD2 3.44Å; Y1085-L1154 VanDerWaalsContact CE2-CD2 3.44Å; Y1085-L1154 HydrophobicContact CE2-CG 4.22Å; Y1085-L1154 HydrophobicContact CG-CD1 3.48Å; Y1085-L1154 VanDerWaalsContact CG-CD1 3.48Å; Y1085-L1154 HydrophobicContact CG-CD2 4.47Å; E1150-L1154 WeakPolarHBondContact O-CG 3.5Å; E1150-L1154 PolarHBondContact O-N 3.32Å; I1151-L1154 PolarHBondContact O-N 3.24Å; L1154-Q1159 VanDerWaalsContact CD2-CD 3.48Å; L1154-Q1159 HydrophobicContact CD2-CG 3.79Å
1155	E	89.4	Confident	93.1	Very high	58 Å²	58	45.9 Å²	45.9	27%	0.271	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-10	175.9	-69	-164.7	99.3	0	0	114.6	K972 R998 I1151 S1153	K972-E1155 WeakPolarHBondContact CD-OE1 3.47Å; K972-E1155 VanDerWaalsContact CE-OE1 3.24Å; K972-E1155 WeakPolarHBondContact CE-OE1 3.38Å; K972-E1155 IonicContact NZ-OE1 2.65Å; K972-E1155 PolarHBondContact NZ-OE1 2.87Å; R998-E1155 IonicContact CZ-OE2 3.68Å; R998-E1155 IonicContact NE-OE2 3.22Å; R998-E1155 PolarHBondContact NE-OE2 3.36Å; R998-E1155 IonicContact NH2-OE2 2.72Å; R998-E1155 PolarHBondContact NH2-OE2 3.47Å; I1151-E1155 PolarHBondContact O-N 2.98Å; S1153-E1155 PolarHBondContact O-N 3.45Å
1156	R	90	Very high	92.6	Very high	156 Å²	156	43.3 Å²	43.3	59%	0.589	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-42.2	-177.7	-60.9	-174.4	-54.1	-98.6	-9.2	113.6	N1152 S1153	N1152-R1156 PolarHBondContact O-NH1 3.45Å; S1153-R1156 PolarHBondContact O-N 2.75Å
1157	E	92.1	Very high	91.3	Very high	78 Å²	78	44.2 Å²	44.2	36%	0.364	22%	0.221	S	C	.	.	S	Bend	trans	-101.5	134.3	-167.4	-71.4	127.3	-123.2	0	0	110.3	P967 S1153 Q1159	P967-E1157 WeakPolarHBondContact CG-O 3.4Å; S1153-E1157 VanDerWaalsContact CB-OE2 3.23Å; S1153-E1157 WeakPolarHBondContact CB-OE2 3.48Å; S1153-E1157 PolarHBondContact O-N 2.83Å; S1153-E1157 PolarHBondContact OG-OE2 3.2Å; E1157-Q1159 WeakPolarHBondContact O-CG 3.44Å; E1157-Q1159 PolarHBondContact O-NE2 3.15Å; E1157-Q1159 VanDerWaalsContact O-NE2 3.17Å
1158	P	92	Very high	89.5	Confident	54 Å²	54	49.8 Å²	49.8	35%	0.351	25%	0.251	S	S	.	.			trans	-55.7	144.2	174.7	-25.1	35.5	0	0	0	112.4	L964 Y966	L964-P1158 HydrophobicContact CB-CB 4.4Å; L964-P1158 HydrophobicContact CD2-CB 4.09Å; Y966-P1158 HydrophobicContact CD1-CB 4.27Å; Y966-P1158 HydrophobicContact CD1-CG 3.72Å; Y966-P1158 HydrophobicContact CE1-CB 4.18Å; Y966-P1158 HydrophobicContact CE1-CG 3.56Å
1159	Q	92.4	Very high	87.2	Confident	32 Å²	32	50 Å²	50	15%	0.15	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.1	-173.1	-63.5	-61.6	-44.2	0	0	111.6	Y965 L1154 E1157 V1161	Y965-Q1159 PolarHBondContact N-O 3.3Å; Y965-Q1159 PolarHBondContact O-N 3.44Å; L1154-Q1159 VanDerWaalsContact CD2-CD 3.48Å; L1154-Q1159 HydrophobicContact CD2-CG 3.79Å; E1157-Q1159 WeakPolarHBondContact O-CG 3.44Å; E1157-Q1159 PolarHBondContact O-NE2 3.15Å; E1157-Q1159 VanDerWaalsContact O-NE2 3.17Å; Q1159-V1161 HydrophobicContact CB-CG1 4.46Å; Q1159-V1161 PolarHBondContact O-N 2.93Å
