A0A096NHL2_PAPAN Loading...

Glutamate metabotropic receptor 4

G-protein coupled receptor for glutamate. Ligand binding causes a conformation change that triggers signaling via guanine nucleotide-binding proteins (G proteins) and modulates the activity of down-stream effectors. Signaling inhibits adenylate cyclase activity.

AlphaFold DB (A0A2K6E746), UniProt , Accession A0A096NHL2, Species PAPAN (Papio anubis, Olive baboon), Gene GRM4, Length 886 aa.

						>A0A096NHL2_PAPAN|A0A096NHL2|GRM4
MPGKRGLGWWWARLPLCLLLSLYGPWMPSSLGKPKGHPHMNSIRIDGDITLGGLFPVHGRGSEGKACGELKKEKGIHRLEAMLFALDRINNDPDLLPNITLGARILDTCSRDTHALEQSLTFVQALIEKDGTEVRCGSGGPPIITKPERVVGVIGASGSSVSIMVANILRLFKIPQISYASTAPDLSDNSRYDFFSRVVPSDTYQAQAMVDIVRALKWNYVSTVASEGSYGESGVEAFIQKSREDGGVCIAQSVKIPREPKAGEFDKIIRRLLETSNARAVIIFANEDDIRRVLEAARRANQTGHFFWMGSDSWGSKIAPVLHLEEVAEGAVTILPKRMSVRGFDRYFSSRTLDNNRRNIWFAEFWEDNFHCKLSRHALKKGSHVKKCTNRERIGQDSAYEQEGKVQFVIDAVYAMGHALHAMHRDLCPGRVGLCPRMDPVDGTQLLKYIRNVNFSGIAGNPVTFNENGDAPGRYDIYQYQLRNDSAEYKVIGSWTDHLHLRIERMHWPGSGQQLPRSICSLPCQPGERKKTVKGMPCCWHCEPCTGYQYQVDRYTCKTCPYDMRPTENRTGCRPIPIIKLEWDSPWAVLPLFLAVVGIAATLFVVITFVRYNDTPIVKASGRELSYVLLAGIFLCYATTFLMIAEPDLGTCSLRRIFLGLGMSISYAALLTKTNRIYRIFEQGKRSVSAPRFISPASQLAITFSLISLQLLGICVWFVVDPSHSVVDFQDQRTLDPRFARGVLKCDISDLSLICLLGYSMLLMVTCTVYAIKTRGVPETFNEAKPIGFTMYTTCIVWLAFIPIFFGTSQSADKLYIQTTTLTVSNVPKRKRSLKAVVTAATMSNKFTQKGNFRPNGEAKSELCENLEAPALATKQTYVTYTNHAI
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.3	Very low	31.5	Very low	248 Å²	248	172.5 Å²	172.5	100%	1.222	86%	0.857	S	S	*	*				0	162.5	0	-81.5	179.5	170.5	0	0	109.7
2	P	46.2	Very low	31.5	Very low	115 Å²	115	165.2 Å²	165.2	75%	0.747	84%	0.844	S	S	*	*			trans	-132.1	165.1	-148.7	41.8	-27.6	0	0	0	118.1
3	G	29.6	Very low	31.3	Very low	71 Å²	71	170.2 Å²	170.2	73%	0.732	85%	0.846	S	S	*	*			trans	-151.4	127	151.2	0	0	0	0	0	108
4	K	37.1	Very low	31.3	Very low	182 Å²	182	169.6 Å²	169.6	79%	0.791	85%	0.846	S	S	*	*			cis	64.9	124.1	36.1	-73.9	-178.1	176.5	174.9	0	112.6
5	R	34.1	Very low	32	Very low	230 Å²	230	165.7 Å²	165.7	87%	0.868	84%	0.838	S	S	*	*			cis	-136.4	149.1	2.6	-86.6	156.4	170.7	161.3	-6.3	108.2
6	G	31.1	Very low	31.9	Very low	71 Å²	71	166.3 Å²	166.3	73%	0.732	84%	0.843	S	S	*	*				97.7	150	78.8	0	0	0	0	0	109.8
7	L	30.6	Very low	31.9	Very low	177 Å²	177	164.2 Å²	164.2	93%	0.927	85%	0.845	S	S	*	*			cis	-134.6	-169.8	9.3	-123.3	64.7	0	0	0	108.8
8	G	27.3	Very low	32.1	Very low	56 Å²	56	164.5 Å²	164.5	58%	0.577	85%	0.847	S	S	*	*			cis	175.7	-158.3	4.6	0	0	0	0	0	110.3
9	W	29.3	Very low	32.2	Very low	252 Å²	252	164.8 Å²	164.8	96%	0.955	85%	0.85	S	S	*	*			trans	57.1	123.5	173.8	-73.2	57.1	0	0	0	118.4
10	W	27.7	Very low	32.2	Very low	236 Å²	236	165.6 Å²	165.6	89%	0.894	86%	0.855	S	S	*	*			cis	-166.7	138.2	-38.6	-120.6	54.3	0	0	0	105.7
11	W	27.6	Very low	32.3	Very low	259 Å²	259	162.9 Å²	162.9	98%	0.981	85%	0.85	S	S	*	*			trans	-140.1	133.7	171.1	-93.6	70.2	0	0	0	108.5
12	A	31.7	Very low	32.9	Very low	85 Å²	85	158.4 Å²	158.4	70%	0.702	83%	0.83	S	S	*	*			trans	172.8	150.9	137	0	0	0	0	0	114.5
13	R	28.8	Very low	32.4	Very low	231 Å²	231	164 Å²	164	87%	0.872	84%	0.838	S	S	*	*			trans	99	100.7	156.7	-53.9	-171.7	179.4	-159.1	-2.7	116.9
14	L	30.6	Very low	32.5	Very low	162 Å²	162	164.3 Å²	164.3	85%	0.848	84%	0.841	S	S	*	*				61.2	139.8	72	-79.6	161.7	0	0	0	114.5
15	P	42.2	Very low	32.5	Very low	111 Å²	111	161.1 Å²	161.1	72%	0.721	84%	0.839	S	S	*	*				-126.5	169.8	-68.1	36.8	-21.5	0	0	0	111.8
16	L	29.7	Very low	32.4	Very low	175 Å²	175	162.2 Å²	162.2	92%	0.916	84%	0.843	S	S	*	*			trans	-139.9	73	175.4	-152.5	84.1	0	0	0	113
17	C	33.3	Very low	32.3	Very low	131 Å²	131	167.7 Å²	167.7	89%	0.885	85%	0.852	S	S	*	*			trans	-142	51.4	178.9	-80.5	0	0	0	0	111.8
18	L	34.7	Very low	32.3	Very low	169 Å²	169	164.9 Å²	164.9	89%	0.885	84%	0.844	S	S	*	*	S	Bend	trans	-162.9	65.9	174.1	-118.2	170.6	0	0	0	111.6
19	L	34.1	Very low	32.3	Very low	171 Å²	171	168 Å²	168	90%	0.895	86%	0.857	S	S	*	*			trans	178.4	86	163.4	-104.4	163.2	0	0	0	110.3
20	L	32.4	Very low	32.1	Very low	180 Å²	180	161.4 Å²	161.4	94%	0.942	85%	0.85	S	S	*	*			trans	-175.7	55.5	155	-106.7	166.1	0	0	0	111.1
21	S	34.3	Very low	32.3	Very low	109 Å²	109	158.3 Å²	158.3	76%	0.762	85%	0.85	S	S	*	*			trans	-129.5	90.8	172.5	58.9	0	0	0	0	109.5
22	L	38.5	Very low	32.3	Very low	154 Å²	154	149.3 Å²	149.3	81%	0.806	84%	0.837	S	S	*	*			trans	179.5	147.3	159.5	-99.6	157.7	0	0	0	109.6
23	Y	35.3	Very low	32.1	Very low	233 Å²	233	154.1 Å²	154.1	91%	0.914	84%	0.842	S	S	*	*			trans	82.8	129.8	-178.4	-60.5	-72.9	0	0	0	118.9
24	G	31.6	Very low	32	Very low	76 Å²	76	149.1 Å²	149.1	78%	0.784	84%	0.839	S	S	*	*			trans	108.1	102.2	168.2	0	0	0	0	0	115.6
25	P	39.1	Very low	31.9	Very low	115 Å²	115	151.1 Å²	151.1	75%	0.747	84%	0.841	S	S	*	*			trans	-100	158.4	-179.4	3.5	17.6	0	0	0	115.2
26	W	31.9	Very low	31.1	Very low	254 Å²	254	148.9 Å²	148.9	96%	0.962	84%	0.839	S	S	*	*			trans	62.6	98.1	149.4	-72.9	41.3	0	0	0	119.3
27	M	27.2	Very low	30.9	Very low	186 Å²	186	148.6 Å²	148.6	92%	0.916	83%	0.832	S	S	*	*			trans	-136.5	150.7	132.6	-100.5	-156.9	172.6	0	0	110.2
28	P	31.8	Very low	30.6	Very low	118 Å²	118	148.1 Å²	148.1	77%	0.766	83%	0.827	S	S	*	*			trans	-77.6	132.8	-168.7	29.9	-34.7	0	0	0	112.8	S30	P28-S30 VanDerWaalsContact C-N 3.35Å; P28-S30 PolarHBondContact O-N 2.69Å
29	S	26.2	Very low	30.8	Very low	122 Å²	122	147.6 Å²	147.6	85%	0.853	82%	0.82	S	S	*	*			trans	-72.9	82.9	172.9	40.7	0	0	0	0	111.4	L31	S29-L31 PolarHBondContact O-N 2.87Å
30	S	26.1	Very low	31.4	Very low	113 Å²	113	146.3 Å²	146.3	79%	0.79	81%	0.811	S	S	*	*			trans	-64.3	102.2	165.6	60	0	0	0	0	109	P28 G32	P28-S30 VanDerWaalsContact C-N 3.35Å; P28-S30 PolarHBondContact O-N 2.69Å; S30-G32 VanDerWaalsContact C-N 3.27Å; S30-G32 PolarHBondContact O-N 3.4Å
31	L	31.2	Very low	33.1	Very low	171 Å²	171	141.7 Å²	141.7	90%	0.895	79%	0.787	S	S	*	*			trans	-67.9	88.9	178.7	-168.7	75.3	0	0	0	109	S29 K33	S29-L31 PolarHBondContact O-N 2.87Å; L31-K33 PolarHBondContact O-N 3.32Å
32	G	28	Very low	35.5	Very low	69 Å²	69	138.3 Å²	138.3	71%	0.711	76%	0.764	S	S	*	*			trans	-64	90.9	-177.3	0	0	0	0	0	111.1	S30	S30-G32 VanDerWaalsContact C-N 3.27Å; S30-G32 PolarHBondContact O-N 3.4Å
33	K	27.6	Very low	38	Very low	186 Å²	186	131.1 Å²	131.1	81%	0.809	73%	0.726	S	S	*	*			trans	-47.8	123.5	168.6	-70.7	-176.7	177	-178	0	108.2	L31 K35	L31-K33 PolarHBondContact O-N 3.32Å; K33-K35 PolarHBondContact O-N 3Å; K33-K35 VanDerWaalsContact O-N 3.1Å
34	P	26.9	Very low	40.7	Very low	126 Å²	126	126.4 Å²	126.4	82%	0.818	71%	0.707	S	S	*	*			trans	-59.1	122.4	172.6	24.5	-32.3	0	0	0	107.7	G36	P34-G36 PolarHBondContact O-N 2.99Å
35	K	27.8	Very low	43.6	Very low	205 Å²	205	124.6 Å²	124.6	89%	0.891	68%	0.679	S	S	*	*			trans	-75.5	61.7	177.5	-73.1	-173.9	176.8	179.4	0	110.6	K33 H37	K33-K35 PolarHBondContact O-N 3Å; K33-K35 VanDerWaalsContact O-N 3.1Å; K35-H37 PolarHBondContact O-N 2.83Å
36	G	25.2	Very low	46	Very low	64 Å²	64	124.5 Å²	124.5	66%	0.66	67%	0.672	S	S	*	*			trans	-64.5	118.5	157.7	0	0	0	0	0	107.9	P34	P34-G36 PolarHBondContact O-N 2.99Å
37	H	25.4	Very low	48.8	Very low	169 Å²	169	113.8 Å²	113.8	78%	0.782	64%	0.64	S	S	*	*			trans	-62.4	136.8	163	-72.4	-69	0	0	0	108.1	K35 H39	K35-H37 PolarHBondContact O-N 2.83Å; H37-H39 VanDerWaalsContact C-N 3.34Å; H37-H39 PolarHBondContact O-N 3.03Å
38	P	27.8	Very low	51.8	Low	120 Å²	120	109.4 Å²	109.4	78%	0.779	62%	0.62	S	S	*	*			trans	-68.8	95.8	172.8	28.8	-32.7	0	0	0	108.4	M40	P38-M40 PolarHBondContact O-N 3.1Å
39	H	37.8	Very low	54.8	Low	159 Å²	159	104 Å²	104	74%	0.736	59%	0.585	S	S	*	*			trans	-60.7	119.2	162.8	-92	-103	0	0	0	107.5	H37 N41	H37-H39 VanDerWaalsContact C-N 3.34Å; H37-H39 PolarHBondContact O-N 3.03Å; H39-N41 WeakPolarHBondContact CB-OD1 3.13Å; H39-N41 PolarHBondContact O-N 2.84Å; H39-N41 VanDerWaalsContact O-N 3.15Å; H39-N41 PolarHBondContact O-OD1 2.75Å
40	M	47.1	Very low	58	Low	143 Å²	143	98.9 Å²	98.9	70%	0.704	55%	0.548	S	S	*	.			trans	-72.8	102.6	167.1	-67.2	177.4	67.8	0	0	106.6	P38 S42 I360	P38-M40 PolarHBondContact O-N 3.1Å; M40-S42 PolarHBondContact O-N 3.41Å; M40-I360 HydrophobicContact CB-CD1 4.45Å; M40-I360 WeakPolarHBondContact O-CD1 3.37Å
41	N	69.1	Low	61.4	Low	83 Å²	83	93.5 Å²	93.5	44%	0.444	51%	0.511	S	S	.	.			trans	-80.5	3.5	-172.2	-70.3	-7.8	0	0	0	114.2	H39	H39-N41 WeakPolarHBondContact CB-OD1 3.13Å; H39-N41 PolarHBondContact O-N 2.84Å; H39-N41 VanDerWaalsContact O-N 3.15Å; H39-N41 PolarHBondContact O-OD1 2.75Å
42	S	84.7	Confident	64.5	Low	38 Å²	38	85.3 Å²	85.3	27%	0.266	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	142.4	-173.3	65.2	0	0	0	0	113.1	M40 I105	M40-S42 PolarHBondContact O-N 3.41Å; S42-I105 CarbonylContact C-O 3.54Å; S42-I105 VanDerWaalsContact CA-O 3.26Å; S42-I105 WeakPolarHBondContact CA-O 3.25Å
43	I	90.6	Very high	67.7	Low	4 Å²	4	82 Å²	82	2%	0.021	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	141	160.5	-62.4	165.1	0	0	0	108.2	I45 L79 R104 I105 R358 N359 I360 W361	I43-I45 HydrophobicContact CG2-CD1 4.08Å; I43-I45 HydrophobicContact CG2-CG1 4.22Å; I43-L79 HydrophobicContact CD1-CD1 3.98Å; I43-L79 HydrophobicContact CD1-CD2 3.87Å; I43-L79 HydrophobicContact CD1-CG 4.42Å; I43-R104 CarbonylContact O-C 3.6Å; I43-R104 WeakPolarHBondContact O-CA 3.08Å; I43-I105 HydrophobicContact CB-CB 4.25Å; I43-I105 PolarHBondContact N-O 3.06Å; I43-I105 PolarHBondContact O-N 3.26Å; I43-R358 WeakPolarHBondContact CG2-O 2.99Å; I43-N359 HydrophobicContact CD1-CB 4.14Å; I43-I360 HydrophobicContact CG1-CD1 4.33Å; I43-I360 HydrophobicContact CG1-CG1 3.98Å; I43-W361 HydrophobicContact CD1-CE3 3.7Å; I43-W361 HydrophobicContact CD1-CZ3 3.57Å; I43-W361 HydrophobicContact CG1-CE3 4.11Å; I43-W361 HydrophobicContact CG1-CH2 4.49Å; I43-W361 HydrophobicContact CG1-CZ3 3.74Å
44	R	91.3	Very high	71	Confident	133 Å²	133	73.2 Å²	73.2	50%	0.502	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.6	168.6	173.5	177.4	167.6	139.5	-7.5	109.1	D46 A103 E148	R44-D46 IonicContact CZ-OD1 3.42Å; R44-D46 IonicContact NE-OD1 2.7Å; R44-D46 PolarHBondContact NE-OD1 3.28Å; R44-D46 IonicContact NH2-OD1 3.88Å; R44-D46 PolarHBondContact NH2-OD1 3.25Å; R44-A103 CarbonylContact C-O 3.47Å; R44-A103 WeakPolarHBondContact CA-O 3.36Å; R44-E148 WeakPolarHBondContact CD-OE2 3.28Å; R44-E148 IonicContact CZ-OE2 2.74Å; R44-E148 IonicContact NE-OE2 2.64Å; R44-E148 VanDerWaalsContact NH1-CD 3.33Å; R44-E148 IonicContact NH1-OE2 3.8Å; R44-E148 PolarHBondContact NH1-OE2 2.95Å
45	I	92.4	Very high	74.2	Confident	39 Å²	39	67.2 Å²	67.2	20%	0.2	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	115.4	171.7	-52.5	-64.4	0	0	0	105.7	I43 L83 G102 A103 R358	I43-I45 HydrophobicContact CG2-CD1 4.08Å; I43-I45 HydrophobicContact CG2-CG1 4.22Å; I45-L83 HydrophobicContact CD1-CD2 4.26Å; I45-L83 HydrophobicContact CG1-CD2 3.94Å; I45-G102 CarbonylContact O-C 3.57Å; I45-G102 WeakPolarHBondContact O-CA 3.42Å; I45-A103 HydrophobicContact CB-CB 4.47Å; I45-A103 PolarHBondContact N-O 2.95Å; I45-A103 PolarHBondContact O-N 3.46Å; I45-R358 HydrophobicContact CD1-CB 3.96Å; I45-R358 HydrophobicContact CD1-CG 4.47Å
46	D	90.6	Very high	77.4	Confident	113 Å²	113	57.8 Å²	57.8	60%	0.604	32%	0.317	S	S	*	.			trans	-69.6	149	179.9	-60	-72.8	0	0	0	112	R44	R44-D46 IonicContact CZ-OD1 3.42Å; R44-D46 IonicContact NE-OD1 2.7Å; R44-D46 PolarHBondContact NE-OD1 3.28Å; R44-D46 IonicContact NH2-OD1 3.88Å; R44-D46 PolarHBondContact NH2-OD1 3.25Å
47	G	90.8	Very high	80.6	Confident	28 Å²	28	54.8 Å²	54.8	29%	0.289	29%	0.285	S	S	.	.			trans	177.6	167.4	176.3	0	0	0	0	0	111.4	I49 T100	G47-I49 VanDerWaalsContact C-N 3.29Å; G47-I49 PolarHBondContact O-N 2.96Å; G47-T100 VanDerWaalsContact CA-OG1 3.28Å; G47-T100 WeakPolarHBondContact CA-OG1 3.45Å
48	D	90.7	Very high	83.7	Confident	94 Å²	94	47.5 Å²	47.5	50%	0.503	25%	0.252	S	S	.	.	S	Bend	trans	-62.5	-34.1	-175.9	-57	-69.6	0	0	0	112.8	I99 T100	D48-I99 HydrophobicContact CB-CG2 4.24Å; D48-T100 PolarHBondContact N-O 2.79Å; D48-T100 PolarHBondContact N-OG1 2.6Å; D48-T100 WeakPolarHBondContact OD2-CB 3.28Å; D48-T100 PolarHBondContact OD2-N 2.67Å; D48-T100 PolarHBondContact OD2-OG1 3.42Å
49	I	93.6	Very high	86.4	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.9	176.7	-57.8	-178.1	0	0	0	109.1	G47 I99 T100 L101 G102 V151 L420 L434	G47-I49 VanDerWaalsContact C-N 3.29Å; G47-I49 PolarHBondContact O-N 2.96Å; I49-I99 HydrophobicContact CD1-CG2 3.81Å; I49-I99 HydrophobicContact CG1-CG2 4.05Å; I49-T100 PolarHBondContact N-O 3.42Å; I49-T100 VanDerWaalsContact N-O 3.1Å; I49-L101 HydrophobicContact CB-CD2 3.95Å; I49-L101 HydrophobicContact CG2-CD2 4.27Å; I49-L101 CarbonylContact O-C 3.27Å; I49-L101 WeakPolarHBondContact O-CA 3.46Å; I49-G102 PolarHBondContact O-N 3.01Å; I49-V151 HydrophobicContact CG2-CB 4.34Å; I49-V151 HydrophobicContact CG2-CG1 4.04Å; I49-V151 HydrophobicContact CG2-CG2 3.36Å; I49-L420 HydrophobicContact CD1-CD1 4.35Å; I49-L420 HydrophobicContact CD1-CD2 4.18Å; I49-L420 HydrophobicContact CG2-CD1 4.06Å; I49-L434 HydrophobicContact CD1-CD1 3.98Å; I49-L434 HydrophobicContact CG1-CD1 4.29Å
50	T	94.1	Very high	88.4	Confident	15 Å²	15	40.8 Å²	40.8	9%	0.092	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127	-178.9	-54.2	0	0	0	0	112.5	R104 E148 V150 V151	T50-R104 HydrophobicContact CG2-CB 4.1Å; T50-E148 HydrophobicContact CG2-CG 3.99Å; T50-E148 WeakPolarHBondContact CG2-OE1 3.38Å; T50-V150 HydrophobicContact CG2-CG2 4.26Å; T50-V150 WeakPolarHBondContact O-CA 3.19Å; T50-V151 PolarHBondContact O-N 3.44Å