1160	W	92.8	Very high	84.5	Confident	38 Å²	38	56.6 Å²	56.6	14%	0.144	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	113.7	171.3	-68.9	111.6	0	0	0	110.9	H826 R828 V855 H857 E872 V962 L964	H826-W1160 HydrophobicContact CB-CH2 4.24Å; H826-W1160 HydrophobicContact CB-CZ3 3.83Å; H826-W1160 AromaticContact CD2-CH2 3.28Å; H826-W1160 WeakPolarHBondContact CD2-CH2 3.19Å; H826-W1160 AromaticContact CD2-CZ3 3.76Å; H826-W1160 AromaticContact CG-CH2 3.99Å; H826-W1160 AromaticContact CG-CZ3 4Å; R828-W1160 PolarHBondContact NH2-O 3.47Å; V855-W1160 HydrophobicContact CG1-CD2 4.08Å; V855-W1160 HydrophobicContact CG1-CE3 4.47Å; V855-W1160 HydrophobicContact CG1-CG 4.39Å; V855-W1160 HydrophobicContact CG1-CZ2 4.45Å; V855-W1160 HydrophobicContact CG2-CB 4.12Å; V855-W1160 HydrophobicContact CG2-CD2 4.41Å; V855-W1160 HydrophobicContact CG2-CG 3.88Å; H857-W1160 AromaticContact CE1-CZ2 3.84Å; E872-W1160 PolarHBondContact OE1-NE1 3.03Å; V962-W1160 HydrophobicContact CB-CE3 4.08Å; V962-W1160 HydrophobicContact CG2-CD2 4.33Å; V962-W1160 HydrophobicContact CG2-CE3 3.69Å; V962-W1160 HydrophobicContact CG2-CZ3 4.32Å; L964-W1160 HydrophobicContact CD1-CH2 4.22Å; L964-W1160 HydrophobicContact CD1-CZ2 4.23Å; L964-W1160 HydrophobicContact CD2-CD2 3.59Å; L964-W1160 VanDerWaalsContact CD2-CE2 3.47Å; L964-W1160 HydrophobicContact CD2-CE3 3.96Å; L964-W1160 HydrophobicContact CD2-CG 4.06Å; L964-W1160 HydrophobicContact CD2-CH2 4.05Å; L964-W1160 HydrophobicContact CD2-CZ2 3.72Å; L964-W1160 HydrophobicContact CD2-CZ3 4.19Å; L964-W1160 HydrophobicContact CG-CD2 4.19Å; L964-W1160 HydrophobicContact CG-CE3 4.07Å; L964-W1160 HydrophobicContact CG-CH2 3.67Å; L964-W1160 HydrophobicContact CG-CZ2 3.82Å; L964-W1160 HydrophobicContact CG-CZ3 3.83Å
1161	V	93.2	Very high	81.6	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	161.5	176.8	-54.4	0	0	0	0	110.4	V962 A963 Y965 Q1159 A1163 W1165 V1166	V962-V1161 CarbonylContact C-O 3.59Å; V962-V1161 WeakPolarHBondContact CA-O 3.32Å; V962-V1161 WeakPolarHBondContact CB-O 3.38Å; A963-V1161 PolarHBondContact N-O 3.12Å; A963-V1161 PolarHBondContact O-N 3.05Å; Y965-V1161 HydrophobicContact CG-CG2 4.46Å; Q1159-V1161 HydrophobicContact CB-CG1 4.46Å; Q1159-V1161 PolarHBondContact O-N 2.93Å; V1161-A1163 PolarHBondContact O-N 3.41Å; V1161-W1165 HydrophobicContact CB-CE3 3.71Å; V1161-W1165 HydrophobicContact CB-CZ3 4.13Å; V1161-W1165 HydrophobicContact CG1-CE3 4.19Å; V1161-W1165 HydrophobicContact CG1-CZ3 4.31Å; V1161-W1165 HydrophobicContact CG2-CB 4.23Å; V1161-W1165 HydrophobicContact CG2-CE3 4.18Å; V1161-V1166 HydrophobicContact CG2-CG2 3.79Å
1162	P	92.8	Very high	78.8	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.006	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	129.7	176.9	-24	33.9	0	0	0	111.4	E960 E961 Q1164 W1165	E960-P1162 HydrophobicContact CG-CB 4.27Å; E960-P1162 HydrophobicContact CG-CG 4.45Å; E960-P1162 VanDerWaalsContact OE1-CG 3.26Å; E960-P1162 WeakPolarHBondContact OE1-CG 3.43Å; E961-P1162 CarbonylContact O-C 3.54Å; E961-P1162 WeakPolarHBondContact O-CA 3.39Å; P1162-Q1164 HydrophobicContact CB-CG 3.78Å; P1162-Q1164 PolarHBondContact O-N 3.16Å; P1162-Q1164 VanDerWaalsContact O-N 3.11Å; P1162-W1165 HydrophobicContact CB-CD2 4.42Å; P1162-W1165 HydrophobicContact CB-CG 4.39Å; P1162-W1165 HydrophobicContact CG-CD2 4.11Å; P1162-W1165 HydrophobicContact CG-CE3 4.43Å; P1162-W1165 HydrophobicContact CG-CH2 4.32Å; P1162-W1165 HydrophobicContact CG-CZ2 4.03Å; P1162-W1165 VanDerWaalsContact O-CB 3.3Å; P1162-W1165 WeakPolarHBondContact O-CB 3.26Å; P1162-W1165 PolarHBondContact O-N 3Å
1163	A	91.4	Very high	75.7	Confident	3 Å²	3	75.1 Å²	75.1	3%	0.025	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-32.7	-170.1	0	0	0	0	0	113	E961 A963 V1161 W1165 V1166 H1167	E961-A1163 HydrophobicContact CB-CB 4.19Å; E961-A1163 HydrophobicContact CG-CB 3.75Å; E961-A1163 PolarHBondContact O-N 2.9Å; E961-A1163 WeakPolarHBondContact OE1-CB 3.47Å; A963-A1163 HydrophobicContact CB-CB 4.22Å; V1161-A1163 PolarHBondContact O-N 3.41Å; A1163-W1165 PolarHBondContact O-N 2.96Å; A1163-V1166 PolarHBondContact O-N 2.96Å; A1163-H1167 PolarHBondContact O-N 3.09Å; A1163-H1167 PolarHBondContact O-ND1 2.9Å
1164	Q	89.5	Confident	74.8	Confident	108 Å²	108	77.9 Å²	77.9	51%	0.505	39%	0.385	S	S	.	.	H	α-helix	trans	-50.4	-36.2	169.7	49.6	175.3	-23.6	0	0	113.9	P1162 V1166 N1168	P1162-Q1164 HydrophobicContact CB-CG 3.78Å; P1162-Q1164 PolarHBondContact O-N 3.16Å; P1162-Q1164 VanDerWaalsContact O-N 3.11Å; Q1164-V1166 VanDerWaalsContact C-N 3.28Å; Q1164-V1166 PolarHBondContact O-N 3.17Å; Q1164-N1168 WeakPolarHBondContact O-CB 3.44Å; Q1164-N1168 VanDerWaalsContact O-CG 3.24Å; Q1164-N1168 PolarHBondContact O-N 3.33Å; Q1164-N1168 PolarHBondContact O-OD1 3.18Å
1165	W	90.3	Very high	73.9	Confident	13 Å²	13	81.2 Å²	81.2	5%	0.049	40%	0.401	C	S	.	.	H	α-helix	trans	-71.2	-21.5	178.5	-68.2	1.2	0	0	0	113.5	R1078 K1083 P1084 V1161 P1162 A1163 N1169	R1078-W1165 HydrophobicContact CB-CZ2 3.92Å; R1078-W1165 HydrophobicContact CG-CH2 4.37Å; R1078-W1165 HydrophobicContact CG-CZ2 3.87Å; R1078-W1165 PolarHBondContact O-NE1 3.47Å; K1083-W1165 HydrophobicContact CB-CD2 4.24Å; K1083-W1165 HydrophobicContact CB-CE3 3.6Å; K1083-W1165 HydrophobicContact CB-CZ3 3.98Å; K1083-W1165 HydrophobicContact CD-CB 4.33Å; K1083-W1165 WeakPolarHBondContact CE-O 3.49Å; K1083-W1165 HydrophobicContact CG-CB 4Å; K1083-W1165 HydrophobicContact CG-CD2 3.92Å; K1083-W1165 HydrophobicContact CG-CE3 3.71Å; K1083-W1165 HydrophobicContact CG-CG 4.06Å; P1084-W1165 HydrophobicContact CG-CH2 4.06Å; P1084-W1165 HydrophobicContact CG-CZ2 4.43Å; V1161-W1165 HydrophobicContact CB-CE3 3.71Å; V1161-W1165 HydrophobicContact CB-CZ3 4.13Å; V1161-W1165 HydrophobicContact CG1-CE3 4.19Å; V1161-W1165 HydrophobicContact CG1-CZ3 4.31Å; V1161-W1165 HydrophobicContact CG2-CB 4.23Å; V1161-W1165 HydrophobicContact CG2-CE3 4.18Å; P1162-W1165 HydrophobicContact CB-CD2 4.42Å; P1162-W1165 HydrophobicContact CB-CG 4.39Å; P1162-W1165 HydrophobicContact CG-CD2 4.11Å; P1162-W1165 HydrophobicContact CG-CE3 4.43Å; P1162-W1165 HydrophobicContact CG-CH2 4.32Å; P1162-W1165 HydrophobicContact CG-CZ2 4.03Å; P1162-W1165 VanDerWaalsContact O-CB 3.3Å; P1162-W1165 WeakPolarHBondContact O-CB 3.26Å; P1162-W1165 PolarHBondContact O-N 3Å; A1163-W1165 PolarHBondContact O-N 2.96Å; W1165-N1169 PolarHBondContact O-ND2 3.2Å