51	L	96.6	Very high	89.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	136.6	171.1	-58	-173.5	0	0	0	112.1	M82 L86 L101 G102 A103 R104 V151 M416	L51-M82 HydrophobicContact CB-CE 3.99Å; L51-L86 HydrophobicContact CD1-CD2 4.35Å; L51-L101 HydrophobicContact CD1-CD1 4.45Å; L51-G102 PolarHBondContact N-O 3.33Å; L51-A103 CarbonylContact O-C 3.53Å; L51-A103 WeakPolarHBondContact O-CA 3.48Å; L51-R104 PolarHBondContact O-N 3.46Å; L51-V151 HydrophobicContact CD2-CG2 3.78Å; L51-M416 HydrophobicContact CD1-CB 4.25Å; L51-M416 HydrophobicContact CD1-CG 3.82Å; L51-M416 HydrophobicContact CD2-CG 3.63Å; L51-M416 HydrophobicContact CD2-SD 4.41Å; L51-M416 HydrophobicContact CG-CG 4.41Å
52	G	95.8	Very high	90.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	140.3	172.3	0	0	0	0	0	110.9	R104 G152 V153 I154	G52-R104 CarbonylContact C-O 3.29Å; G52-R104 WeakPolarHBondContact CA-O 2.88Å; G52-G152 PolarHBondContact N-O 3.4Å; G52-V153 CarbonylContact O-C 3.53Å; G52-V153 WeakPolarHBondContact O-CA 3.44Å; G52-I154 PolarHBondContact O-N 2.91Å
53	G	96.3	Very high	89.2	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.8	175.2	0	0	0	0	0	112	R104 I105 L106	G53-R104 PolarHBondContact N-O 2.93Å; G53-I105 WeakPolarHBondContact O-CA 3.49Å; G53-L106 PolarHBondContact O-N 3.11Å
54	L	96.1	Very high	88.1	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	107.6	178	-68.8	179.6	0	0	0	111.1	L106 T108 F122 V153 I154 A156 V165 Y179	L54-L106 HydrophobicContact CD2-CB 4.05Å; L54-L106 HydrophobicContact CD2-CD1 4.4Å; L54-T108 HydrophobicContact CB-CG2 3.91Å; L54-T108 HydrophobicContact CD2-CG2 4.11Å; L54-T108 HydrophobicContact CG-CG2 4.5Å; L54-F122 HydrophobicContact CD1-CE2 4.21Å; L54-F122 HydrophobicContact CD2-CE2 3.77Å; L54-F122 HydrophobicContact CD2-CZ 3.9Å; L54-F122 HydrophobicContact CG-CE2 3.91Å; L54-F122 HydrophobicContact CG-CZ 4.21Å; L54-V153 HydrophobicContact CD1-CG1 3.86Å; L54-V153 HydrophobicContact CG-CG1 4.02Å; L54-I154 PolarHBondContact N-O 3.24Å; L54-A156 HydrophobicContact CB-CB 4.07Å; L54-A156 HydrophobicContact CD1-CB 4.31Å; L54-V165 HydrophobicContact CD1-CB 4.4Å; L54-V165 HydrophobicContact CD1-CG1 3.76Å; L54-V165 HydrophobicContact CD1-CG2 3.98Å; L54-Y179 PolarHBondContact O-OH 3.14Å
55	F	95.5	Very high	87.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	152.9	-179.7	-59.3	-80.9	0	0	0	111.8	V57 R78 L79 M82 I105 L106 T108 Y179 V409	F55-V57 VanDerWaalsContact C-N 3.33Å; F55-V57 HydrophobicContact CB-CG2 4.18Å; F55-V57 PolarHBondContact O-N 2.99Å; F55-R78 HydrophobicContact CD1-CB 3.74Å; F55-R78 HydrophobicContact CE1-CB 4.02Å; F55-R78 WeakPolarHBondContact CE1-O 3.31Å; F55-L79 HydrophobicContact CB-CB 4.47Å; F55-L79 HydrophobicContact CD2-CB 4.11Å; F55-L79 HydrophobicContact CD2-CG 4.28Å; F55-L79 HydrophobicContact CG-CB 4.12Å; F55-M82 HydrophobicContact CE2-CB 4.19Å; F55-M82 HydrophobicContact CE2-SD 3.64Å; F55-M82 HydrophobicContact CZ-CB 3.74Å; F55-M82 HydrophobicContact CZ-CG 4.37Å; F55-M82 HydrophobicContact CZ-SD 3.74Å; F55-I105 HydrophobicContact CD2-CG2 3.55Å; F55-I105 HydrophobicContact CE2-CG2 3.9Å; F55-L106 PolarHBondContact N-O 3.18Å; F55-T108 VanDerWaalsContact C-OG1 3.27Å; F55-T108 PolarHBondContact O-N 3.11Å; F55-T108 PolarHBondContact O-OG1 3.44Å; F55-Y179 AromaticContact CD1-CE1 3.96Å; F55-Y179 HydrophobicContact CD1-CE1 3.96Å; F55-Y179 AromaticContact CD1-CZ 3.67Å; F55-Y179 WeakPolarHBondContact CD1-OH 3.37Å; F55-Y179 HydrophobicContact CE1-CD1 4.33Å; F55-Y179 AromaticContact CE1-CE1 3.53Å; F55-Y179 HydrophobicContact CE1-CE1 3.53Å; F55-Y179 AromaticContact CE1-CZ 3.7Å; F55-Y179 HydrophobicContact CZ-CE1 4.24Å; F55-V409 HydrophobicContact CE1-CG1 3.87Å; F55-V409 HydrophobicContact CE1-CG2 4.35Å; F55-V409 HydrophobicContact CZ-CG1 4.05Å
56	P	92.9	Very high	86.7	Confident	8 Å²	8	47 Å²	47	5%	0.052	28%	0.275	C	S	.	.			trans	-89.2	74.4	170.7	35.6	-31.5	0	0	0	108.8	H58 K74 G75 T108	P56-H58 VanDerWaalsContact C-N 3.27Å; P56-K74 WeakPolarHBondContact CG-O 3.41Å; P56-G75 WeakPolarHBondContact O-CA 3.38Å; P56-T108 VanDerWaalsContact CA-OG1 3.29Å; P56-T108 WeakPolarHBondContact CA-OG1 3.18Å
57	V	92.9	Very high	86.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.259	C	S	.	.			trans	-64.7	-38.7	179.2	-172.7	0	0	0	0	109.6	F55 L70 K71 I76 L79 D107 W361	F55-V57 VanDerWaalsContact C-N 3.33Å; F55-V57 HydrophobicContact CB-CG2 4.18Å; F55-V57 PolarHBondContact O-N 2.99Å; V57-L70 HydrophobicContact CG1-CD1 3.74Å; V57-K71 PolarHBondContact O-N 3.35Å; V57-I76 HydrophobicContact CG1-CD1 3.77Å; V57-I76 HydrophobicContact CG1-CG1 4.5Å; V57-L79 HydrophobicContact CG2-CD1 3.73Å; V57-D107 HydrophobicContact CB-CB 4.19Å; V57-D107 HydrophobicContact CG2-CB 4.21Å; V57-D107 PolarHBondContact N-OD1 3.22Å; V57-W361 HydrophobicContact CG1-CB 3.92Å; V57-W361 HydrophobicContact CG1-CD2 3.96Å; V57-W361 HydrophobicContact CG1-CE3 4.29Å; V57-W361 HydrophobicContact CG1-CG 3.8Å; V57-W361 HydrophobicContact CG2-CD2 4.47Å; V57-W361 HydrophobicContact CG2-CE3 4.14Å; V57-W361 HydrophobicContact CG2-CZ3 4.3Å
58	H	90.6	Very high	86.3	Confident	16 Å²	16	43.4 Å²	43.4	7%	0.074	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	159.8	170.4	-60.9	87.4	0	0	0	114.1	P56 C67 G68 E69 D107 C109 S110 W361 E364	P56-H58 VanDerWaalsContact C-N 3.27Å; H58-C67 HydrophobicContact CB-CB 4.01Å; H58-G68 PolarHBondContact CD2-O 2.88Å; H58-G68 VanDerWaalsContact CD2-O 3.28Å; H58-E69 CarbonylContact C-O 3.58Å; H58-E69 WeakPolarHBondContact CA-O 3.43Å; H58-D107 IonicContact CE1-OD2 2.7Å; H58-D107 IonicContact CG-OD2 2.72Å; H58-D107 PolarHBondContact N-OD1 3.08Å; H58-D107 PolarHBondContact N-OD2 2.69Å; H58-D107 VanDerWaalsContact N-OD2 3.09Å; H58-D107 IonicContact ND1-OD2 2.76Å; H58-D107 PolarHBondContact ND1-OD2 2.87Å; H58-C109 CarbonylContact O-C 3.58Å; H58-C109 VanDerWaalsContact O-C 3.27Å; H58-C109 WeakPolarHBondContact O-CA 3.49Å; H58-S110 PolarHBondContact O-N 3.36Å; H58-S110 PolarHBondContact O-OG 3.44Å; H58-W361 AromaticContact CE1-CD1 3.8Å; H58-W361 AromaticContact CE1-NE1 3.99Å; H58-E364 IonicContact NE2-OE1 3.79Å; H58-E364 IonicContact NE2-OE2 2.68Å
59	G	84.1	Confident	86.1	Confident	9 Å²	9	47.2 Å²	47.2	9%	0.093	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	179.1	161.9	0	0	0	0	0	113.1	G68 E69 C109	G59-G68 PolarHBondContact O-N 3.17Å; G59-E69 PolarHBondContact N-O 2.87Å; G59-C109 CarbonylContact C-O 3.51Å; G59-C109 VanDerWaalsContact C-O 3.29Å; G59-C109 VanDerWaalsContact O-O 3.07Å
60	R	80.1	Confident	86	Confident	130 Å²	130	48 Å²	48	49%	0.491	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	137.1	171.9	-64.5	-177.1	177.7	169.9	0.2	109.3	C109 S110	R60-C109 WeakPolarHBondContact CA-O 3.32Å; R60-C109 PolarHBondContact N-O 2.94Å; R60-S110 PolarHBondContact NE-O 3.42Å
61	G	78.4	Confident	85.7	Confident	23 Å²	23	50.1 Å²	50.1	24%	0.237	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-73.4	146.4	173.4	0	0	0	0	0	112.2	C67	G61-C67 WeakPolarHBondContact CA-O 3.48Å
62	S	78	Confident	85.2	Confident	87 Å²	87	52.8 Å²	52.8	61%	0.608	30%	0.297	S	S	*	.	S	Bend	trans	-84.9	155.6	163.6	52.4	0	0	0	0	110.9	G64 K65	S62-G64 PolarHBondContact O-N 3.36Å; S62-K65 WeakPolarHBondContact O-CB 3.46Å; S62-K65 PolarHBondContact O-N 3.48Å
63	E	62.8	Low	84.7	Confident	196 Å²	196	57.5 Å²	57.5	92%	0.916	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.3	68.7	166.7	-60.3	-170.4	152.7	0	0	114.9	K65	E63-K65 PolarHBondContact O-N 2.9Å; E63-K65 VanDerWaalsContact O-N 3.12Å
64	G	66.4	Low	84.1	Confident	88 Å²	88	59.8 Å²	59.8	91%	0.907	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	-13.5	172.6	0	0	0	0	0	115.8	S62	S62-G64 PolarHBondContact O-N 3.36Å
65	K	78.9	Confident	83.9	Confident	144 Å²	144	59.8 Å²	59.8	63%	0.626	33%	0.329	S	S	*	.			trans	-71.8	139.7	172.8	-65.6	177.1	-179.9	173.8	0	110.9	S62 E63 C67	S62-K65 WeakPolarHBondContact O-CB 3.46Å; S62-K65 PolarHBondContact O-N 3.48Å; E63-K65 PolarHBondContact O-N 2.9Å; E63-K65 VanDerWaalsContact O-N 3.12Å; K65-C67 VanDerWaalsContact C-N 3.33Å
66	A	75.3	Confident	83.8	Confident	31 Å²	31	59.8 Å²	59.8	26%	0.256	33%	0.329	S	S	.	.	S	Bend	trans	-68.6	-33.2	177.6	0	0	0	0	0	113.1	R111	A66-R111 PolarHBondContact O-NE 3.37Å
67	C	86.9	Confident	83.9	Confident	41 Å²	41	59.9 Å²	59.9	28%	0.277	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	148	-168.9	-51.3	0	0	0	0	110.3	H58 G61 K65 C109	H58-C67 HydrophobicContact CB-CB 4.01Å; G61-C67 WeakPolarHBondContact CA-O 3.48Å; K65-C67 VanDerWaalsContact C-N 3.33Å; C67-C109 HydrophobicContact CB-CB 3.68Å; C67-C109 WeakPolarHBondContact CB-SG 3.43Å; C67-C109 WeakPolarHBondContact SG-CB 3.44Å; C67-C109 CovalentContact SG-SG 2.03Å; C67-C109 PolarHBondContact SG-SG 3.21Å
68	G	86.7	Confident	84	Confident	26 Å²	26	60.5 Å²	60.5	27%	0.268	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-146.9	179.1	0	0	0	0	0	112	H58 G59	H58-G68 PolarHBondContact CD2-O 2.88Å; H58-G68 VanDerWaalsContact CD2-O 3.28Å; G59-G68 PolarHBondContact O-N 3.17Å
69	E	87.1	Confident	84.2	Confident	174 Å²	174	59.8 Å²	59.8	81%	0.813	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	155.7	-179.5	-61.5	177.2	158.1	0	0	112.9	H58 G59	H58-E69 CarbonylContact C-O 3.58Å; H58-E69 WeakPolarHBondContact CA-O 3.43Å; G59-E69 PolarHBondContact N-O 2.87Å
70	L	89.9	Confident	84.8	Confident	21 Å²	21	59.3 Å²	59.3	11%	0.11	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	142.5	-179.2	-169.7	80.2	0	0	0	112.2	V57 I76 E364 F365	V57-L70 HydrophobicContact CG1-CD1 3.74Å; L70-I76 HydrophobicContact CD1-CD1 4.37Å; L70-I76 HydrophobicContact CD1-CG1 4.39Å; L70-I76 HydrophobicContact CD2-CG1 4.35Å; L70-I76 HydrophobicContact CG-CG1 4.49Å; L70-E364 HydrophobicContact CD1-CG 4.46Å; L70-E364 HydrophobicContact CD2-CG 4.33Å; L70-F365 HydrophobicContact CD2-CB 3.84Å; L70-F365 HydrophobicContact CD2-CD2 4.42Å
71	K	88.1	Confident	85.6	Confident	59 Å²	59	53.1 Å²	53.1	26%	0.257	30%	0.299	S	S	.	.			trans	-105.2	87.1	175.4	-70.9	-178	169.1	179.8	0	111.3	V57 E73 K74 G75 I76 S110	V57-K71 PolarHBondContact O-N 3.35Å; K71-E73 PolarHBondContact O-N 3.27Å; K71-K74 HydrophobicContact CB-CB 4.37Å; K71-G75 VanDerWaalsContact O-CA 3.25Å; K71-G75 WeakPolarHBondContact O-CA 3.49Å; K71-G75 PolarHBondContact O-N 3.29Å; K71-I76 PolarHBondContact O-N 3.44Å; K71-I76 VanDerWaalsContact O-N 3.12Å; K71-S110 PolarHBondContact NZ-OG 3.14Å
72	K	87.1	Confident	86.5	Confident	56 Å²	56	52 Å²	52	24%	0.243	29%	0.288	C	S	.	.	I	π-helix	trans	-38.8	-67.8	175.5	-63.7	-179	-172.9	176.1	0	112.6	I76 H77 F365 D368	K72-I76 WeakPolarHBondContact O-CB 3.25Å; K72-I76 PolarHBondContact O-N 3.4Å; K72-H77 PolarHBondContact O-CD2 3.38Å; K72-H77 PolarHBondContact O-N 2.96Å; K72-F365 HydrophobicContact CB-CD2 4.31Å; K72-F365 HydrophobicContact CB-CE2 3.99Å; K72-F365 HydrophobicContact CG-CD2 4.12Å; K72-F365 HydrophobicContact CG-CE2 4.06Å; K72-D368 WeakPolarHBondContact CE-OD1 3.45Å; K72-D368 WeakPolarHBondContact CE-OD2 3.22Å; K72-D368 PolarHBondContact NZ-O 2.88Å; K72-D368 IonicContact NZ-OD1 3.12Å; K72-D368 PolarHBondContact NZ-OD1 3.21Å; K72-D368 IonicContact NZ-OD2 3.89Å
73	E	84.6	Confident	87.4	Confident	99 Å²	99	48 Å²	48	46%	0.463	26%	0.259	S	S	.	.	I	π-helix	trans	-72.2	-59.7	-179	-68.1	160.7	-145.4	0	0	112.5	K71 G75 H77 E403	K71-E73 PolarHBondContact O-N 3.27Å; E73-G75 VanDerWaalsContact C-N 3.26Å; E73-G75 PolarHBondContact O-N 3.02Å; E73-H77 VanDerWaalsContact O-CB 3.31Å; E73-H77 WeakPolarHBondContact O-CB 3.39Å; E73-H77 PolarHBondContact O-N 2.94Å; E73-E403 HydrophobicContact CB-CB 3.99Å; E73-E403 HydrophobicContact CB-CG 3.84Å
74	K	84.4	Confident	89	Confident	48 Å²	48	39.1 Å²	39.1	21%	0.209	22%	0.218	C	C	.	.	I	π-helix	trans	-74.8	-17.8	-164.2	-59.5	164.8	-163.2	174.9	0	113.2	P56 K71 R78 E287 E403	P56-K74 WeakPolarHBondContact CG-O 3.41Å; K71-K74 HydrophobicContact CB-CB 4.37Å; K74-R78 VanDerWaalsContact O-CD 3.29Å; K74-R78 WeakPolarHBondContact O-CD 3.45Å; K74-R78 PolarHBondContact O-NE 3.2Å; K74-R78 PolarHBondContact O-NH1 3.28Å; K74-E287 WeakPolarHBondContact CE-OE2 3.25Å; K74-E287 IonicContact NZ-OE1 3.07Å; K74-E287 PolarHBondContact NZ-OE1 3.11Å; K74-E287 IonicContact NZ-OE2 3.51Å; K74-E287 PolarHBondContact NZ-OE2 3.19Å; K74-E403 HydrophobicContact CG-CG 4.44Å
75	G	90.8	Very high	90.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-105.7	-71.1	174.8	0	0	0	0	0	111.7	P56 K71 E73 R78 L79	P56-G75 WeakPolarHBondContact O-CA 3.38Å; K71-G75 VanDerWaalsContact O-CA 3.25Å; K71-G75 WeakPolarHBondContact O-CA 3.49Å; K71-G75 PolarHBondContact O-N 3.29Å; E73-G75 VanDerWaalsContact C-N 3.26Å; E73-G75 PolarHBondContact O-N 3.02Å; G75-R78 PolarHBondContact O-N 2.74Å; G75-L79 WeakPolarHBondContact O-CB 3.28Å; G75-L79 PolarHBondContact O-N 2.9Å
76	I	94	Very high	91.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	I	π-helix	trans	-67.2	-44.3	-168.8	-59.8	-71	0	0	0	112.6	V57 L70 K71 K72 R78 L79 E80 F348 W361 F362 F365	V57-I76 HydrophobicContact CG1-CD1 3.77Å; V57-I76 HydrophobicContact CG1-CG1 4.5Å; L70-I76 HydrophobicContact CD1-CD1 4.37Å; L70-I76 HydrophobicContact CD1-CG1 4.39Å; L70-I76 HydrophobicContact CD2-CG1 4.35Å; L70-I76 HydrophobicContact CG-CG1 4.49Å; K71-I76 PolarHBondContact O-N 3.44Å; K71-I76 VanDerWaalsContact O-N 3.12Å; K72-I76 WeakPolarHBondContact O-CB 3.25Å; K72-I76 PolarHBondContact O-N 3.4Å; I76-R78 PolarHBondContact O-N 3.34Å; I76-L79 PolarHBondContact O-N 3.08Å; I76-E80 HydrophobicContact CG2-CG 4.18Å; I76-E80 VanDerWaalsContact O-CB 3.32Å; I76-E80 WeakPolarHBondContact O-CB 3.28Å; I76-E80 WeakPolarHBondContact O-CG 3.46Å; I76-E80 PolarHBondContact O-N 3.09Å; I76-F348 HydrophobicContact CG2-CE2 4.22Å; I76-F348 HydrophobicContact CG2-CZ 4.36Å; I76-W361 HydrophobicContact CD1-CB 3.83Å; I76-F362 HydrophobicContact CG2-CD2 4.45Å; I76-F365 HydrophobicContact CB-CD2 4.22Å; I76-F365 HydrophobicContact CD1-CB 4.49Å; I76-F365 HydrophobicContact CG1-CB 4.18Å; I76-F365 HydrophobicContact CG1-CD2 4.18Å; I76-F365 HydrophobicContact CG1-CG 4.38Å; I76-F365 HydrophobicContact CG2-CB 4.46Å; I76-F365 HydrophobicContact CG2-CD1 4.43Å; I76-F365 HydrophobicContact CG2-CD2 4.13Å; I76-F365 HydrophobicContact CG2-CG 4.07Å
77	H	94.7	Very high	92.3	Very high	10 Å²	10	28.9 Å²	28.9	5%	0.046	15%	0.145	C	C	.	.	I	π-helix	trans	-60.8	-36	177.9	-59.9	-178.9	0	0	0	111.5	K72 E73 A81 F344 F348 Y400 E401 E403 V406	K72-H77 PolarHBondContact O-CD2 3.38Å; K72-H77 PolarHBondContact O-N 2.96Å; E73-H77 VanDerWaalsContact O-CB 3.31Å; E73-H77 WeakPolarHBondContact O-CB 3.39Å; E73-H77 PolarHBondContact O-N 2.94Å; H77-A81 WeakPolarHBondContact O-CB 3.36Å; H77-A81 PolarHBondContact O-N 2.82Å; H77-F344 HydrophobicContact CB-CE1 4.42Å; H77-F344 HydrophobicContact CB-CZ 4.45Å; H77-F344 VanDerWaalsContact O-CZ 3.23Å; H77-F344 WeakPolarHBondContact O-CZ 3.15Å; H77-F348 AromaticContact CD2-CE1 3.75Å; H77-F348 AromaticContact CD2-CE2 3.69Å; H77-F348 AromaticContact CD2-CZ 3.26Å; H77-F348 WeakPolarHBondContact CD2-CZ 3.07Å; H77-F348 AromaticContact NE2-CE1 3.61Å; H77-F348 AromaticContact NE2-CZ 3.57Å; H77-Y400 AromaticContact CE1-CE2 3.68Å; H77-Y400 AromaticContact NE2-CE2 3.92Å; H77-E401 PolarHBondContact CE1-O 3.11Å; H77-E401 VanDerWaalsContact CE1-O 3.31Å; H77-E403 HydrophobicContact CB-CB 4.17Å; H77-V406 HydrophobicContact CB-CG2 4.04Å
78	R	95.3	Very high	92.7	Very high	13 Å²	13	32.3 Å²	32.3	5%	0.049	15%	0.152	C	C	.	.	H	α-helix	trans	-75.1	-41.1	179.8	-61.3	-168	-168.5	151	-14.3	113.1	F55 K74 G75 I76 A81 M82 S157 E403 V409	F55-R78 HydrophobicContact CD1-CB 3.74Å; F55-R78 HydrophobicContact CE1-CB 4.02Å; F55-R78 WeakPolarHBondContact CE1-O 3.31Å; K74-R78 VanDerWaalsContact O-CD 3.29Å; K74-R78 WeakPolarHBondContact O-CD 3.45Å; K74-R78 PolarHBondContact O-NE 3.2Å; K74-R78 PolarHBondContact O-NH1 3.28Å; G75-R78 PolarHBondContact O-N 2.74Å; I76-R78 PolarHBondContact O-N 3.34Å; R78-A81 WeakPolarHBondContact O-CB 3.49Å; R78-A81 PolarHBondContact O-N 2.78Å; R78-M82 PolarHBondContact O-N 3.48Å; R78-S157 PolarHBondContact NH1-OG 3.5Å; R78-E403 IonicContact CZ-OE1 3.55Å; R78-E403 IonicContact CZ-OE2 3.68Å; R78-E403 VanDerWaalsContact NE-CD 3.29Å; R78-E403 IonicContact NE-OE1 3.83Å; R78-E403 IonicContact NE-OE2 2.91Å; R78-E403 PolarHBondContact NE-OE2 3.46Å; R78-E403 VanDerWaalsContact NH2-CD 3.34Å; R78-E403 IonicContact NH2-OE1 2.71Å; R78-E403 PolarHBondContact NH2-OE1 3.12Å; R78-E403 IonicContact NH2-OE2 2.66Å; R78-V409 HydrophobicContact CB-CG2 3.96Å; R78-V409 HydrophobicContact CG-CG2 4.19Å
79	L	96	Very high	93.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.7	-47.9	173.5	-177.4	159.9	0	0	0	110.6	I43 F55 V57 G75 I76 A81 M82 L83 I105 N359 W361	I43-L79 HydrophobicContact CD1-CD1 3.98Å; I43-L79 HydrophobicContact CD1-CD2 3.87Å; I43-L79 HydrophobicContact CD1-CG 4.42Å; F55-L79 HydrophobicContact CB-CB 4.47Å; F55-L79 HydrophobicContact CD2-CB 4.11Å; F55-L79 HydrophobicContact CD2-CG 4.28Å; F55-L79 HydrophobicContact CG-CB 4.12Å; V57-L79 HydrophobicContact CG2-CD1 3.73Å; G75-L79 WeakPolarHBondContact O-CB 3.28Å; G75-L79 PolarHBondContact O-N 2.9Å; I76-L79 PolarHBondContact O-N 3.08Å; L79-A81 PolarHBondContact O-N 2.99Å; L79-M82 PolarHBondContact O-N 2.88Å; L79-L83 HydrophobicContact CD2-CD1 3.69Å; L79-L83 HydrophobicContact CD2-CG 4.29Å; L79-L83 PolarHBondContact O-N 3.42Å; L79-I105 HydrophobicContact CD1-CG2 4.01Å; L79-I105 HydrophobicContact CG-CD1 4.35Å; L79-I105 HydrophobicContact CG-CG2 4.15Å; L79-N359 HydrophobicContact CD2-CB 4.46Å; L79-W361 HydrophobicContact CD1-CE3 3.64Å; L79-W361 HydrophobicContact CD1-CZ3 3.71Å
80	E	96.3	Very high	93.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.7	-28.7	175.4	-73.6	-64.9	153.7	0	0	112.6	I76 L83 F84 F344 Y347 F348 N356 N359	I76-E80 HydrophobicContact CG2-CG 4.18Å; I76-E80 VanDerWaalsContact O-CB 3.32Å; I76-E80 WeakPolarHBondContact O-CB 3.28Å; I76-E80 WeakPolarHBondContact O-CG 3.46Å; I76-E80 PolarHBondContact O-N 3.09Å; E80-L83 PolarHBondContact O-N 2.94Å; E80-F84 VanDerWaalsContact O-CB 3.32Å; E80-F84 WeakPolarHBondContact O-CB 3.45Å; E80-F84 PolarHBondContact O-N 3.25Å; E80-F344 HydrophobicContact CB-CE2 4.03Å; E80-F344 HydrophobicContact CB-CZ 4.07Å; E80-Y347 HydrophobicContact CB-CE1 4.17Å; E80-Y347 WeakPolarHBondContact OE2-CE1 3.45Å; E80-Y347 PolarHBondContact OE2-OH 2.04Å; E80-F348 HydrophobicContact CB-CD2 4.05Å; E80-F348 HydrophobicContact CB-CE2 4.1Å; E80-F348 HydrophobicContact CG-CD2 4.21Å; E80-F348 HydrophobicContact CG-CE2 3.92Å; E80-N356 PolarHBondContact OE1-ND2 3.32Å; E80-N359 VanDerWaalsContact OE1-CB 3.28Å; E80-N359 WeakPolarHBondContact OE1-CB 3.41Å; E80-N359 PolarHBondContact OE1-ND2 3.38Å
81	A	96.9	Very high	93.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.3	-35	174.8	0	0	0	0	0	112.8	H77 R78 L79 A85 F344 V406 V409 I410	H77-A81 WeakPolarHBondContact O-CB 3.36Å; H77-A81 PolarHBondContact O-N 2.82Å; R78-A81 WeakPolarHBondContact O-CB 3.49Å; R78-A81 PolarHBondContact O-N 2.78Å; L79-A81 PolarHBondContact O-N 2.99Å; A81-A85 WeakPolarHBondContact O-CB 3.17Å; A81-A85 PolarHBondContact O-N 3.35Å; A81-F344 HydrophobicContact CB-CD2 4.29Å; A81-F344 HydrophobicContact CB-CE2 3.96Å; A81-F344 HydrophobicContact CB-CZ 4.37Å; A81-V406 HydrophobicContact CB-CB 4.33Å; A81-V406 HydrophobicContact CB-CG1 3.86Å; A81-V406 HydrophobicContact CB-CG2 4.18Å; A81-V409 HydrophobicContact CB-CB 4.1Å; A81-V409 HydrophobicContact CB-CG1 4.23Å; A81-I410 HydrophobicContact CB-CG1 4.16Å
82	M	97.4	Very high	94.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.1	-44.9	169.9	173.7	168.7	-170.9	0	0	111.1	L51 F55 R78 L79 F84 A85 L86 A103 I105 I154 V409 V413	L51-M82 HydrophobicContact CB-CE 3.99Å; F55-M82 HydrophobicContact CE2-CB 4.19Å; F55-M82 HydrophobicContact CE2-SD 3.64Å; F55-M82 HydrophobicContact CZ-CB 3.74Å; F55-M82 HydrophobicContact CZ-CG 4.37Å; F55-M82 HydrophobicContact CZ-SD 3.74Å; R78-M82 PolarHBondContact O-N 3.48Å; L79-M82 PolarHBondContact O-N 2.88Å; M82-F84 VanDerWaalsContact C-N 3.35Å; M82-F84 PolarHBondContact O-N 3.44Å; M82-A85 PolarHBondContact O-N 3.27Å; M82-L86 HydrophobicContact CE-CD1 4.26Å; M82-L86 HydrophobicContact CG-CD1 3.93Å; M82-L86 VanDerWaalsContact O-CG 3.29Å; M82-L86 WeakPolarHBondContact O-CG 3.27Å; M82-L86 PolarHBondContact O-N 3.05Å; M82-A103 HydrophobicContact CE-CB 3.95Å; M82-I105 HydrophobicContact CG-CD1 4.46Å; M82-I105 HydrophobicContact SD-CD1 4.15Å; M82-I105 HydrophobicContact SD-CG1 4.22Å; M82-I154 HydrophobicContact CE-CB 4.38Å; M82-I154 HydrophobicContact CE-CG1 4.18Å; M82-I154 HydrophobicContact SD-CB 4.29Å; M82-V409 HydrophobicContact CB-CG1 4.02Å; M82-V413 HydrophobicContact CB-CG2 4.29Å; M82-V413 HydrophobicContact CG-CG2 4Å
83	L	96.7	Very high	94.4	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-63	-39.8	176.8	-64.5	177.7	0	0	0	112.2	I45 L79 E80 L86 D87 I105 R358 N359	I45-L83 HydrophobicContact CD1-CD2 4.26Å; I45-L83 HydrophobicContact CG1-CD2 3.94Å; L79-L83 HydrophobicContact CD2-CD1 3.69Å; L79-L83 HydrophobicContact CD2-CG 4.29Å; L79-L83 PolarHBondContact O-N 3.42Å; E80-L83 PolarHBondContact O-N 2.94Å; L83-L86 PolarHBondContact O-N 3.13Å; L83-D87 WeakPolarHBondContact O-CB 3.28Å; L83-D87 PolarHBondContact O-N 2.97Å; L83-I105 HydrophobicContact CD2-CD1 3.84Å; L83-I105 HydrophobicContact CG-CD1 4.2Å; L83-R358 HydrophobicContact CD1-CG 4.35Å; L83-N359 HydrophobicContact CD1-CB 4.5Å
84	F	96.4	Very high	94.8	Very high	10 Å²	10	34.5 Å²	34.5	4%	0.044	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-42	172.2	169.4	-104.6	0	0	0	112.4	E80 M82 D87 R88 V341 F344 Y347 I410 I458	E80-F84 VanDerWaalsContact O-CB 3.32Å; E80-F84 WeakPolarHBondContact O-CB 3.45Å; E80-F84 PolarHBondContact O-N 3.25Å; M82-F84 VanDerWaalsContact C-N 3.35Å; M82-F84 PolarHBondContact O-N 3.44Å; F84-D87 PolarHBondContact O-N 3.17Å; F84-R88 HydrophobicContact CD2-CG 4.16Å; F84-R88 HydrophobicContact CE1-CG 4.3Å; F84-R88 HydrophobicContact CE2-CG 3.83Å; F84-R88 HydrophobicContact CZ-CG 3.9Å; F84-R88 WeakPolarHBondContact O-CB 3.43Å; F84-R88 WeakPolarHBondContact O-CG 3.41Å; F84-R88 PolarHBondContact O-N 3.34Å; F84-V341 HydrophobicContact CE1-CG1 4.5Å; F84-F344 HydrophobicContact CB-CD2 3.94Å; F84-F344 HydrophobicContact CB-CE2 4.33Å; F84-F344 HydrophobicContact CD1-CB 4.26Å; F84-F344 HydrophobicContact CD1-CD2 4.02Å; F84-F344 HydrophobicContact CE1-CB 4.19Å; F84-F344 AromaticContact CG-CD2 3.98Å; F84-F344 HydrophobicContact CG-CD2 3.98Å; F84-Y347 HydrophobicContact CB-CD1 4.22Å; F84-Y347 HydrophobicContact CB-CD2 4.14Å; F84-Y347 HydrophobicContact CB-CE1 4.2Å; F84-Y347 HydrophobicContact CB-CE2 4.01Å; F84-Y347 HydrophobicContact CB-CG 4.24Å; F84-Y347 HydrophobicContact CD2-CD1 4.37Å; F84-Y347 AromaticContact CD2-CD2 3.53Å; F84-Y347 HydrophobicContact CD2-CD2 3.53Å; F84-Y347 HydrophobicContact CD2-CE2 4.2Å; F84-Y347 AromaticContact CD2-CG 3.64Å; F84-Y347 HydrophobicContact CD2-CG 3.64Å; F84-Y347 HydrophobicContact CE2-CD2 4.43Å; F84-Y347 HydrophobicContact CE2-CG 4.41Å; F84-Y347 HydrophobicContact CG-CD2 4.28Å; F84-Y347 HydrophobicContact CG-CG 4.27Å; F84-I410 HydrophobicContact CD1-CD1 3.82Å; F84-I410 HydrophobicContact CD1-CG1 4.24Å; F84-I410 HydrophobicContact CE1-CD1 3.95Å; F84-I458 HydrophobicContact CE1-CD1 4.45Å
85	A	97.1	Very high	95.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.2	-42.4	177.7	0	0	0	0	0	111.8	A81 M82 R88 I89 I410 V413 Y414	A81-A85 WeakPolarHBondContact O-CB 3.17Å; A81-A85 PolarHBondContact O-N 3.35Å; M82-A85 PolarHBondContact O-N 3.27Å; A85-R88 PolarHBondContact O-N 3.43Å; A85-I89 WeakPolarHBondContact O-CG1 3.49Å; A85-I89 PolarHBondContact O-N 2.95Å; A85-I410 HydrophobicContact CB-CG1 4.39Å; A85-I410 HydrophobicContact CB-CG2 4.3Å; A85-V413 HydrophobicContact CB-CB 3.71Å; A85-V413 HydrophobicContact CB-CG1 3.79Å; A85-V413 HydrophobicContact CB-CG2 4.1Å; A85-Y414 HydrophobicContact CB-CD2 4.35Å; A85-Y414 HydrophobicContact CB-CE2 4.26Å
86	L	96.9	Very high	95.3	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.026	17%	0.171	C	C	.	.	H	α-helix	trans	-61.9	-46.4	174.1	-67.7	162.8	0	0	0	111.8	L51 M82 L83 R88 I89 N90 L101 A103 V413	L51-L86 HydrophobicContact CD1-CD2 4.35Å; M82-L86 HydrophobicContact CE-CD1 4.26Å; M82-L86 HydrophobicContact CG-CD1 3.93Å; M82-L86 VanDerWaalsContact O-CG 3.29Å; M82-L86 WeakPolarHBondContact O-CG 3.27Å; M82-L86 PolarHBondContact O-N 3.05Å; L83-L86 PolarHBondContact O-N 3.13Å; L86-R88 PolarHBondContact O-N 2.95Å; L86-I89 PolarHBondContact O-N 3.23Å; L86-N90 VanDerWaalsContact O-CB 3.29Å; L86-N90 WeakPolarHBondContact O-CB 3.32Å; L86-N90 VanDerWaalsContact O-CG 3.23Å; L86-N90 PolarHBondContact O-N 3.38Å; L86-N90 PolarHBondContact O-ND2 3.49Å; L86-L101 HydrophobicContact CD2-CB 3.6Å; L86-L101 HydrophobicContact CD2-CD1 4.31Å; L86-A103 HydrophobicContact CD1-CB 3.5Å; L86-A103 VanDerWaalsContact CD1-CB 3.5Å; L86-V413 HydrophobicContact CD2-CG1 4.18Å; L86-V413 HydrophobicContact CG-CG1 4.31Å
87	D	95.8	Very high	95.2	Very high	44 Å²	44	35.6 Å²	35.6	24%	0.235	19%	0.188	C	C	.	.	H	α-helix	trans	-55.5	-38.8	173.6	-73.5	-11.8	0	0	0	111.7	L83 F84 N91 R358	L83-D87 WeakPolarHBondContact O-CB 3.28Å; L83-D87 PolarHBondContact O-N 2.97Å; F84-D87 PolarHBondContact O-N 3.17Å; D87-N91 PolarHBondContact O-N 2.76Å; D87-N91 PolarHBondContact O-ND2 3.19Å; D87-R358 IonicContact OD1-CZ 3.16Å; D87-R358 IonicContact OD1-NH1 3.6Å; D87-R358 PolarHBondContact OD1-NH1 3.04Å; D87-R358 IonicContact OD1-NH2 2.8Å; D87-R358 PolarHBondContact OD1-NH2 2.93Å; D87-R358 IonicContact OD2-CZ 3.46Å; D87-R358 IonicContact OD2-NH1 2.71Å; D87-R358 PolarHBondContact OD2-NH1 3.09Å; D87-R358 IonicContact OD2-NH2 3.08Å; D87-R358 PolarHBondContact OD2-NH2 3.23Å
88	R	95.7	Very high	95	Very high	113 Å²	113	41.2 Å²	41.2	43%	0.426	22%	0.219	S	C	.	.	H	α-helix	trans	-75.8	-40.8	-177.5	-68.8	-69.5	-108.2	105.5	1.6	112.5	F84 A85 L86 N91 D92 Y414	F84-R88 HydrophobicContact CD2-CG 4.16Å; F84-R88 HydrophobicContact CE1-CG 4.3Å; F84-R88 HydrophobicContact CE2-CG 3.83Å; F84-R88 HydrophobicContact CZ-CG 3.9Å; F84-R88 WeakPolarHBondContact O-CB 3.43Å; F84-R88 WeakPolarHBondContact O-CG 3.41Å; F84-R88 PolarHBondContact O-N 3.34Å; A85-R88 PolarHBondContact O-N 3.43Å; L86-R88 PolarHBondContact O-N 2.95Å; R88-N91 PolarHBondContact O-N 3.5Å; R88-D92 PolarHBondContact O-N 2.97Å; R88-Y414 VanDerWaalsContact CB-OH 3.3Å; R88-Y414 WeakPolarHBondContact CB-OH 3.43Å
89	I	96.4	Very high	94.9	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-67.5	-45	176.1	-63.5	167	0	0	0	110.4	A85 L86 N91 D92 L95 L96 L101 V413 Y414	A85-I89 WeakPolarHBondContact O-CG1 3.49Å; A85-I89 PolarHBondContact O-N 2.95Å; L86-I89 PolarHBondContact O-N 3.23Å; I89-N91 PolarHBondContact O-N 3.21Å; I89-D92 WeakPolarHBondContact O-CB 3.36Å; I89-D92 PolarHBondContact O-N 3.42Å; I89-L95 HydrophobicContact CG1-CD2 4Å; I89-L95 HydrophobicContact CG2-CD2 4.04Å; I89-L95 HydrophobicContact CG2-CG 4.12Å; I89-L96 HydrophobicContact CG2-CD1 4.3Å; I89-L101 HydrophobicContact CB-CD1 4.49Å; I89-L101 HydrophobicContact CD1-CD1 4.23Å; I89-L101 HydrophobicContact CG2-CD1 3.86Å; I89-L101 HydrophobicContact CG2-CG 4.48Å; I89-V413 HydrophobicContact CD1-CG1 3.9Å; I89-Y414 HydrophobicContact CD1-CD1 4.42Å; I89-Y414 HydrophobicContact CD1-CD2 4.17Å; I89-Y414 HydrophobicContact CD1-CE1 4.5Å; I89-Y414 HydrophobicContact CD1-CE2 4.25Å; I89-Y414 HydrophobicContact CD1-CG 4.26Å; I89-Y414 HydrophobicContact CG1-CD1 4.28Å; I89-Y414 HydrophobicContact CG1-CD2 4.37Å; I89-Y414 HydrophobicContact CG1-CE1 3.9Å; I89-Y414 HydrophobicContact CG1-CE2 4Å