1166	V	85.8	Confident	73.1	Confident	50 Å²	50	82.5 Å²	82.5	30%	0.303	41%	0.409	S	S	.	.	H	α-helix	trans	-92	-42.3	177	-176	0	0	0	0	110.2	A963 V1161 A1163 Q1164 N1169	A963-V1166 HydrophobicContact CB-CB 4.26Å; A963-V1166 HydrophobicContact CB-CG2 3.93Å; V1161-V1166 HydrophobicContact CG2-CG2 3.79Å; A1163-V1166 PolarHBondContact O-N 2.96Å; Q1164-V1166 VanDerWaalsContact C-N 3.28Å; Q1164-V1166 PolarHBondContact O-N 3.17Å; V1166-N1169 WeakPolarHBondContact CA-ND2 3.35Å; V1166-N1169 PolarHBondContact O-ND2 2.9Å
1167	H	69.8	Low	72.1	Confident	102 Å²	102	78.2 Å²	78.2	47%	0.472	40%	0.398	S	S	.	.	H	α-helix	trans	-67	-40.3	-177.7	-72.6	98.8	0	0	0	113.9	A1163 N1169 R1170	A1163-H1167 PolarHBondContact O-N 3.09Å; A1163-H1167 PolarHBondContact O-ND1 2.9Å; H1167-N1169 PolarHBondContact O-N 2.92Å; H1167-N1169 VanDerWaalsContact O-N 3.08Å; H1167-R1170 VanDerWaalsContact O-CB 3.24Å; H1167-R1170 WeakPolarHBondContact O-CB 3.43Å; H1167-R1170 PolarHBondContact O-N 3.24Å; H1167-R1170 VanDerWaalsContact O-N 3.08Å
1168	N	57.4	Low	70.8	Confident	118 Å²	118	78.2 Å²	78.2	63%	0.631	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-63.8	-18	-175.6	-71.8	6.7	0	0	0	114.7	Q1164 R1170	Q1164-N1168 WeakPolarHBondContact O-CB 3.44Å; Q1164-N1168 VanDerWaalsContact O-CG 3.24Å; Q1164-N1168 PolarHBondContact O-N 3.33Å; Q1164-N1168 PolarHBondContact O-OD1 3.18Å; N1168-R1170 PolarHBondContact O-N 3.07Å
1169	N	48.2	Very low	69.4	Low	38 Å²	38	79.8 Å²	79.8	20%	0.203	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-79.9	3.3	177.2	-31.6	-99.9	0	0	0	112.9	K1083 W1165 V1166 H1167	K1083-N1169 PolarHBondContact NZ-OD1 3.22Å; W1165-N1169 PolarHBondContact O-ND2 3.2Å; V1166-N1169 WeakPolarHBondContact CA-ND2 3.35Å; V1166-N1169 PolarHBondContact O-ND2 2.9Å; H1167-N1169 PolarHBondContact O-N 2.92Å; H1167-N1169 VanDerWaalsContact O-N 3.08Å
1170	R	40.3	Very low	67.8	Low	195 Å²	195	83.2 Å²	83.2	74%	0.736	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-92.2	-18.1	-172.9	-162.8	172.1	-178.1	170.2	1.1	114.1	H1167 N1168	H1167-R1170 VanDerWaalsContact O-CB 3.24Å; H1167-R1170 WeakPolarHBondContact O-CB 3.43Å; H1167-R1170 PolarHBondContact O-N 3.24Å; H1167-R1170 VanDerWaalsContact O-N 3.08Å; N1168-R1170 PolarHBondContact O-N 3.07Å
1171	D	34.1	Very low	65.9	Low	160 Å²	160	86.7 Å²	86.7	86%	0.856	44%	0.443	S	S	*	.	S	Bend	trans	-90.7	0.3	175.5	-63.3	-33	0	0	0	112.9
1172	E	35.2	Very low	63.6	Low	171 Å²	171	93.9 Å²	93.9	80%	0.799	48%	0.48	S	S	*	.			trans	-101.5	22.1	175.2	-61.8	-171.1	119.6	0	0	113
1173	S	28.3	Very low	60.9	Low	168 Å²	168	102.4 Å²	102.4	100%	1.175	52%	0.523	S	S	*	.			trans	-113.2	0	-175.1	-62.1	0	0	0	0	113.5

Retrieved 1,173 of 1,173 residues in 243.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).