90	N	96.5	Very high	94.8	Very high	61 Å²	61	43.7 Å²	43.7	33%	0.326	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-6.3	180	-66.3	-16.1	0	0	0	114	L86 L101	L86-N90 VanDerWaalsContact O-CB 3.29Å; L86-N90 WeakPolarHBondContact O-CB 3.32Å; L86-N90 VanDerWaalsContact O-CG 3.23Å; L86-N90 PolarHBondContact O-N 3.38Å; L86-N90 PolarHBondContact O-ND2 3.49Å; N90-L101 PolarHBondContact ND2-O 2.91Å; N90-L101 WeakPolarHBondContact OD1-CB 3.44Å; N90-L101 PolarHBondContact OD1-N 2.85Å
91	N	95.6	Very high	94.8	Very high	139 Å²	139	43.7 Å²	43.7	74%	0.743	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.2	10.4	172.2	-73.6	-85	0	0	0	112.4	D87 R88 I89	D87-N91 PolarHBondContact O-N 2.76Å; D87-N91 PolarHBondContact O-ND2 3.19Å; R88-N91 PolarHBondContact O-N 3.5Å; I89-N91 PolarHBondContact O-N 3.21Å
92	D	94.3	Very high	94.7	Very high	47 Å²	47	43.7 Å²	43.7	25%	0.251	24%	0.235	S	C	.	.			trans	-93.9	120.7	178.3	-162.8	-49.5	0	0	0	109.4	R88 I89 D94 L95	R88-D92 PolarHBondContact O-N 2.97Å; I89-D92 WeakPolarHBondContact O-CB 3.36Å; I89-D92 PolarHBondContact O-N 3.42Å; D92-D94 VanDerWaalsContact C-N 3.32Å; D92-D94 PolarHBondContact OD1-N 3.21Å; D92-L95 HydrophobicContact CB-CB 4.1Å; D92-L95 PolarHBondContact OD1-N 2.9Å; D92-L95 VanDerWaalsContact OD1-N 3.16Å
93	P	91.9	Very high	94.6	Very high	100 Å²	100	43.7 Å²	43.7	65%	0.649	24%	0.235	S	C	*	.	S	Bend	trans	-75.8	-21.3	-179.3	31.8	-35.5	0	0	0	113.1
94	D	92.5	Very high	94.5	Very high	132 Å²	132	45.4 Å²	45.4	71%	0.706	24%	0.242	S	C	*	.	S	Bend	trans	-90.3	-31.5	-177	-63.1	-39.5	0	0	0	111.2	D92 H421	D92-D94 VanDerWaalsContact C-N 3.32Å; D92-D94 PolarHBondContact OD1-N 3.21Å; D94-H421 PolarHBondContact O-CE1 2.99Å; D94-H421 VanDerWaalsContact O-CE1 3.27Å
95	L	93.2	Very high	94.5	Very high	7 Å²	7	45 Å²	45	4%	0.037	24%	0.24	C	C	.	.	S	Bend	trans	-103.6	110.1	-177	-173.8	60.6	0	0	0	112.6	I89 D92 Y414 H418 H421	I89-L95 HydrophobicContact CG1-CD2 4Å; I89-L95 HydrophobicContact CG2-CD2 4.04Å; I89-L95 HydrophobicContact CG2-CG 4.12Å; D92-L95 HydrophobicContact CB-CB 4.1Å; D92-L95 PolarHBondContact OD1-N 2.9Å; D92-L95 VanDerWaalsContact OD1-N 3.16Å; L95-Y414 HydrophobicContact CD2-CD1 4.03Å; L95-Y414 HydrophobicContact CD2-CE1 3.99Å; L95-H418 WeakPolarHBondContact CD1-ND1 3.46Å; L95-H421 HydrophobicContact CD1-CB 3.68Å
96	L	92.8	Very high	94.3	Very high	7 Å²	7	45 Å²	45	4%	0.037	24%	0.24	C	C	.	.	S	Bend	trans	60.4	51.3	-177.7	-65.6	171.9	0	0	0	115	I89 N98 I99 L101 L420 H421	I89-L96 HydrophobicContact CG2-CD1 4.3Å; L96-N98 PolarHBondContact O-N 3.42Å; L96-I99 HydrophobicContact CB-CB 4.33Å; L96-I99 HydrophobicContact CD2-CD1 4.49Å; L96-I99 PolarHBondContact O-N 3.03Å; L96-L101 HydrophobicContact CD1-CD1 3.9Å; L96-L101 HydrophobicContact CD1-CD2 3.79Å; L96-L101 HydrophobicContact CD1-CG 3.91Å; L96-L420 HydrophobicContact CD1-CB 4.27Å; L96-L420 HydrophobicContact CD2-CB 4.14Å; L96-H421 HydrophobicContact CD2-CB 3.9Å; L96-H421 HydrophobicContact CG-CB 4.11Å; L96-H421 PolarHBondContact N-ND1 3Å
97	P	91.3	Very high	94.1	Very high	56 Å²	56	45.3 Å²	45.3	36%	0.364	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	124.8	-179.3	23.2	-34.1	0	0	0	113	I99	P97-I99 VanDerWaalsContact C-N 3.3Å; P97-I99 PolarHBondContact O-N 2.95Å
98	N	89.9	Confident	93.9	Very high	128 Å²	128	43.3 Å²	43.3	68%	0.684	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	31.1	-175.7	-57.1	-65.8	0	0	0	114.8	L96 V432 G433	L96-N98 PolarHBondContact O-N 3.42Å; N98-V432 HydrophobicContact CB-CG1 3.74Å; N98-V432 WeakPolarHBondContact ND2-CG1 3.34Å; N98-G433 WeakPolarHBondContact O-CA 3.27Å
99	I	93.1	Very high	93.6	Very high	6 Å²	6	38 Å²	38	3%	0.031	21%	0.211	C	C	.	.			trans	-129.6	120.5	166.7	-60.5	177.7	0	0	0	108.5	D48 I49 L96 P97 H424	D48-I99 HydrophobicContact CB-CG2 4.24Å; I49-I99 HydrophobicContact CD1-CG2 3.81Å; I49-I99 HydrophobicContact CG1-CG2 4.05Å; L96-I99 HydrophobicContact CB-CB 4.33Å; L96-I99 HydrophobicContact CD2-CD1 4.49Å; L96-I99 PolarHBondContact O-N 3.03Å; P97-I99 VanDerWaalsContact C-N 3.3Å; P97-I99 PolarHBondContact O-N 2.95Å; I99-H424 VanDerWaalsContact CD1-CD2 3.43Å; I99-H424 WeakPolarHBondContact CD1-CD2 3.47Å
100	T	94.6	Very high	93	Very high	59 Å²	59	39 Å²	39	36%	0.362	22%	0.218	S	C	.	.			trans	-92	131.4	-179.6	59.5	0	0	0	0	112.2	G47 D48 I49	G47-T100 VanDerWaalsContact CA-OG1 3.28Å; G47-T100 WeakPolarHBondContact CA-OG1 3.45Å; D48-T100 PolarHBondContact N-O 2.79Å; D48-T100 PolarHBondContact N-OG1 2.6Å; D48-T100 WeakPolarHBondContact OD2-CB 3.28Å; D48-T100 PolarHBondContact OD2-N 2.67Å; D48-T100 PolarHBondContact OD2-OG1 3.42Å; I49-T100 PolarHBondContact N-O 3.42Å; I49-T100 VanDerWaalsContact N-O 3.1Å
101	L	96.1	Very high	92.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	111	170	-61.1	-173.4	0	0	0	110.1	I49 L51 L86 I89 N90 L96 L420	I49-L101 HydrophobicContact CB-CD2 3.95Å; I49-L101 HydrophobicContact CG2-CD2 4.27Å; I49-L101 CarbonylContact O-C 3.27Å; I49-L101 WeakPolarHBondContact O-CA 3.46Å; L51-L101 HydrophobicContact CD1-CD1 4.45Å; L86-L101 HydrophobicContact CD2-CB 3.6Å; L86-L101 HydrophobicContact CD2-CD1 4.31Å; I89-L101 HydrophobicContact CB-CD1 4.49Å; I89-L101 HydrophobicContact CD1-CD1 4.23Å; I89-L101 HydrophobicContact CG2-CD1 3.86Å; I89-L101 HydrophobicContact CG2-CG 4.48Å; N90-L101 PolarHBondContact ND2-O 2.91Å; N90-L101 WeakPolarHBondContact OD1-CB 3.44Å; N90-L101 PolarHBondContact OD1-N 2.85Å; L96-L101 HydrophobicContact CD1-CD1 3.9Å; L96-L101 HydrophobicContact CD1-CD2 3.79Å; L96-L101 HydrophobicContact CD1-CG 3.91Å; L101-L420 HydrophobicContact CD2-CD1 3.88Å
102	G	95.6	Very high	92	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	172.9	167.1	0	0	0	0	0	111.8	I45 I49 L51	I45-G102 CarbonylContact O-C 3.57Å; I45-G102 WeakPolarHBondContact O-CA 3.42Å; I49-G102 PolarHBondContact O-N 3.01Å; L51-G102 PolarHBondContact N-O 3.33Å
103	A	95.4	Very high	91.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	142.6	179.6	0	0	0	0	0	114.9	R44 I45 L51 M82 L86 I105	R44-A103 CarbonylContact C-O 3.47Å; R44-A103 WeakPolarHBondContact CA-O 3.36Å; I45-A103 HydrophobicContact CB-CB 4.47Å; I45-A103 PolarHBondContact N-O 2.95Å; I45-A103 PolarHBondContact O-N 3.46Å; L51-A103 CarbonylContact O-C 3.53Å; L51-A103 WeakPolarHBondContact O-CA 3.48Å; M82-A103 HydrophobicContact CE-CB 3.95Å; L86-A103 HydrophobicContact CD1-CB 3.5Å; L86-A103 VanDerWaalsContact CD1-CB 3.5Å; A103-I105 HydrophobicContact CB-CG1 4.4Å
104	R	94	Very high	91.4	Very high	38 Å²	38	32.2 Å²	32.2	14%	0.143	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	107.7	173	-169.8	169.6	172.9	-158.6	-5.2	109.9	I43 T50 L51 G52 G53 T121 F122	I43-R104 CarbonylContact O-C 3.6Å; I43-R104 WeakPolarHBondContact O-CA 3.08Å; T50-R104 HydrophobicContact CG2-CB 4.1Å; L51-R104 PolarHBondContact O-N 3.46Å; G52-R104 CarbonylContact C-O 3.29Å; G52-R104 WeakPolarHBondContact CA-O 2.88Å; G53-R104 PolarHBondContact N-O 2.93Å; R104-T121 PolarHBondContact NH1-O 3.25Å; R104-T121 PolarHBondContact NH2-O 3.05Å; R104-T121 PolarHBondContact NH2-OG1 3.16Å; R104-F122 HydrophobicContact CB-CE1 4.48Å; R104-F122 HydrophobicContact CG-CE1 4.41Å; R104-F122 WeakPolarHBondContact O-CE1 3.44Å
105	I	95	Very high	91.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.2	-171	-54.5	174.4	0	0	0	110.4	S42 I43 G53 F55 L79 M82 L83 A103	S42-I105 CarbonylContact C-O 3.54Å; S42-I105 VanDerWaalsContact CA-O 3.26Å; S42-I105 WeakPolarHBondContact CA-O 3.25Å; I43-I105 HydrophobicContact CB-CB 4.25Å; I43-I105 PolarHBondContact N-O 3.06Å; I43-I105 PolarHBondContact O-N 3.26Å; G53-I105 WeakPolarHBondContact O-CA 3.49Å; F55-I105 HydrophobicContact CD2-CG2 3.55Å; F55-I105 HydrophobicContact CE2-CG2 3.9Å; L79-I105 HydrophobicContact CD1-CG2 4.01Å; L79-I105 HydrophobicContact CG-CD1 4.35Å; L79-I105 HydrophobicContact CG-CG2 4.15Å; M82-I105 HydrophobicContact CG-CD1 4.46Å; M82-I105 HydrophobicContact SD-CD1 4.15Å; M82-I105 HydrophobicContact SD-CG1 4.22Å; L83-I105 HydrophobicContact CD2-CD1 3.84Å; L83-I105 HydrophobicContact CG-CD1 4.2Å; A103-I105 HydrophobicContact CB-CG1 4.4Å
106	L	93.8	Very high	91.1	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	149.6	-179.9	-44.6	178.4	0	0	0	110.4	G53 L54 F55 Q118 T121 F122	G53-L106 PolarHBondContact O-N 3.11Å; L54-L106 HydrophobicContact CD2-CB 4.05Å; L54-L106 HydrophobicContact CD2-CD1 4.4Å; F55-L106 PolarHBondContact N-O 3.18Å; L106-Q118 HydrophobicContact CB-CB 4.38Å; L106-Q118 HydrophobicContact CD1-CB 3.98Å; L106-Q118 WeakPolarHBondContact CD1-O 3.36Å; L106-T121 WeakPolarHBondContact CD1-OG1 3.41Å; L106-F122 HydrophobicContact CD1-CD1 4Å; L106-F122 HydrophobicContact CD1-CD2 4.49Å; L106-F122 HydrophobicContact CD1-CE1 3.47Å; L106-F122 VanDerWaalsContact CD1-CE1 3.47Å; L106-F122 HydrophobicContact CD1-CE2 4.01Å; L106-F122 HydrophobicContact CD1-CG 4.5Å; L106-F122 HydrophobicContact CD1-CZ 3.47Å; L106-F122 VanDerWaalsContact CD1-CZ 3.47Å; L106-F122 HydrophobicContact CD2-CE1 4.42Å; L106-F122 HydrophobicContact CG-CE1 3.68Å; L106-F122 HydrophobicContact CG-CZ 3.72Å
107	D	93.3	Very high	90.9	Very high	10 Å²	10	32.7 Å²	32.7	5%	0.053	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	143.6	167	-167.3	6.4	0	0	0	111	V57 H58 C109 W361	V57-D107 HydrophobicContact CB-CB 4.19Å; V57-D107 HydrophobicContact CG2-CB 4.21Å; V57-D107 PolarHBondContact N-OD1 3.22Å; H58-D107 IonicContact CE1-OD2 2.7Å; H58-D107 IonicContact CG-OD2 2.72Å; H58-D107 PolarHBondContact N-OD1 3.08Å; H58-D107 PolarHBondContact N-OD2 2.69Å; H58-D107 VanDerWaalsContact N-OD2 3.09Å; H58-D107 IonicContact ND1-OD2 2.76Å; H58-D107 PolarHBondContact ND1-OD2 2.87Å; D107-C109 VanDerWaalsContact CG-SG 3.58Å; D107-C109 PolarHBondContact OD1-N 3.18Å; D107-C109 PolarHBondContact OD2-SG 3.36Å; D107-W361 HydrophobicContact CB-CH2 4.41Å; D107-W361 HydrophobicContact CB-CZ2 4.16Å
108	T	91.6	Very high	90.6	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.018	16%	0.16	C	C	.	.			trans	-99.2	-13.2	173.6	58.3	0	0	0	0	112.6	L54 F55 P56 S110 R111 A115 A156 V161	L54-T108 HydrophobicContact CB-CG2 3.91Å; L54-T108 HydrophobicContact CD2-CG2 4.11Å; L54-T108 HydrophobicContact CG-CG2 4.5Å; F55-T108 VanDerWaalsContact C-OG1 3.27Å; F55-T108 PolarHBondContact O-N 3.11Å; F55-T108 PolarHBondContact O-OG1 3.44Å; P56-T108 VanDerWaalsContact CA-OG1 3.29Å; P56-T108 WeakPolarHBondContact CA-OG1 3.18Å; T108-S110 PolarHBondContact O-N 3.12Å; T108-R111 PolarHBondContact O-N 3.48Å; T108-A115 HydrophobicContact CG2-CB 3.82Å; T108-A156 HydrophobicContact CG2-CB 4.38Å; T108-V161 HydrophobicContact CG2-CG1 4.27Å
109	C	88.9	Confident	90.6	Very high	1 Å²	1	25 Å²	25	1%	0.007	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	47	28.9	-173.9	-58.9	0	0	0	0	114	H58 G59 R60 C67 D107 R111	H58-C109 CarbonylContact O-C 3.58Å; H58-C109 VanDerWaalsContact O-C 3.27Å; H58-C109 WeakPolarHBondContact O-CA 3.49Å; G59-C109 CarbonylContact C-O 3.51Å; G59-C109 VanDerWaalsContact C-O 3.29Å; G59-C109 VanDerWaalsContact O-O 3.07Å; R60-C109 WeakPolarHBondContact CA-O 3.32Å; R60-C109 PolarHBondContact N-O 2.94Å; C67-C109 HydrophobicContact CB-CB 3.68Å; C67-C109 WeakPolarHBondContact CB-SG 3.43Å; C67-C109 WeakPolarHBondContact SG-CB 3.44Å; C67-C109 CovalentContact SG-SG 2.03Å; C67-C109 PolarHBondContact SG-SG 3.21Å; D107-C109 VanDerWaalsContact CG-SG 3.58Å; D107-C109 PolarHBondContact OD1-N 3.18Å; D107-C109 PolarHBondContact OD2-SG 3.36Å; C109-R111 PolarHBondContact O-N 2.91Å
110	S	83.8	Confident	90.3	Very high	22 Å²	22	28.6 Å²	28.6	15%	0.154	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	20.1	-173.6	-47.9	0	0	0	0	114.8	H58 R60 K71 T108	H58-S110 PolarHBondContact O-N 3.36Å; H58-S110 PolarHBondContact O-OG 3.44Å; R60-S110 PolarHBondContact NE-O 3.42Å; K71-S110 PolarHBondContact NZ-OG 3.14Å; T108-S110 PolarHBondContact O-N 3.12Å
111	R	84.7	Confident	89.9	Confident	74 Å²	74	27 Å²	27	28%	0.279	14%	0.137	S	C	.	.			trans	-125.2	123.2	-171.5	-170.7	170.7	72.1	145.1	9.5	110.9	A66 T108 C109 H114 A115	A66-R111 PolarHBondContact O-NE 3.37Å; T108-R111 PolarHBondContact O-N 3.48Å; C109-R111 PolarHBondContact O-N 2.91Å; R111-H114 HydrophobicContact CB-CB 4.29Å; R111-H114 PolarHBondContact O-N 3.41Å; R111-A115 WeakPolarHBondContact O-CB 3.38Å; R111-A115 PolarHBondContact O-N 3.5Å
112	D	85.8	Confident	89.5	Confident	24 Å²	24	27 Å²	27	13%	0.128	14%	0.137	C	C	.	.	H	α-helix	trans	-61.8	-45.9	-174.8	40.5	18.6	0	0	0	112.9	H114 L116 V161 M164 R258	D112-H114 PolarHBondContact O-N 2.92Å; D112-L116 WeakPolarHBondContact O-CB 3.48Å; D112-L116 PolarHBondContact O-N 3.26Å; D112-V161 HydrophobicContact CB-CG2 4.32Å; D112-M164 HydrophobicContact CB-CG 4.15Å; D112-R258 IonicContact OD2-NH1 3.61Å; D112-R258 PolarHBondContact OD2-NH1 3.39Å
113	T	86.6	Confident	88.9	Confident	88 Å²	88	27 Å²	27	54%	0.54	14%	0.137	S	C	.	.	H	α-helix	trans	-62.6	-37.8	177.2	54.4	0	0	0	0	114.1	E117	T113-E117 PolarHBondContact O-N 3.37Å
114	H	88.2	Confident	88.1	Confident	19 Å²	19	31.8 Å²	31.8	9%	0.088	16%	0.159	C	C	.	.	H	α-helix	trans	-76.7	-42.1	179.7	-172.2	51.7	0	0	0	112.1	R111 D112 L116 E117 Q118	R111-H114 HydrophobicContact CB-CB 4.29Å; R111-H114 PolarHBondContact O-N 3.41Å; D112-H114 PolarHBondContact O-N 2.92Å; H114-L116 PolarHBondContact O-N 3.39Å; H114-E117 IonicContact CE1-OE2 3.55Å; H114-E117 PolarHBondContact CE1-OE2 3.12Å; H114-E117 IonicContact CG-OE2 3.5Å; H114-E117 IonicContact ND1-OE2 2.77Å; H114-E117 PolarHBondContact ND1-OE2 3.44Å; H114-E117 WeakPolarHBondContact O-CB 3.31Å; H114-E117 PolarHBondContact O-N 3.41Å; H114-Q118 PolarHBondContact CE1-NE2 2.82Å; H114-Q118 VanDerWaalsContact CE1-NE2 3.31Å; H114-Q118 WeakPolarHBondContact O-CG 3.45Å; H114-Q118 PolarHBondContact O-N 3.42Å
115	A	89.8	Confident	86.8	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.3	-35.2	174.4	0	0	0	0	0	112.3	T108 R111 S119 V161	T108-A115 HydrophobicContact CG2-CB 3.82Å; R111-A115 WeakPolarHBondContact O-CB 3.38Å; R111-A115 PolarHBondContact O-N 3.5Å; A115-S119 VanDerWaalsContact O-CB 3.22Å; A115-S119 WeakPolarHBondContact O-CB 3.35Å; A115-S119 PolarHBondContact O-N 3.39Å; A115-S119 PolarHBondContact O-OG 2.88Å; A115-V161 HydrophobicContact CB-CG1 3.32Å
116	L	88.8	Confident	85.5	Confident	50 Å²	50	33.9 Å²	33.9	26%	0.262	17%	0.173	S	C	.	.	H	α-helix	trans	-63.6	-50.3	173.1	-171.7	68.8	0	0	0	111.6	D112 H114 Q118 S119 L120 M164 I168	D112-L116 WeakPolarHBondContact O-CB 3.48Å; D112-L116 PolarHBondContact O-N 3.26Å; H114-L116 PolarHBondContact O-N 3.39Å; L116-Q118 PolarHBondContact O-N 3.05Å; L116-S119 PolarHBondContact O-N 3.19Å; L116-L120 PolarHBondContact O-N 3.31Å; L116-M164 HydrophobicContact CD1-CB 4.21Å; L116-M164 VanDerWaalsContact CD1-O 3.28Å; L116-M164 WeakPolarHBondContact CD1-O 3.49Å; L116-I168 HydrophobicContact CD1-CD1 3.35Å; L116-I168 HydrophobicContact CD1-CG1 3.77Å; L116-I168 HydrophobicContact CG-CD1 4.02Å
117	E	87.9	Confident	84.4	Confident	106 Å²	106	38.6 Å²	38.6	50%	0.495	20%	0.198	S	C	.	.	H	α-helix	trans	-55.8	-47.8	175	174.4	-168	-138.7	0	0	112	T113 H114 L120	T113-E117 PolarHBondContact O-N 3.37Å; H114-E117 IonicContact CE1-OE2 3.55Å; H114-E117 PolarHBondContact CE1-OE2 3.12Å; H114-E117 IonicContact CG-OE2 3.5Å; H114-E117 IonicContact ND1-OE2 2.77Å; H114-E117 PolarHBondContact ND1-OE2 3.44Å; H114-E117 WeakPolarHBondContact O-CB 3.31Å; H114-E117 PolarHBondContact O-N 3.41Å; E117-L120 WeakPolarHBondContact O-CB 3.32Å; E117-L120 PolarHBondContact O-N 3.05Å
118	Q	86.9	Confident	82.8	Confident	23 Å²	23	43.8 Å²	43.8	11%	0.107	22%	0.222	C	C	.	.	H	α-helix	trans	-67.5	-37.1	177.4	-61.3	-45.5	-71.1	0	0	111.8	L106 H114 L116 L120 T121	L106-Q118 HydrophobicContact CB-CB 4.38Å; L106-Q118 HydrophobicContact CD1-CB 3.98Å; L106-Q118 WeakPolarHBondContact CD1-O 3.36Å; H114-Q118 PolarHBondContact CE1-NE2 2.82Å; H114-Q118 VanDerWaalsContact CE1-NE2 3.31Å; H114-Q118 WeakPolarHBondContact O-CG 3.45Å; H114-Q118 PolarHBondContact O-N 3.42Å; L116-Q118 PolarHBondContact O-N 3.05Å; Q118-L120 VanDerWaalsContact C-N 3.25Å; Q118-L120 PolarHBondContact O-N 2.88Å; Q118-T121 WeakPolarHBondContact O-CB 3.43Å; Q118-T121 WeakPolarHBondContact O-CG2 3.43Å; Q118-T121 PolarHBondContact O-N 3.49Å; Q118-T121 PolarHBondContact O-OG1 3.11Å
119	S	88.7	Confident	80.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.7	-22.2	-180	-61.9	0	0	0	0	113.9	A115 L116 T121 F122 V165	A115-S119 VanDerWaalsContact O-CB 3.22Å; A115-S119 WeakPolarHBondContact O-CB 3.35Å; A115-S119 PolarHBondContact O-N 3.39Å; A115-S119 PolarHBondContact O-OG 2.88Å; L116-S119 PolarHBondContact O-N 3.19Å; S119-T121 PolarHBondContact O-N 3.41Å; S119-T121 VanDerWaalsContact O-N 3.17Å; S119-F122 WeakPolarHBondContact O-CB 3.25Å; S119-F122 PolarHBondContact O-N 3.2Å; S119-F122 VanDerWaalsContact O-N 3.12Å; S119-V165 WeakPolarHBondContact OG-CG2 3.44Å
120	L	86.8	Confident	79.1	Confident	82 Å²	82	58.3 Å²	58.3	43%	0.429	29%	0.291	S	S	.	.	H	α-helix	trans	-56.2	-28.4	168.5	-70.5	169.7	0	0	0	111.9	L116 E117 Q118 F122 V123 Q124 I168	L116-L120 PolarHBondContact O-N 3.31Å; E117-L120 WeakPolarHBondContact O-CB 3.32Å; E117-L120 PolarHBondContact O-N 3.05Å; Q118-L120 VanDerWaalsContact C-N 3.25Å; Q118-L120 PolarHBondContact O-N 2.88Å; L120-F122 VanDerWaalsContact C-N 3.27Å; L120-F122 PolarHBondContact O-N 2.93Å; L120-V123 HydrophobicContact CD2-CG2 4.49Å; L120-V123 WeakPolarHBondContact O-CG2 3.48Å; L120-V123 PolarHBondContact O-N 2.85Å; L120-V123 VanDerWaalsContact O-N 3.16Å; L120-Q124 PolarHBondContact O-N 3.05Å; L120-Q124 VanDerWaalsContact O-N 3.12Å; L120-I168 HydrophobicContact CD2-CD1 3.72Å; L120-I168 HydrophobicContact CG-CD1 4.29Å
121	T	86	Confident	77.7	Confident	25 Å²	25	59 Å²	59	15%	0.153	30%	0.301	C	S	.	.	H	α-helix	trans	-72.3	-17.4	-179.5	75.3	0	0	0	0	114.1	R104 L106 Q118 S119	R104-T121 PolarHBondContact NH1-O 3.25Å; R104-T121 PolarHBondContact NH2-O 3.05Å; R104-T121 PolarHBondContact NH2-OG1 3.16Å; L106-T121 WeakPolarHBondContact CD1-OG1 3.41Å; Q118-T121 WeakPolarHBondContact O-CB 3.43Å; Q118-T121 WeakPolarHBondContact O-CG2 3.43Å; Q118-T121 PolarHBondContact O-N 3.49Å; Q118-T121 PolarHBondContact O-OG1 3.11Å; S119-T121 PolarHBondContact O-N 3.41Å; S119-T121 VanDerWaalsContact O-N 3.17Å
122	F	87.7	Confident	76.3	Confident	1 Å²	1	61 Å²	61	0%	0.004	32%	0.322	C	S	.	.	H	α-helix	trans	-72.3	-33.5	169.2	-62.5	-36.5	0	0	0	112.3	L54 R104 L106 S119 L120 V150 V153	L54-F122 HydrophobicContact CD1-CE2 4.21Å; L54-F122 HydrophobicContact CD2-CE2 3.77Å; L54-F122 HydrophobicContact CD2-CZ 3.9Å; L54-F122 HydrophobicContact CG-CE2 3.91Å; L54-F122 HydrophobicContact CG-CZ 4.21Å; R104-F122 HydrophobicContact CB-CE1 4.48Å; R104-F122 HydrophobicContact CG-CE1 4.41Å; R104-F122 WeakPolarHBondContact O-CE1 3.44Å; L106-F122 HydrophobicContact CD1-CD1 4Å; L106-F122 HydrophobicContact CD1-CD2 4.49Å; L106-F122 HydrophobicContact CD1-CE1 3.47Å; L106-F122 VanDerWaalsContact CD1-CE1 3.47Å; L106-F122 HydrophobicContact CD1-CE2 4.01Å; L106-F122 HydrophobicContact CD1-CG 4.5Å; L106-F122 HydrophobicContact CD1-CZ 3.47Å; L106-F122 VanDerWaalsContact CD1-CZ 3.47Å; L106-F122 HydrophobicContact CD2-CE1 4.42Å; L106-F122 HydrophobicContact CG-CE1 3.68Å; L106-F122 HydrophobicContact CG-CZ 3.72Å; S119-F122 WeakPolarHBondContact O-CB 3.25Å; S119-F122 PolarHBondContact O-N 3.2Å; S119-F122 VanDerWaalsContact O-N 3.12Å; L120-F122 VanDerWaalsContact C-N 3.27Å; L120-F122 PolarHBondContact O-N 2.93Å; F122-V150 HydrophobicContact CB-CB 4.31Å; F122-V150 HydrophobicContact CB-CG2 4.28Å; F122-V150 HydrophobicContact CD1-CG2 3.74Å; F122-V150 HydrophobicContact CE1-CG2 4.39Å; F122-V150 HydrophobicContact CG-CG2 4.25Å; F122-V153 HydrophobicContact CD2-CG2 3.95Å; F122-V153 HydrophobicContact CE2-CG1 4.08Å; F122-V153 HydrophobicContact CE2-CG2 4.02Å
123	V	84.5	Confident	74.9	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-95.7	-10.3	-175.5	-62.9	0	0	0	0	113.8	L120 A125 L126 I127 I168 L169 F172 I174	L120-V123 HydrophobicContact CD2-CG2 4.49Å; L120-V123 WeakPolarHBondContact O-CG2 3.48Å; L120-V123 PolarHBondContact O-N 2.85Å; L120-V123 VanDerWaalsContact O-N 3.16Å; V123-A125 PolarHBondContact O-N 3.35Å; V123-A125 VanDerWaalsContact O-N 3.17Å; V123-L126 WeakPolarHBondContact O-CA 3.48Å; V123-L126 WeakPolarHBondContact O-CB 3.48Å; V123-L126 PolarHBondContact O-N 3.34Å; V123-I127 HydrophobicContact CB-CD1 4.22Å; V123-I127 HydrophobicContact CG2-CD1 3.87Å; V123-I127 WeakPolarHBondContact O-CD1 3.4Å; V123-I127 WeakPolarHBondContact O-CG1 3.3Å; V123-I127 PolarHBondContact O-N 3.37Å; V123-I168 HydrophobicContact CG1-CG2 4.47Å; V123-I168 HydrophobicContact CG2-CG2 4.3Å; V123-L169 HydrophobicContact CG1-CD2 4.48Å; V123-F172 HydrophobicContact CB-CD1 4.15Å; V123-F172 HydrophobicContact CB-CD2 3.85Å; V123-F172 HydrophobicContact CB-CE1 4.23Å; V123-F172 HydrophobicContact CB-CE2 3.94Å; V123-F172 HydrophobicContact CB-CG 3.96Å; V123-F172 HydrophobicContact CB-CZ 4.13Å; V123-F172 HydrophobicContact CG1-CB 3.94Å; V123-F172 HydrophobicContact CG1-CD1 4.26Å; V123-F172 HydrophobicContact CG1-CD2 3.49Å; V123-F172 VanDerWaalsContact CG1-CD2 3.49Å; V123-F172 HydrophobicContact CG1-CE2 4.06Å; V123-F172 HydrophobicContact CG1-CG 3.61Å; V123-F172 HydrophobicContact CG2-CD2 4.26Å; V123-F172 HydrophobicContact CG2-CE2 3.96Å; V123-F172 HydrophobicContact CG2-CZ 4.27Å; V123-I174 HydrophobicContact CG1-CD1 3.81Å
124	Q	77.6	Confident	73.6	Confident	100 Å²	100	66.9 Å²	66.9	47%	0.467	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-48.1	-41.7	171.1	-81.6	168.7	-17.8	0	0	112.4	L120 L126 I127 E128	L120-Q124 PolarHBondContact O-N 3.05Å; L120-Q124 VanDerWaalsContact O-N 3.12Å; Q124-L126 PolarHBondContact O-N 2.95Å; Q124-I127 PolarHBondContact O-N 2.75Å; Q124-E128 PolarHBondContact O-N 2.82Å
125	A	66.3	Low	72.4	Confident	5 Å²	5	76.7 Å²	76.7	4%	0.041	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-66.4	-4.8	177.9	0	0	0	0	0	115.8	V123 P147 E148 R149	V123-A125 PolarHBondContact O-N 3.35Å; V123-A125 VanDerWaalsContact O-N 3.17Å; A125-P147 HydrophobicContact CB-CB 3.61Å; A125-P147 HydrophobicContact CB-CG 3.89Å; A125-E148 WeakPolarHBondContact CB-O 3.41Å; A125-R149 HydrophobicContact CB-CG 3.85Å; A125-R149 PolarHBondContact O-NE 3.44Å
126	L	68.8	Low	71.1	Confident	76 Å²	76	79 Å²	79	40%	0.398	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-116.6	-2.8	176.6	-54.8	176.2	0	0	0	112.2	V123 Q124 R149 F172 I174	V123-L126 WeakPolarHBondContact O-CA 3.48Å; V123-L126 WeakPolarHBondContact O-CB 3.48Å; V123-L126 PolarHBondContact O-N 3.34Å; Q124-L126 PolarHBondContact O-N 2.95Å; L126-R149 HydrophobicContact CD2-CG 4.18Å; L126-F172 HydrophobicContact CB-CD1 3.94Å; L126-F172 HydrophobicContact CB-CE1 4.33Å; L126-F172 HydrophobicContact CD1-CB 3.94Å; L126-F172 HydrophobicContact CD1-CD1 4Å; L126-F172 HydrophobicContact CD1-CG 4.33Å; L126-I174 HydrophobicContact CD1-CD1 4.02Å; L126-I174 HydrophobicContact CD1-CG1 4.49Å
127	I	69.6	Low	70.1	Confident	102 Å²	102	81.2 Å²	81.2	52%	0.523	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-15.4	-177.6	-63.4	164.5	0	0	0	111.4	V123 Q124 K129 F172	V123-I127 HydrophobicContact CB-CD1 4.22Å; V123-I127 HydrophobicContact CG2-CD1 3.87Å; V123-I127 WeakPolarHBondContact O-CD1 3.4Å; V123-I127 WeakPolarHBondContact O-CG1 3.3Å; V123-I127 PolarHBondContact O-N 3.37Å; Q124-I127 PolarHBondContact O-N 2.75Å; I127-K129 PolarHBondContact O-N 3.25Å; I127-F172 HydrophobicContact CD1-CE1 4.05Å; I127-F172 HydrophobicContact CD1-CZ 3.69Å; I127-F172 HydrophobicContact CG1-CE1 3.66Å; I127-F172 HydrophobicContact CG1-CZ 3.79Å
128	E	59.5	Low	68.9	Low	119 Å²	119	81.6 Å²	81.6	56%	0.556	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-57.6	131.1	178.8	-80.6	-176.5	-171.8	0	0	113	Q124 P147	Q124-E128 PolarHBondContact O-N 2.82Å; E128-P147 VanDerWaalsContact OE2-CG 3.28Å; E128-P147 WeakPolarHBondContact OE2-CG 3.44Å
129	K	52.5	Low	67.9	Low	173 Å²	173	84.1 Å²	84.1	75%	0.752	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-67.4	162.3	175.1	-77.4	-177.7	161.4	-163.6	0	112	I127 G131	I127-K129 PolarHBondContact O-N 3.25Å; K129-G131 PolarHBondContact O-N 3.25Å
130	D	50.9	Low	66.9	Low	136 Å²	136	85.6 Å²	85.6	73%	0.727	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-48.3	120.3	167.1	-64	-67.5	0	0	0	112.1	T132	D130-T132 PolarHBondContact O-N 3.49Å
131	G	54	Low	65.8	Low	35 Å²	35	87.2 Å²	87.2	36%	0.361	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-69	10.7	180	0	0	0	0	0	115.2	K129 E133 V134	K129-G131 PolarHBondContact O-N 3.25Å; G131-E133 VanDerWaalsContact C-N 3.33Å; G131-E133 PolarHBondContact O-N 2.97Å; G131-V134 PolarHBondContact O-N 3.22Å
132	T	56.5	Low	64.7	Low	118 Å²	118	87.9 Å²	87.9	72%	0.724	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-72.9	-21.1	-175.5	50.2	0	0	0	0	113.6	D130	D130-T132 PolarHBondContact O-N 3.49Å
133	E	54.8	Low	63.4	Low	152 Å²	152	95.6 Å²	95.6	71%	0.71	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-80.4	-17.9	177.3	-61.8	-170.3	132.4	0	0	113.4	G131 R135	G131-E133 VanDerWaalsContact C-N 3.33Å; G131-E133 PolarHBondContact O-N 2.97Å; E133-R135 PolarHBondContact O-N 2.84Å
134	V	60.3	Low	62.2	Low	83 Å²	83	99.7 Å²	99.7	50%	0.503	58%	0.577	S	S	.	*			trans	-87.6	112.1	-173.4	-171.9	0	0	0	0	111.1	G131 P142	G131-V134 PolarHBondContact O-N 3.22Å; V134-P142 HydrophobicContact CB-CB 4.34Å; V134-P142 HydrophobicContact CB-CG 4.3Å; V134-P142 HydrophobicContact CG1-CB 3.85Å; V134-P142 HydrophobicContact CG1-CG 4.35Å; V134-P142 WeakPolarHBondContact O-CG 3.42Å
135	R	61.7	Low	61.2	Low	224 Å²	224	100.4 Å²	100.4	85%	0.845	59%	0.588	S	S	*	*			trans	-117.1	130.4	171.8	-65.7	-175.5	177	-166.6	-2.1	110.7	E133	E133-R135 PolarHBondContact O-N 2.84Å
136	C	62.9	Low	60.9	Low	50 Å²	50	109 Å²	109	34%	0.338	62%	0.624	S	S	.	*			trans	-70.7	140.3	169.7	-69.1	0	0	0	0	110.2	S138 G139	C136-S138 PolarHBondContact O-N 3.39Å; C136-G139 PolarHBondContact O-N 3.19Å
137	G	67.4	Low	60.6	Low	96 Å²	96	107.2 Å²	107.2	99%	0.99	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-12.3	178.8	0	0	0	0	0	114.8
138	S	64.5	Low	60.7	Low	114 Å²	114	103.7 Å²	103.7	80%	0.797	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	4.9	173.1	51.3	0	0	0	0	114.2	C136 G140	C136-S138 PolarHBondContact O-N 3.39Å; S138-G140 PolarHBondContact O-N 2.94Å; S138-G140 VanDerWaalsContact O-N 3.16Å
139	G	64.1	Low	61.8	Low	75 Å²	75	103.7 Å²	103.7	77%	0.773	59%	0.594	S	S	*	*	S	Bend	trans	75.9	-7.6	178.4	0	0	0	0	0	115.9	C136	C136-G139 PolarHBondContact O-N 3.19Å
140	G	68.9	Low	63.7	Low	31 Å²	31	95.8 Å²	95.8	32%	0.32	56%	0.56	S	S	.	*	S	Bend	trans	-71.3	160.4	173.2	0	0	0	0	0	113.3	S138	S138-G140 PolarHBondContact O-N 2.94Å; S138-G140 VanDerWaalsContact O-N 3.16Å
141	P	63.9	Low	65.7	Low	117 Å²	117	90.4 Å²	90.4	76%	0.76	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-64.1	142.7	172.6	28.7	-34.6	0	0	0	110.6
142	P	62.7	Low	67.7	Low	38 Å²	38	88.7 Å²	88.7	25%	0.247	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-66.8	138.5	176.6	30.7	-37.7	0	0	0	111.3	V134 I144	V134-P142 HydrophobicContact CB-CB 4.34Å; V134-P142 HydrophobicContact CB-CG 4.3Å; V134-P142 HydrophobicContact CG1-CB 3.85Å; V134-P142 HydrophobicContact CG1-CG 4.35Å; V134-P142 WeakPolarHBondContact O-CG 3.42Å; P142-I144 HydrophobicContact CB-CD1 4.45Å; P142-I144 HydrophobicContact CB-CG1 3.96Å; P142-I144 HydrophobicContact CG-CD1 3.86Å; P142-I144 HydrophobicContact CG-CG1 3.86Å; P142-I144 PolarHBondContact O-N 3.46Å
143	I	60.7	Low	69.7	Low	164 Å²	164	83.1 Å²	83.1	84%	0.841	48%	0.48	S	S	*	.			trans	-76.8	77.9	168.7	-53.7	178	0	0	0	107.9	T145	I143-T145 PolarHBondContact O-N 3.03Å
144	I	58.2	Low	71.8	Confident	86 Å²	86	75.9 Å²	75.9	44%	0.441	45%	0.446	S	S	.	.			trans	-77.6	100.1	171.3	-58	176.8	0	0	0	107.1	P142 K146	P142-I144 HydrophobicContact CB-CD1 4.45Å; P142-I144 HydrophobicContact CB-CG1 3.96Å; P142-I144 HydrophobicContact CG-CD1 3.86Å; P142-I144 HydrophobicContact CG-CG1 3.86Å; P142-I144 PolarHBondContact O-N 3.46Å; I144-K146 PolarHBondContact O-N 3.18Å
145	T	57.4	Low	73.4	Confident	114 Å²	114	71.9 Å²	71.9	70%	0.699	42%	0.422	S	S	*	.			trans	-60.8	115.1	166.5	48	0	0	0	0	108.4	I143	I143-T145 PolarHBondContact O-N 3.03Å
146	K	59.1	Low	74.9	Confident	186 Å²	186	61.2 Å²	61.2	81%	0.809	38%	0.382	S	S	*	.			trans	-50.1	125.3	173.5	-75.9	-172.8	176.2	-175.8	0	108.9	I144	I144-K146 PolarHBondContact O-N 3.18Å
147	P	63.9	Low	76.2	Confident	39 Å²	39	60 Å²	60	25%	0.253	37%	0.374	S	S	.	.			trans	-71.4	143	-177.2	33.8	-40.5	0	0	0	110.2	A125 E128 R149	A125-P147 HydrophobicContact CB-CB 3.61Å; A125-P147 HydrophobicContact CB-CG 3.89Å; E128-P147 VanDerWaalsContact OE2-CG 3.28Å; E128-P147 WeakPolarHBondContact OE2-CG 3.44Å; P147-R149 PolarHBondContact O-N 3.14Å
148	E	71.1	Confident	77.2	Confident	27 Å²	27	56.9 Å²	56.9	13%	0.126	34%	0.342	C	S	.	.			trans	-72.2	106.8	-172.5	-173.5	-176.5	171.6	0	0	111.1	R44 T50 A125	R44-E148 WeakPolarHBondContact CD-OE2 3.28Å; R44-E148 IonicContact CZ-OE2 2.74Å; R44-E148 IonicContact NE-OE2 2.64Å; R44-E148 VanDerWaalsContact NH1-CD 3.33Å; R44-E148 IonicContact NH1-OE2 3.8Å; R44-E148 PolarHBondContact NH1-OE2 2.95Å; T50-E148 HydrophobicContact CG2-CG 3.99Å; T50-E148 WeakPolarHBondContact CG2-OE1 3.38Å; A125-E148 WeakPolarHBondContact CB-O 3.41Å
149	R	82.9	Confident	78.5	Confident	120 Å²	120	51.9 Å²	51.9	45%	0.453	31%	0.307	S	S	.	.			trans	-86.9	116.7	-176.1	-70.9	179.5	175.2	169	-2.2	111.6	A125 L126 P147	A125-R149 HydrophobicContact CB-CG 3.85Å; A125-R149 PolarHBondContact O-NE 3.44Å; L126-R149 HydrophobicContact CD2-CG 4.18Å; P147-R149 PolarHBondContact O-N 3.14Å
150	V	91.7	Very high	79.7	Confident	7 Å²	7	49.6 Å²	49.6	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	120.8	172.4	169.3	0	0	0	0	110	T50 F122 G152 V153	T50-V150 HydrophobicContact CG2-CG2 4.26Å; T50-V150 WeakPolarHBondContact O-CA 3.19Å; F122-V150 HydrophobicContact CB-CB 4.31Å; F122-V150 HydrophobicContact CB-CG2 4.28Å; F122-V150 HydrophobicContact CD1-CG2 3.74Å; F122-V150 HydrophobicContact CE1-CG2 4.39Å; F122-V150 HydrophobicContact CG-CG2 4.25Å; V150-G152 WeakPolarHBondContact CG1-O 3.36Å; V150-V153 HydrophobicContact CG1-CG2 3.82Å
151	V	93.7	Very high	80.7	Confident	22 Å²	22	48.4 Å²	48.4	13%	0.133	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-17.8	-178.8	-53.7	0	0	0	0	113.9	I49 T50 L51 P175 V441 L446	I49-V151 HydrophobicContact CG2-CB 4.34Å; I49-V151 HydrophobicContact CG2-CG1 4.04Å; I49-V151 HydrophobicContact CG2-CG2 3.36Å; T50-V151 PolarHBondContact O-N 3.44Å; L51-V151 HydrophobicContact CD2-CG2 3.78Å; V151-P175 WeakPolarHBondContact O-CD 3.42Å; V151-V441 HydrophobicContact CB-CB 4.18Å; V151-V441 HydrophobicContact CB-CG2 4.47Å; V151-V441 HydrophobicContact CG1-CB 3.88Å; V151-V441 HydrophobicContact CG1-CG2 3.91Å; V151-L446 HydrophobicContact CG2-CD2 4.45Å
152	G	96	Very high	82.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	153.8	-178.7	0	0	0	0	0	111.1	G52 V150 P175	G52-G152 PolarHBondContact N-O 3.4Å; V150-G152 WeakPolarHBondContact CG1-O 3.36Å; G152-P175 CarbonylContact C-O 3.56Å; G152-P175 VanDerWaalsContact CA-O 3.26Å; G152-P175 WeakPolarHBondContact CA-O 3.47Å
153	V	97.4	Very high	83.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131	-173.1	178	0	0	0	0	111.9	G52 L54 F122 V150 L169 I174 P175 Q176 I177	G52-V153 CarbonylContact O-C 3.53Å; G52-V153 WeakPolarHBondContact O-CA 3.44Å; L54-V153 HydrophobicContact CD1-CG1 3.86Å; L54-V153 HydrophobicContact CG-CG1 4.02Å; F122-V153 HydrophobicContact CD2-CG2 3.95Å; F122-V153 HydrophobicContact CE2-CG1 4.08Å; F122-V153 HydrophobicContact CE2-CG2 4.02Å; V150-V153 HydrophobicContact CG1-CG2 3.82Å; V153-L169 HydrophobicContact CB-CD1 3.75Å; V153-L169 HydrophobicContact CG1-CD1 4.21Å; V153-L169 HydrophobicContact CG2-CD1 3.63Å; V153-L169 HydrophobicContact CG2-CD2 4.12Å; V153-I174 HydrophobicContact CG2-CG2 4.04Å; V153-P175 PolarHBondContact N-O 3.43Å; V153-Q176 HydrophobicContact CB-CG 4.44Å; V153-Q176 CarbonylContact O-C 3.58Å; V153-Q176 WeakPolarHBondContact O-CA 3.46Å; V153-I177 PolarHBondContact O-N 3.26Å
154	I	98.2	Very high	85.1	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	116.7	174.7	-54.7	-59.2	0	0	0	109.4	G52 L54 M82 I177 Y179 A412 V413 M416	G52-I154 PolarHBondContact O-N 2.91Å; L54-I154 PolarHBondContact N-O 3.24Å; M82-I154 HydrophobicContact CE-CB 4.38Å; M82-I154 HydrophobicContact CE-CG1 4.18Å; M82-I154 HydrophobicContact SD-CB 4.29Å; I154-I177 WeakPolarHBondContact CA-O 3.44Å; I154-I177 HydrophobicContact CD1-CB 4.22Å; I154-Y179 HydrophobicContact CG2-CD1 4.01Å; I154-Y179 HydrophobicContact CG2-CE1 4.46Å; I154-A412 HydrophobicContact CD1-CB 4.38Å; I154-A412 HydrophobicContact CG2-CB 4.19Å; I154-V413 HydrophobicContact CG1-CG2 4.26Å; I154-V413 HydrophobicContact CG2-CG2 4.31Å; I154-M416 HydrophobicContact CD1-CB 4.36Å; I154-M416 HydrophobicContact CD1-CE 4.18Å
155	G	94.5	Very high	86.8	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.			trans	122	-159.4	-176.7	0	0	0	0	0	113.7	Q176 I177 S178	G155-Q176 WeakPolarHBondContact O-CG 3.5Å; G155-Q176 PolarHBondContact O-NE2 3.32Å; G155-I177 PolarHBondContact N-O 3.42Å; G155-S178 WeakPolarHBondContact O-CA 3.41Å; G155-S178 WeakPolarHBondContact O-CB 3.28Å
156	A	93	Very high	88.6	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.			cis	-78.9	176.4	-11.6	0	0	0	0	0	111.3	L54 T108 V161 S162 S178 S181	L54-A156 HydrophobicContact CB-CB 4.07Å; L54-A156 HydrophobicContact CD1-CB 4.31Å; T108-A156 HydrophobicContact CG2-CB 4.38Å; A156-V161 HydrophobicContact CB-CB 4.02Å; A156-V161 HydrophobicContact CB-CG1 3.54Å; A156-S162 PolarHBondContact N-OG 3.41Å; A156-S162 VanDerWaalsContact N-OG 3.09Å; A156-S162 PolarHBondContact O-OG 3.35Å; A156-S178 PolarHBondContact O-OG 2.91Å; A156-S181 PolarHBondContact O-OG 3.02Å
157	S	90.3	Very high	90.2	Very high	24 Å²	24	21.5 Å²	21.5	17%	0.168	12%	0.119	C	C	.	.	S	Bend	trans	-76.8	-21.5	-178.8	-178.1	0	0	0	0	115.1	R78 Y179 A180	R78-S157 PolarHBondContact NH1-OG 3.5Å; S157-Y179 WeakPolarHBondContact CB-OH 3.4Å; S157-Y179 PolarHBondContact N-OH 3.49Å; S157-A180 WeakPolarHBondContact O-CB 3.48Å
158	G	88	Confident	91.5	Very high	30 Å²	30	21 Å²	21	31%	0.309	11%	0.114	S	C	.	.	S	Bend	trans	-122.2	134.8	-171.6	0	0	0	0	0	111.7	S160 V161 S162 S181	G158-S160 PolarHBondContact O-N 3.19Å; G158-V161 WeakPolarHBondContact O-CA 3.42Å; G158-V161 VanDerWaalsContact O-CB 3.31Å; G158-V161 WeakPolarHBondContact O-CB 3.23Å; G158-V161 PolarHBondContact O-N 3.3Å; G158-S162 PolarHBondContact O-N 2.84Å; G158-S181 PolarHBondContact O-OG 3.42Å
159	S	92.1	Very high	92.5	Very high	9 Å²	9	19.8 Å²	19.8	6%	0.063	11%	0.109	C	C	.	.	H	α-helix	trans	-57	-43.8	-170	-52.4	0	0	0	0	114.2	V161 S162 I163 T182 A183	S159-V161 VanDerWaalsContact C-N 3.28Å; S159-V161 PolarHBondContact O-N 2.99Å; S159-S162 PolarHBondContact O-N 3.44Å; S159-I163 WeakPolarHBondContact O-CB 3.28Å; S159-I163 VanDerWaalsContact O-CG1 3.28Å; S159-I163 WeakPolarHBondContact O-CG1 3.33Å; S159-I163 PolarHBondContact O-N 3.46Å; S159-T182 PolarHBondContact OG-N 3.44Å; S159-A183 VanDerWaalsContact CB-CB 3.45Å; S159-A183 PolarHBondContact OG-N 2.88Å
160	S	89.1	Confident	93	Very high	28 Å²	28	18.1 Å²	18.1	20%	0.196	10%	0.102	C	C	.	.	H	α-helix	trans	-65.5	-31.4	176.9	68.3	0	0	0	0	113.1	G158 M164	G158-S160 PolarHBondContact O-N 3.19Å; S160-M164 WeakPolarHBondContact O-CG 3.29Å; S160-M164 PolarHBondContact O-N 3.03Å
161	V	90.7	Very high	93	Very high	6 Å²	6	23.6 Å²	23.6	4%	0.036	13%	0.131	C	C	.	.	H	α-helix	trans	-69.3	-48.7	174.6	-176.8	0	0	0	0	109.9	T108 D112 A115 A156 G158 S159 I163 M164 V165	T108-V161 HydrophobicContact CG2-CG1 4.27Å; D112-V161 HydrophobicContact CB-CG2 4.32Å; A115-V161 HydrophobicContact CB-CG1 3.32Å; A156-V161 HydrophobicContact CB-CB 4.02Å; A156-V161 HydrophobicContact CB-CG1 3.54Å; G158-V161 WeakPolarHBondContact O-CA 3.42Å; G158-V161 VanDerWaalsContact O-CB 3.31Å; G158-V161 WeakPolarHBondContact O-CB 3.23Å; G158-V161 PolarHBondContact O-N 3.3Å; S159-V161 VanDerWaalsContact C-N 3.28Å; S159-V161 PolarHBondContact O-N 2.99Å; V161-I163 VanDerWaalsContact C-N 3.33Å; V161-I163 PolarHBondContact O-N 2.82Å; V161-M164 PolarHBondContact O-N 3.37Å; V161-V165 HydrophobicContact CG1-CG2 4.34Å; V161-V165 WeakPolarHBondContact O-CG2 3.5Å; V161-V165 PolarHBondContact O-N 3.32Å
162	S	94.7	Very high	92.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.3	-38.1	178.7	-66.5	0	0	0	0	112.5	A156 G158 S159 V165 A166 S181	A156-S162 PolarHBondContact N-OG 3.41Å; A156-S162 VanDerWaalsContact N-OG 3.09Å; A156-S162 PolarHBondContact O-OG 3.35Å; G158-S162 PolarHBondContact O-N 2.84Å; S159-S162 PolarHBondContact O-N 3.44Å; S162-V165 PolarHBondContact O-N 3.27Å; S162-A166 WeakPolarHBondContact O-CB 3.16Å; S162-A166 PolarHBondContact O-N 3.29Å; S162-S181 WeakPolarHBondContact CB-OG 3.39Å; S162-S181 PolarHBondContact OG-OG 2.9Å
163	I	93.8	Very high	92.8	Very high	12 Å²	12	31.3 Å²	31.3	6%	0.062	16%	0.162	C	C	.	.	H	α-helix	trans	-59.4	-47.4	172.9	-73.6	166.4	0	0	0	111	S159 V161 N167 D185 L186 Y192 S229	S159-I163 WeakPolarHBondContact O-CB 3.28Å; S159-I163 VanDerWaalsContact O-CG1 3.28Å; S159-I163 WeakPolarHBondContact O-CG1 3.33Å; S159-I163 PolarHBondContact O-N 3.46Å; V161-I163 VanDerWaalsContact C-N 3.33Å; V161-I163 PolarHBondContact O-N 2.82Å; I163-N167 PolarHBondContact O-N 2.82Å; I163-N167 PolarHBondContact O-ND2 3.11Å; I163-D185 HydrophobicContact CD1-CB 4.02Å; I163-L186 HydrophobicContact CD1-CG 4.4Å; I163-L186 HydrophobicContact CG1-CD1 4.22Å; I163-L186 HydrophobicContact CG1-CD2 3.62Å; I163-L186 HydrophobicContact CG1-CG 3.78Å; I163-Y192 HydrophobicContact CG2-CE1 4.3Å; I163-Y192 WeakPolarHBondContact CG2-OH 3.3Å; I163-S229 WeakPolarHBondContact CD1-OG 3.46Å
164	M	92.3	Very high	92.7	Very high	74 Å²	74	31.6 Å²	31.6	37%	0.365	16%	0.164	S	C	.	.	H	α-helix	trans	-65	-42.7	178.9	-72.1	-67.8	99.7	0	0	112.2	D112 L116 S160 V161	D112-M164 HydrophobicContact CB-CG 4.15Å; L116-M164 HydrophobicContact CD1-CB 4.21Å; L116-M164 VanDerWaalsContact CD1-O 3.28Å; L116-M164 WeakPolarHBondContact CD1-O 3.49Å; S160-M164 WeakPolarHBondContact O-CG 3.29Å; S160-M164 PolarHBondContact O-N 3.03Å; V161-M164 PolarHBondContact O-N 3.37Å
165	V	93.2	Very high	92.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67.9	-45.9	179.4	172.3	0	0	0	0	112.1	L54 S119 V161 S162 N167 I168 L169	L54-V165 HydrophobicContact CD1-CB 4.4Å; L54-V165 HydrophobicContact CD1-CG1 3.76Å; L54-V165 HydrophobicContact CD1-CG2 3.98Å; S119-V165 WeakPolarHBondContact OG-CG2 3.44Å; V161-V165 HydrophobicContact CG1-CG2 4.34Å; V161-V165 WeakPolarHBondContact O-CG2 3.5Å; V161-V165 PolarHBondContact O-N 3.32Å; S162-V165 PolarHBondContact O-N 3.27Å; V165-N167 PolarHBondContact O-N 3.44Å; V165-I168 PolarHBondContact O-N 3.04Å; V165-L169 HydrophobicContact CG1-CD1 3.56Å; V165-L169 HydrophobicContact CG1-CG 3.86Å; V165-L169 PolarHBondContact O-N 2.98Å
166	A	94.3	Very high	92.8	Very high	5 Å²	5	31.8 Å²	31.8	4%	0.041	17%	0.165	C	C	.	.	H	α-helix	trans	-59.3	-35.5	-179.7	0	0	0	0	0	112.4	S162 I168 L169 R170 Y192	S162-A166 WeakPolarHBondContact O-CB 3.16Å; S162-A166 PolarHBondContact O-N 3.29Å; A166-I168 PolarHBondContact O-N 3.25Å; A166-L169 PolarHBondContact O-N 3.17Å; A166-R170 WeakPolarHBondContact O-CB 3.33Å; A166-R170 WeakPolarHBondContact O-CG 3.26Å; A166-R170 PolarHBondContact O-N 3.47Å; A166-Y192 HydrophobicContact CB-CD1 4.04Å
167	N	92.4	Very high	93	Very high	48 Å²	48	31.8 Å²	31.8	26%	0.257	17%	0.165	S	C	.	.	H	α-helix	trans	-61.3	-27.2	175.5	-84.1	-65.1	0	0	0	113.6	I163 V165	I163-N167 PolarHBondContact O-N 2.82Å; I163-N167 PolarHBondContact O-ND2 3.11Å; V165-N167 PolarHBondContact O-N 3.44Å
168	I	91.4	Very high	93.4	Very high	29 Å²	29	30.6 Å²	30.6	15%	0.149	16%	0.157	C	C	.	.	H	α-helix	trans	-86.2	-51.1	170.5	-65.5	-168.2	0	0	0	110.7	L116 L120 V123 V165 A166 R170 L171 F172	L116-I168 HydrophobicContact CD1-CD1 3.35Å; L116-I168 HydrophobicContact CD1-CG1 3.77Å; L116-I168 HydrophobicContact CG-CD1 4.02Å; L120-I168 HydrophobicContact CD2-CD1 3.72Å; L120-I168 HydrophobicContact CG-CD1 4.29Å; V123-I168 HydrophobicContact CG1-CG2 4.47Å; V123-I168 HydrophobicContact CG2-CG2 4.3Å; V165-I168 PolarHBondContact O-N 3.04Å; A166-I168 PolarHBondContact O-N 3.25Å; I168-R170 VanDerWaalsContact C-N 3.26Å; I168-R170 PolarHBondContact O-N 3.26Å; I168-L171 WeakPolarHBondContact O-CB 3.42Å; I168-L171 PolarHBondContact O-N 3.11Å; I168-F172 HydrophobicContact CG2-CD2 4.26Å; I168-F172 HydrophobicContact CG2-CE2 4.26Å
169	L	93.1	Very high	93.7	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-58.7	-36.3	-172.1	-66.9	-176.6	0	0	0	112.9	V123 V153 V165 A166 L171 F172 K173 I174 Q176	V123-L169 HydrophobicContact CG1-CD2 4.48Å; V153-L169 HydrophobicContact CB-CD1 3.75Å; V153-L169 HydrophobicContact CG1-CD1 4.21Å; V153-L169 HydrophobicContact CG2-CD1 3.63Å; V153-L169 HydrophobicContact CG2-CD2 4.12Å; V165-L169 HydrophobicContact CG1-CD1 3.56Å; V165-L169 HydrophobicContact CG1-CG 3.86Å; V165-L169 PolarHBondContact O-N 2.98Å; A166-L169 PolarHBondContact O-N 3.17Å; L169-L171 VanDerWaalsContact C-N 3.28Å; L169-L171 PolarHBondContact O-N 2.74Å; L169-F172 CarbonylContact O-C 3.58Å; L169-F172 PolarHBondContact O-N 3.2Å; L169-F172 VanDerWaalsContact O-N 3.15Å; L169-K173 PolarHBondContact O-N 3.38Å; L169-I174 HydrophobicContact CB-CB 4.2Å; L169-I174 HydrophobicContact CD2-CB 4.16Å; L169-I174 HydrophobicContact CD2-CD1 4.11Å; L169-I174 HydrophobicContact CD2-CG2 4.21Å; L169-I174 PolarHBondContact O-N 3.49Å; L169-Q176 HydrophobicContact CD1-CB 4.01Å; L169-Q176 HydrophobicContact CD1-CG 4.21Å
170	R	93.2	Very high	93.8	Very high	86 Å²	86	29 Å²	29	33%	0.325	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-60.1	-33.5	175.6	74.7	-176.3	-163.5	135	14.9	113.7	A166 I168 F172 K173 R191 F194	A166-R170 WeakPolarHBondContact O-CB 3.33Å; A166-R170 WeakPolarHBondContact O-CG 3.26Å; A166-R170 PolarHBondContact O-N 3.47Å; I168-R170 VanDerWaalsContact C-N 3.26Å; I168-R170 PolarHBondContact O-N 3.26Å; R170-F172 VanDerWaalsContact C-N 3.25Å; R170-F172 PolarHBondContact O-N 3.42Å; R170-K173 PolarHBondContact O-N 3.05Å; R170-K173 VanDerWaalsContact O-N 3.09Å; R170-R191 WeakPolarHBondContact CD-O 3.46Å; R170-R191 PolarHBondContact NH1-O 3.31Å; R170-F194 HydrophobicContact CB-CB 4.25Å; R170-F194 HydrophobicContact CB-CD2 3.86Å; R170-F194 HydrophobicContact CB-CG 4.43Å
171	L	91.7	Very high	94	Very high	121 Å²	121	27.7 Å²	27.7	63%	0.634	13%	0.132	S	C	*	.	G	3₁₀ helix	trans	-66.2	-32	179	-57.5	175.4	0	0	0	111.6	I168 L169	I168-L171 WeakPolarHBondContact O-CB 3.42Å; I168-L171 PolarHBondContact O-N 3.11Å; L169-L171 VanDerWaalsContact C-N 3.28Å; L169-L171 PolarHBondContact O-N 2.74Å
172	F	91.5	Very high	94.1	Very high	69 Å²	69	27.6 Å²	27.6	30%	0.303	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-97.1	8.3	176	-64.1	-86.4	0	0	0	112.7	V123 L126 I127 I168 L169 R170 I174	V123-F172 HydrophobicContact CB-CD1 4.15Å; V123-F172 HydrophobicContact CB-CD2 3.85Å; V123-F172 HydrophobicContact CB-CE1 4.23Å; V123-F172 HydrophobicContact CB-CE2 3.94Å; V123-F172 HydrophobicContact CB-CG 3.96Å; V123-F172 HydrophobicContact CB-CZ 4.13Å; V123-F172 HydrophobicContact CG1-CB 3.94Å; V123-F172 HydrophobicContact CG1-CD1 4.26Å; V123-F172 HydrophobicContact CG1-CD2 3.49Å; V123-F172 VanDerWaalsContact CG1-CD2 3.49Å; V123-F172 HydrophobicContact CG1-CE2 4.06Å; V123-F172 HydrophobicContact CG1-CG 3.61Å; V123-F172 HydrophobicContact CG2-CD2 4.26Å; V123-F172 HydrophobicContact CG2-CE2 3.96Å; V123-F172 HydrophobicContact CG2-CZ 4.27Å; L126-F172 HydrophobicContact CB-CD1 3.94Å; L126-F172 HydrophobicContact CB-CE1 4.33Å; L126-F172 HydrophobicContact CD1-CB 3.94Å; L126-F172 HydrophobicContact CD1-CD1 4Å; L126-F172 HydrophobicContact CD1-CG 4.33Å; I127-F172 HydrophobicContact CD1-CE1 4.05Å; I127-F172 HydrophobicContact CD1-CZ 3.69Å; I127-F172 HydrophobicContact CG1-CE1 3.66Å; I127-F172 HydrophobicContact CG1-CZ 3.79Å; I168-F172 HydrophobicContact CG2-CD2 4.26Å; I168-F172 HydrophobicContact CG2-CE2 4.26Å; L169-F172 CarbonylContact O-C 3.58Å; L169-F172 PolarHBondContact O-N 3.2Å; L169-F172 VanDerWaalsContact O-N 3.15Å; R170-F172 VanDerWaalsContact C-N 3.25Å; R170-F172 PolarHBondContact O-N 3.42Å; F172-I174 HydrophobicContact CB-CD1 4.09Å; F172-I174 HydrophobicContact CB-CG1 4.1Å; F172-I174 PolarHBondContact O-N 3.45Å
173	K	93.9	Very high	94.1	Very high	115 Å²	115	27.6 Å²	27.6	50%	0.5	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	27	-179.5	-60.2	167.2	165.8	-173.7	0	114.4	L169 R170 P175 F194 G443 T444	L169-K173 PolarHBondContact O-N 3.38Å; R170-K173 PolarHBondContact O-N 3.05Å; R170-K173 VanDerWaalsContact O-N 3.09Å; K173-P175 WeakPolarHBondContact O-CD 3.37Å; K173-F194 VanDerWaalsContact C-CE1 3.48Å; K173-F194 HydrophobicContact CB-CE1 3.8Å; K173-F194 HydrophobicContact CB-CE2 4.31Å; K173-F194 HydrophobicContact CB-CZ 3.59Å; K173-F194 HydrophobicContact CG-CE1 4.49Å; K173-F194 HydrophobicContact CG-CE2 4.24Å; K173-F194 HydrophobicContact CG-CZ 3.78Å; K173-F194 WeakPolarHBondContact O-CD1 3.42Å; K173-F194 WeakPolarHBondContact O-CE1 3.38Å; K173-G443 WeakPolarHBondContact O-CA 3.46Å; K173-T444 HydrophobicContact CB-CG2 4.21Å; K173-T444 HydrophobicContact CD-CG2 3.68Å; K173-T444 HydrophobicContact CG-CG2 4.03Å
174	I	95.8	Very high	94.1	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.036	14%	0.136	C	C	.	.			trans	-86.9	115.7	-179.1	-59.6	175.4	0	0	0	109.1	V123 L126 V153 L169 F172	V123-I174 HydrophobicContact CG1-CD1 3.81Å; L126-I174 HydrophobicContact CD1-CD1 4.02Å; L126-I174 HydrophobicContact CD1-CG1 4.49Å; V153-I174 HydrophobicContact CG2-CG2 4.04Å; L169-I174 HydrophobicContact CB-CB 4.2Å; L169-I174 HydrophobicContact CD2-CB 4.16Å; L169-I174 HydrophobicContact CD2-CD1 4.11Å; L169-I174 HydrophobicContact CD2-CG2 4.21Å; L169-I174 PolarHBondContact O-N 3.49Å; F172-I174 HydrophobicContact CB-CD1 4.09Å; F172-I174 HydrophobicContact CB-CG1 4.1Å; F172-I174 PolarHBondContact O-N 3.45Å
175	P	97	Very high	94.1	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	13%	0.13	C	C	.	.			trans	-68.2	143.7	176.4	27.3	-34.7	0	0	0	112.4	V151 G152 V153 K173 F194 L446 L447 I450	V151-P175 WeakPolarHBondContact O-CD 3.42Å; G152-P175 CarbonylContact C-O 3.56Å; G152-P175 VanDerWaalsContact CA-O 3.26Å; G152-P175 WeakPolarHBondContact CA-O 3.47Å; V153-P175 PolarHBondContact N-O 3.43Å; K173-P175 WeakPolarHBondContact O-CD 3.37Å; P175-F194 WeakPolarHBondContact CA-O 3.44Å; P175-F194 HydrophobicContact CB-CD1 4.43Å; P175-L446 HydrophobicContact CG-CB 4.49Å; P175-L446 HydrophobicContact CG-CD2 3.9Å; P175-L446 HydrophobicContact CG-CG 4.14Å; P175-L447 HydrophobicContact CB-CD1 4.31Å; P175-I450 HydrophobicContact CB-CD1 3.67Å; P175-I450 HydrophobicContact CG-CD1 3.82Å
176	Q	97.4	Very high	94.1	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.009	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.4	-177.9	-176.8	-174.4	-23.7	0	0	110.7	V153 G155 L169 F194 F195 S196	V153-Q176 HydrophobicContact CB-CG 4.44Å; V153-Q176 CarbonylContact O-C 3.58Å; V153-Q176 WeakPolarHBondContact O-CA 3.46Å; G155-Q176 WeakPolarHBondContact O-CG 3.5Å; G155-Q176 PolarHBondContact O-NE2 3.32Å; L169-Q176 HydrophobicContact CD1-CB 4.01Å; L169-Q176 HydrophobicContact CD1-CG 4.21Å; Q176-F194 PolarHBondContact N-O 3.1Å; Q176-F195 HydrophobicContact CB-CD2 4.4Å; Q176-F195 HydrophobicContact CG-CD2 4.24Å; Q176-F195 HydrophobicContact CG-CE2 4.48Å; Q176-F195 CarbonylContact O-C 3.53Å; Q176-S196 PolarHBondContact O-N 3.09Å
177	I	98.1	Very high	94.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	111.3	174.4	-51.5	-178.6	0	0	0	109.6	V153 I154 G155 S196 V198 A412 A415 M416 I450 F465	V153-I177 PolarHBondContact O-N 3.26Å; I154-I177 WeakPolarHBondContact CA-O 3.44Å; I154-I177 HydrophobicContact CD1-CB 4.22Å; G155-I177 PolarHBondContact N-O 3.42Å; I177-S196 CarbonylContact C-O 3.53Å; I177-S196 VanDerWaalsContact CA-O 3.31Å; I177-S196 WeakPolarHBondContact CA-O 3.29Å; I177-V198 HydrophobicContact CG2-CG1 4.06Å; I177-A412 HydrophobicContact CB-CB 4.47Å; I177-A412 HydrophobicContact CG2-CB 3.76Å; I177-A415 HydrophobicContact CD1-CB 4.15Å; I177-M416 HydrophobicContact CD1-CB 4.42Å; I177-M416 HydrophobicContact CD1-CE 3.81Å; I177-M416 HydrophobicContact CG1-CE 3.99Å; I177-I450 HydrophobicContact CD1-CD1 4.2Å; I177-I450 HydrophobicContact CD1-CG1 4.3Å; I177-I450 HydrophobicContact CD1-CG2 3.8Å; I177-I450 HydrophobicContact CG1-CG2 4.2Å; I177-F465 HydrophobicContact CG2-CZ 4.37Å
178	S	97.4	Very high	94.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	138.9	175.4	-172	0	0	0	0	112.9	G155 A156 A180 S181 S196 R197 V198	G155-S178 WeakPolarHBondContact O-CA 3.41Å; G155-S178 WeakPolarHBondContact O-CB 3.28Å; A156-S178 PolarHBondContact O-OG 2.91Å; S178-A180 PolarHBondContact OG-N 3.24Å; S178-S181 VanDerWaalsContact OG-CB 3.27Å; S178-S181 WeakPolarHBondContact OG-CB 3.48Å; S178-S181 PolarHBondContact OG-N 3.44Å; S178-S181 PolarHBondContact OG-OG 3.29Å; S178-S196 PolarHBondContact N-O 2.91Å; S178-R197 VanDerWaalsContact O-CA 3.24Å; S178-R197 WeakPolarHBondContact O-CA 3.01Å; S178-R197 WeakPolarHBondContact O-CB 3.49Å; S178-V198 PolarHBondContact O-N 2.99Å; S178-V198 VanDerWaalsContact O-N 3.14Å
179	Y	95.1	Very high	94.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-95.2	-2.5	174.5	56.7	-99.8	0	0	0	113.8	L54 F55 I154 S157 V199 F408 V409	L54-Y179 PolarHBondContact O-OH 3.14Å; F55-Y179 AromaticContact CD1-CE1 3.96Å; F55-Y179 HydrophobicContact CD1-CE1 3.96Å; F55-Y179 AromaticContact CD1-CZ 3.67Å; F55-Y179 WeakPolarHBondContact CD1-OH 3.37Å; F55-Y179 HydrophobicContact CE1-CD1 4.33Å; F55-Y179 AromaticContact CE1-CE1 3.53Å; F55-Y179 HydrophobicContact CE1-CE1 3.53Å; F55-Y179 AromaticContact CE1-CZ 3.7Å; F55-Y179 HydrophobicContact CZ-CE1 4.24Å; I154-Y179 HydrophobicContact CG2-CD1 4.01Å; I154-Y179 HydrophobicContact CG2-CE1 4.46Å; S157-Y179 WeakPolarHBondContact CB-OH 3.4Å; S157-Y179 PolarHBondContact N-OH 3.49Å; Y179-V199 WeakPolarHBondContact O-CG1 3.22Å; Y179-F408 WeakPolarHBondContact CB-O 3.34Å; Y179-F408 WeakPolarHBondContact O-CB 3.21Å; Y179-V409 HydrophobicContact CD1-CG2 4.12Å; Y179-V409 HydrophobicContact CD2-CG2 3.73Å; Y179-V409 HydrophobicContact CE2-CG2 4.25Å; Y179-V409 HydrophobicContact CG-CB 4.48Å; Y179-V409 HydrophobicContact CG-CG2 3.69Å
180	A	93	Very high	94	Very high	6 Å²	6	33.9 Å²	33.9	5%	0.05	18%	0.177	C	C	.	.	S	Bend	trans	-158	-4.6	-173.9	0	0	0	0	0	117.4	S157 S178 T182 K405	S157-A180 WeakPolarHBondContact O-CB 3.48Å; S178-A180 PolarHBondContact OG-N 3.24Å; A180-T182 PolarHBondContact O-N 3.28Å; A180-K405 HydrophobicContact CB-CD 3.61Å
181	S	93.6	Very high	93.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.			trans	-87.5	101.4	-179.1	-62.9	0	0	0	0	111.6	A156 G158 S162 S178 R197	A156-S181 PolarHBondContact O-OG 3.02Å; G158-S181 PolarHBondContact O-OG 3.42Å; S162-S181 WeakPolarHBondContact CB-OG 3.39Å; S162-S181 PolarHBondContact OG-OG 2.9Å; S178-S181 VanDerWaalsContact OG-CB 3.27Å; S178-S181 WeakPolarHBondContact OG-CB 3.48Å; S178-S181 PolarHBondContact OG-N 3.44Å; S178-S181 PolarHBondContact OG-OG 3.29Å; S181-R197 WeakPolarHBondContact O-CD 3.22Å; S181-R197 PolarHBondContact O-NH1 3.3Å
182	T	94.1	Very high	94	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.018	15%	0.154	C	C	.	.			trans	-98	-5.3	-168.6	54.6	0	0	0	0	115.2	S159 A180 R197 V199 P200 S201 D202	S159-T182 PolarHBondContact OG-N 3.44Å; A180-T182 PolarHBondContact O-N 3.28Å; T182-R197 PolarHBondContact O-NH1 2.92Å; T182-R197 VanDerWaalsContact O-NH1 3.08Å; T182-V199 HydrophobicContact CG2-CB 4.28Å; T182-V199 HydrophobicContact CG2-CG2 3.85Å; T182-P200 WeakPolarHBondContact CG2-O 3.34Å; T182-S201 CarbonylContact O-C 3.6Å; T182-S201 WeakPolarHBondContact O-CA 3.5Å; T182-D202 WeakPolarHBondContact CB-OD1 3.31Å; T182-D202 VanDerWaalsContact O-CG 3.27Å; T182-D202 PolarHBondContact O-N 3.32Å; T182-D202 PolarHBondContact OG1-OD1 3.1Å; T182-D202 PolarHBondContact OG1-OD2 2.83Å
183	A	93.5	Very high	94.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.			trans	-52.2	140.4	-174.9	0	0	0	0	0	114.5	S159 D185 L186 R197 D202 S229	S159-A183 VanDerWaalsContact CB-CB 3.45Å; S159-A183 PolarHBondContact OG-N 2.88Å; A183-D185 VanDerWaalsContact C-N 3.3Å; A183-D185 PolarHBondContact O-N 3.04Å; A183-L186 HydrophobicContact CB-CD1 4.41Å; A183-L186 PolarHBondContact O-N 3.01Å; A183-R197 PolarHBondContact O-NH1 3.11Å; A183-R197 PolarHBondContact O-NH2 3.49Å; A183-D202 VanDerWaalsContact CA-OD2 3.26Å; A183-D202 WeakPolarHBondContact CA-OD2 3.49Å; A183-D202 PolarHBondContact N-OD2 3.22Å; A183-S229 WeakPolarHBondContact CB-O 3.44Å
184	P	93.6	Very high	94.2	Very high	26 Å²	26	25 Å²	25	17%	0.169	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-61.3	-35.1	177.5	-23.7	36.5	0	0	0	113.4	L186 S187 D202 A237	P184-L186 PolarHBondContact O-N 2.79Å; P184-S187 PolarHBondContact O-N 3.48Å; P184-D202 HydrophobicContact CG-CB 4.1Å; P184-A237 HydrophobicContact CG-CB 4.34Å
185	D	92.2	Very high	94.3	Very high	44 Å²	44	24.7 Å²	24.7	24%	0.235	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-46.7	-35.6	178.4	-56.3	22.3	0	0	0	113	I163 A183 S187 D188 Y192 S229 S233	I163-D185 HydrophobicContact CD1-CB 4.02Å; A183-D185 VanDerWaalsContact C-N 3.3Å; A183-D185 PolarHBondContact O-N 3.04Å; D185-S187 VanDerWaalsContact C-N 3.33Å; D185-S187 PolarHBondContact O-N 2.85Å; D185-D188 WeakPolarHBondContact O-CB 3.32Å; D185-D188 PolarHBondContact O-N 2.87Å; D185-Y192 VanDerWaalsContact O-CD2 3.24Å; D185-Y192 WeakPolarHBondContact O-CD2 3.44Å; D185-Y192 WeakPolarHBondContact O-CE2 3.47Å; D185-S229 WeakPolarHBondContact OD2-CB 3.15Å; D185-S229 PolarHBondContact OD2-OG 3.37Å; D185-S233 WeakPolarHBondContact OD1-CB 3.46Å; D185-S233 PolarHBondContact OD1-OG 3.17Å
186	L	94.2	Very high	94.3	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-77.9	-12.2	-174.4	-75.2	163.9	0	0	0	114.1	I163 A183 P184 Y192 F195	I163-L186 HydrophobicContact CD1-CG 4.4Å; I163-L186 HydrophobicContact CG1-CD1 4.22Å; I163-L186 HydrophobicContact CG1-CD2 3.62Å; I163-L186 HydrophobicContact CG1-CG 3.78Å; A183-L186 HydrophobicContact CB-CD1 4.41Å; A183-L186 PolarHBondContact O-N 3.01Å; P184-L186 PolarHBondContact O-N 2.79Å; L186-Y192 HydrophobicContact CD2-CD1 4.41Å; L186-Y192 HydrophobicContact CD2-CD2 4.41Å; L186-Y192 HydrophobicContact CD2-CG 4.25Å; L186-F195 HydrophobicContact CB-CD1 3.92Å; L186-F195 HydrophobicContact CB-CE1 3.68Å; L186-F195 HydrophobicContact CB-CZ 4.27Å; L186-F195 HydrophobicContact CD1-CE1 4.09Å; L186-F195 HydrophobicContact CD1-CE2 4.35Å; L186-F195 HydrophobicContact CD1-CZ 3.81Å; L186-F195 HydrophobicContact CD2-CD1 4.16Å; L186-F195 HydrophobicContact CD2-CD2 4.12Å; L186-F195 HydrophobicContact CD2-CE1 4.19Å; L186-F195 HydrophobicContact CD2-CE2 4.14Å; L186-F195 HydrophobicContact CD2-CG 4.14Å; L186-F195 HydrophobicContact CD2-CZ 4.17Å; L186-F195 HydrophobicContact CG-CE1 4.21Å; L186-F195 HydrophobicContact CG-CZ 4.32Å
187	S	94.3	Very high	94.3	Very high	19 Å²	19	24.6 Å²	24.6	13%	0.133	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-78.4	-6.2	172.1	-62.2	0	0	0	0	112.9	P184 D185 N189 R197 D470	P184-S187 PolarHBondContact O-N 3.48Å; D185-S187 VanDerWaalsContact C-N 3.33Å; D185-S187 PolarHBondContact O-N 2.85Å; S187-N189 PolarHBondContact O-N 2.86Å; S187-R197 PolarHBondContact OG-NH2 3.27Å; S187-D470 WeakPolarHBondContact CB-OD2 3.41Å; S187-D470 VanDerWaalsContact OG-CG 3.27Å; S187-D470 PolarHBondContact OG-OD1 3.04Å; S187-D470 VanDerWaalsContact OG-OD1 3.12Å; S187-D470 PolarHBondContact OG-OD2 3.15Å
188	D	93.7	Very high	94.1	Very high	59 Å²	59	25.1 Å²	25.1	32%	0.316	14%	0.136	S	C	.	.			trans	-74.3	89.6	178.7	-177	-0.3	0	0	0	111.6	D185 S190 R191 Y192	D185-D188 WeakPolarHBondContact O-CB 3.32Å; D185-D188 PolarHBondContact O-N 2.87Å; D188-S190 PolarHBondContact O-N 3.35Å; D188-S190 WeakPolarHBondContact OD1-CA 3.08Å; D188-S190 VanDerWaalsContact OD1-CB 3.28Å; D188-S190 WeakPolarHBondContact OD1-CB 3.47Å; D188-S190 PolarHBondContact OD1-N 3.41Å; D188-S190 PolarHBondContact OD1-OG 3.11Å; D188-S190 PolarHBondContact OD2-OG 3.27Å; D188-R191 PolarHBondContact O-N 3Å; D188-R191 WeakPolarHBondContact OD2-CD 3.23Å; D188-R191 VanDerWaalsContact OD2-CG 3.31Å; D188-R191 WeakPolarHBondContact OD2-CG 3.45Å; D188-Y192 HydrophobicContact CB-CD2 4.35Å; D188-Y192 PolarHBondContact O-N 3.46Å
189	N	89.3	Confident	93.9	Very high	56 Å²	56	25.1 Å²	25.1	30%	0.299	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-23.3	172.5	-94.1	-38	0	0	0	114.4	S187 R191 R451 E467 N468	S187-N189 PolarHBondContact O-N 2.86Å; N189-R191 VanDerWaalsContact C-N 3.3Å; N189-R451 VanDerWaalsContact OD1-CZ 3.3Å; N189-R451 PolarHBondContact OD1-NH1 3.23Å; N189-R451 PolarHBondContact OD1-NH2 2.98Å; N189-E467 PolarHBondContact ND2-O 3.37Å; N189-N468 PolarHBondContact ND2-OD1 2.92Å
190	S	91.2	Very high	93.9	Very high	96 Å²	96	25.5 Å²	25.5	67%	0.671	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-18	178.1	78.7	0	0	0	0	113.2	D188	D188-S190 PolarHBondContact O-N 3.35Å; D188-S190 WeakPolarHBondContact OD1-CA 3.08Å; D188-S190 VanDerWaalsContact OD1-CB 3.28Å; D188-S190 WeakPolarHBondContact OD1-CB 3.47Å; D188-S190 PolarHBondContact OD1-N 3.41Å; D188-S190 PolarHBondContact OD1-OG 3.11Å; D188-S190 PolarHBondContact OD2-OG 3.27Å
191	R	91.8	Very high	94	Very high	122 Å²	122	25.3 Å²	25.3	46%	0.46	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-36.7	-178.7	-66.7	177.4	65.8	-172.6	-2.6	112.9	R170 D188 N189	R170-R191 WeakPolarHBondContact CD-O 3.46Å; R170-R191 PolarHBondContact NH1-O 3.31Å; D188-R191 PolarHBondContact O-N 3Å; D188-R191 WeakPolarHBondContact OD2-CD 3.23Å; D188-R191 VanDerWaalsContact OD2-CG 3.31Å; D188-R191 WeakPolarHBondContact OD2-CG 3.45Å; N189-R191 VanDerWaalsContact C-N 3.3Å
192	Y	94.1	Very high	94	Very high	5 Å²	5	25.3 Å²	25.3	2%	0.02	14%	0.137	C	C	.	.			trans	-124.2	43	-171.9	-50	-68.1	0	0	0	111.7	I163 A166 D185 L186 D188 F194 F195	I163-Y192 HydrophobicContact CG2-CE1 4.3Å; I163-Y192 WeakPolarHBondContact CG2-OH 3.3Å; A166-Y192 HydrophobicContact CB-CD1 4.04Å; D185-Y192 VanDerWaalsContact O-CD2 3.24Å; D185-Y192 WeakPolarHBondContact O-CD2 3.44Å; D185-Y192 WeakPolarHBondContact O-CE2 3.47Å; L186-Y192 HydrophobicContact CD2-CD1 4.41Å; L186-Y192 HydrophobicContact CD2-CD2 4.41Å; L186-Y192 HydrophobicContact CD2-CG 4.25Å; D188-Y192 HydrophobicContact CB-CD2 4.35Å; D188-Y192 PolarHBondContact O-N 3.46Å; Y192-F194 PolarHBondContact O-N 3.47Å; Y192-F195 VanDerWaalsContact O-CB 3.29Å; Y192-F195 WeakPolarHBondContact O-CB 3.47Å; Y192-F195 PolarHBondContact O-N 3Å
193	D	93.4	Very high	94	Very high	60 Å²	60	27.9 Å²	27.9	32%	0.321	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.5	-42	175	58.3	-25.4	0	0	0	114.3	F195 L447 R451	D193-F195 VanDerWaalsContact C-N 3.32Å; D193-F195 PolarHBondContact O-N 3.44Å; D193-L447 WeakPolarHBondContact O-CD2 3.42Å; D193-R451 PolarHBondContact O-NH2 3.13Å
194	F	95.9	Very high	94.1	Very high	16 Å²	16	31.2 Å²	31.2	7%	0.07	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	2.6	177.4	-76.9	-86.6	0	0	0	115.4	R170 K173 P175 Q176 Y192 T444 L447	R170-F194 HydrophobicContact CB-CB 4.25Å; R170-F194 HydrophobicContact CB-CD2 3.86Å; R170-F194 HydrophobicContact CB-CG 4.43Å; K173-F194 VanDerWaalsContact C-CE1 3.48Å; K173-F194 HydrophobicContact CB-CE1 3.8Å; K173-F194 HydrophobicContact CB-CE2 4.31Å; K173-F194 HydrophobicContact CB-CZ 3.59Å; K173-F194 HydrophobicContact CG-CE1 4.49Å; K173-F194 HydrophobicContact CG-CE2 4.24Å; K173-F194 HydrophobicContact CG-CZ 3.78Å; K173-F194 WeakPolarHBondContact O-CD1 3.42Å; K173-F194 WeakPolarHBondContact O-CE1 3.38Å; P175-F194 WeakPolarHBondContact CA-O 3.44Å; P175-F194 HydrophobicContact CB-CD1 4.43Å; Q176-F194 PolarHBondContact N-O 3.1Å; Y192-F194 PolarHBondContact O-N 3.47Å; F194-T444 HydrophobicContact CE1-CG2 4.29Å; F194-T444 HydrophobicContact CZ-CG2 3.76Å; F194-L447 HydrophobicContact CD1-CD2 3.98Å; F194-L447 HydrophobicContact CE1-CD2 4.07Å; F194-L447 HydrophobicContact CG-CD2 4.38Å
195	F	97.3	Very high	94.1	Very high	2 Å²	2	30 Å²	30	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	149.4	178.5	-172.6	-97.6	0	0	0	112.2	Q176 L186 Y192 D193 R197	Q176-F195 HydrophobicContact CB-CD2 4.4Å; Q176-F195 HydrophobicContact CG-CD2 4.24Å; Q176-F195 HydrophobicContact CG-CE2 4.48Å; Q176-F195 CarbonylContact O-C 3.53Å; L186-F195 HydrophobicContact CB-CD1 3.92Å; L186-F195 HydrophobicContact CB-CE1 3.68Å; L186-F195 HydrophobicContact CB-CZ 4.27Å; L186-F195 HydrophobicContact CD1-CE1 4.09Å; L186-F195 HydrophobicContact CD1-CE2 4.35Å; L186-F195 HydrophobicContact CD1-CZ 3.81Å; L186-F195 HydrophobicContact CD2-CD1 4.16Å; L186-F195 HydrophobicContact CD2-CD2 4.12Å; L186-F195 HydrophobicContact CD2-CE1 4.19Å; L186-F195 HydrophobicContact CD2-CE2 4.14Å; L186-F195 HydrophobicContact CD2-CG 4.14Å; L186-F195 HydrophobicContact CD2-CZ 4.17Å; L186-F195 HydrophobicContact CG-CE1 4.21Å; L186-F195 HydrophobicContact CG-CZ 4.32Å; Y192-F195 VanDerWaalsContact O-CB 3.29Å; Y192-F195 WeakPolarHBondContact O-CB 3.47Å; Y192-F195 PolarHBondContact O-N 3Å; D193-F195 VanDerWaalsContact C-N 3.32Å; D193-F195 PolarHBondContact O-N 3.44Å; F195-R197 HydrophobicContact CE1-CB 4.04Å; F195-R197 HydrophobicContact CE1-CG 3.94Å; F195-R197 HydrophobicContact CZ-CB 4.17Å; F195-R197 HydrophobicContact CZ-CG 4.5Å
196	S	97.3	Very high	94.3	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.007	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	165	168.1	-64.6	0	0	0	0	109.4	Q176 I177 S178 G469	Q176-S196 PolarHBondContact O-N 3.09Å; I177-S196 CarbonylContact C-O 3.53Å; I177-S196 VanDerWaalsContact CA-O 3.31Å; I177-S196 WeakPolarHBondContact CA-O 3.29Å; S178-S196 PolarHBondContact N-O 2.91Å; S196-G469 CarbonylContact C-O 3.54Å; S196-G469 VanDerWaalsContact CA-O 3.28Å; S196-G469 WeakPolarHBondContact CA-O 3.46Å; S196-G469 WeakPolarHBondContact CB-O 3.07Å
197	R	96.4	Very high	94.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	138.5	-179.5	53.1	177.1	167.9	-153.7	-5.6	113.6	S178 S181 T182 A183 S187 F195 V199 S201 F465 G469 D470 A471	S178-R197 VanDerWaalsContact O-CA 3.24Å; S178-R197 WeakPolarHBondContact O-CA 3.01Å; S178-R197 WeakPolarHBondContact O-CB 3.49Å; S181-R197 WeakPolarHBondContact O-CD 3.22Å; S181-R197 PolarHBondContact O-NH1 3.3Å; T182-R197 PolarHBondContact O-NH1 2.92Å; T182-R197 VanDerWaalsContact O-NH1 3.08Å; A183-R197 PolarHBondContact O-NH1 3.11Å; A183-R197 PolarHBondContact O-NH2 3.49Å; S187-R197 PolarHBondContact OG-NH2 3.27Å; F195-R197 HydrophobicContact CE1-CB 4.04Å; F195-R197 HydrophobicContact CE1-CG 3.94Å; F195-R197 HydrophobicContact CZ-CB 4.17Å; F195-R197 HydrophobicContact CZ-CG 4.5Å; R197-V199 HydrophobicContact CB-CG2 4.25Å; R197-V199 WeakPolarHBondContact CD-O 3.4Å; R197-V199 WeakPolarHBondContact CG-O 3.34Å; R197-V199 PolarHBondContact O-N 3.47Å; R197-S201 PolarHBondContact NH2-OG 2.95Å; R197-F465 WeakPolarHBondContact O-CE1 3.44Å; R197-G469 PolarHBondContact N-O 2.95Å; R197-D470 IonicContact CZ-OD1 2.7Å; R197-D470 IonicContact NE-OD1 3.43Å; R197-D470 PolarHBondContact NE-OD1 3.16Å; R197-D470 IonicContact NH2-OD1 2.69Å; R197-D470 PolarHBondContact NH2-OD1 3.32Å; R197-A471 PolarHBondContact O-N 2.82Å; R197-A471 VanDerWaalsContact O-N 3.08Å
198	V	95.1	Very high	94.4	Very high	11 Å²	11	28.4 Å²	28.4	7%	0.067	15%	0.147	C	C	.	.	S	Bend	trans	-86.2	11.7	177	-60	0	0	0	0	113	I177 S178 F408 D411 A412 V463 F465	I177-V198 HydrophobicContact CG2-CG1 4.06Å; S178-V198 PolarHBondContact O-N 2.99Å; S178-V198 VanDerWaalsContact O-N 3.14Å; V198-F408 HydrophobicContact CG2-CB 4Å; V198-F408 HydrophobicContact CG2-CD1 4.5Å; V198-F408 WeakPolarHBondContact CG2-O 3.46Å; V198-D411 HydrophobicContact CG2-CB 4.48Å; V198-A412 HydrophobicContact CG1-CB 4.35Å; V198-A412 HydrophobicContact CG2-CB 3.93Å; V198-V463 HydrophobicContact CG1-CG1 4Å; V198-F465 HydrophobicContact CG1-CE1 3.8Å; V198-F465 HydrophobicContact CG1-CZ 3.83Å
199	V	93.8	Very high	94.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-119.4	145.5	171.9	-69	0	0	0	0	109.6	Y179 T182 R197 F408	Y179-V199 WeakPolarHBondContact O-CG1 3.22Å; T182-V199 HydrophobicContact CG2-CB 4.28Å; T182-V199 HydrophobicContact CG2-CG2 3.85Å; R197-V199 HydrophobicContact CB-CG2 4.25Å; R197-V199 WeakPolarHBondContact CD-O 3.4Å; R197-V199 WeakPolarHBondContact CG-O 3.34Å; R197-V199 PolarHBondContact O-N 3.47Å; V199-F408 HydrophobicContact CG1-CB 3.99Å; V199-F408 HydrophobicContact CG1-CD1 3.8Å; V199-F408 HydrophobicContact CG1-CD2 3.68Å; V199-F408 HydrophobicContact CG1-CE1 4.21Å; V199-F408 HydrophobicContact CG1-CE2 4.11Å; V199-F408 HydrophobicContact CG1-CG 3.54Å; V199-F408 HydrophobicContact CG1-CZ 4.37Å
200	P	94.2	Very high	94.9	Very high	8 Å²	8	23 Å²	23	5%	0.052	12%	0.117	C	C	.	.			trans	-69.7	155.8	-178.4	28.7	-36	0	0	0	113	T182 Y204 P336 A471 Y475	T182-P200 WeakPolarHBondContact CG2-O 3.34Å; P200-Y204 HydrophobicContact CB-CD2 4.3Å; P200-P336 HydrophobicContact CG-CB 4.4Å; P200-P336 HydrophobicContact CG-CG 4.48Å; P200-A471 WeakPolarHBondContact CA-O 3.34Å; P200-Y475 HydrophobicContact CG-CE1 4.09Å; P200-Y475 HydrophobicContact CG-CE2 4.4Å; P200-Y475 WeakPolarHBondContact CG-OH 3.24Å
201	S	95	Very high	95.1	Very high	2 Å²	2	20 Å²	20	1%	0.014	9%	0.094	C	C	.	.			trans	-66.7	145.8	173.7	-175.3	0	0	0	0	112.3	T182 R197 T203 Y204 Q205 Y475	T182-S201 CarbonylContact O-C 3.6Å; T182-S201 WeakPolarHBondContact O-CA 3.5Å; R197-S201 PolarHBondContact NH2-OG 2.95Å; S201-T203 PolarHBondContact O-N 2.71Å; S201-T203 PolarHBondContact OG-N 3.1Å; S201-T203 PolarHBondContact OG-OG1 3.09Å; S201-Y204 PolarHBondContact O-N 3.43Å; S201-Q205 PolarHBondContact O-N 3.37Å; S201-Y475 PolarHBondContact O-OH 3.36Å
202	D	93.9	Very high	95.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.6	-15.2	173.3	-62.7	-39.5	0	0	0	112	T182 A183 P184 Y204 Q205 A206 Y230	T182-D202 WeakPolarHBondContact CB-OD1 3.31Å; T182-D202 VanDerWaalsContact O-CG 3.27Å; T182-D202 PolarHBondContact O-N 3.32Å; T182-D202 PolarHBondContact OG1-OD1 3.1Å; T182-D202 PolarHBondContact OG1-OD2 2.83Å; A183-D202 VanDerWaalsContact CA-OD2 3.26Å; A183-D202 WeakPolarHBondContact CA-OD2 3.49Å; A183-D202 PolarHBondContact N-OD2 3.22Å; P184-D202 HydrophobicContact CG-CB 4.1Å; D202-Y204 VanDerWaalsContact C-N 3.31Å; D202-Y204 PolarHBondContact O-N 2.97Å; D202-Q205 HydrophobicContact CB-CB 4.47Å; D202-Q205 WeakPolarHBondContact O-CB 3.26Å; D202-Q205 PolarHBondContact O-N 3.46Å; D202-Q205 PolarHBondContact OD1-OE1 3.18Å; D202-A206 VanDerWaalsContact O-CB 3.28Å; D202-A206 WeakPolarHBondContact O-CB 3.33Å; D202-A206 PolarHBondContact O-N 2.95Å; D202-Y230 VanDerWaalsContact OD2-CD2 3.31Å; D202-Y230 WeakPolarHBondContact OD2-CD2 3.49Å
203	T	93.9	Very high	95.3	Very high	56 Å²	56	14 Å²	14	34%	0.344	7%	0.071	S	C	.	.	H	α-helix	trans	-59.5	-39.7	169.3	-48	0	0	0	0	112.1	S201 Q207	S201-T203 PolarHBondContact O-N 2.71Å; S201-T203 PolarHBondContact OG-N 3.1Å; S201-T203 PolarHBondContact OG-OG1 3.09Å; T203-Q207 PolarHBondContact O-N 3.13Å; T203-Q207 VanDerWaalsContact O-N 3.17Å
204	Y	94.7	Very high	95.3	Very high	71 Å²	71	16.8 Å²	16.8	28%	0.278	8%	0.077	S	C	.	.	H	α-helix	trans	-74.9	-34.1	174.4	-61.7	-73.9	0	0	0	111.5	P200 S201 D202 Q207 A208 W495	P200-Y204 HydrophobicContact CB-CD2 4.3Å; S201-Y204 PolarHBondContact O-N 3.43Å; D202-Y204 VanDerWaalsContact C-N 3.31Å; D202-Y204 PolarHBondContact O-N 2.97Å; Y204-Q207 PolarHBondContact O-N 3.32Å; Y204-A208 PolarHBondContact O-N 3.45Å; Y204-W495 HydrophobicContact CD1-CH2 4.17Å
205	Q	95	Very high	95.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62	-45.2	174.2	-168.4	-178.1	84.7	0	0	110.9	S201 D202 A208 M209 D312 I334 Y475	S201-Q205 PolarHBondContact O-N 3.37Å; D202-Q205 HydrophobicContact CB-CB 4.47Å; D202-Q205 WeakPolarHBondContact O-CB 3.26Å; D202-Q205 PolarHBondContact O-N 3.46Å; D202-Q205 PolarHBondContact OD1-OE1 3.18Å; Q205-A208 PolarHBondContact O-N 3.2Å; Q205-M209 WeakPolarHBondContact O-CG 3.48Å; Q205-M209 PolarHBondContact O-N 3.39Å; Q205-D312 PolarHBondContact NE2-OD1 2.96Å; Q205-I334 HydrophobicContact CG-CD1 3.38Å; Q205-I334 HydrophobicContact CG-CG1 4.1Å; Q205-Y475 HydrophobicContact CB-CE1 4.16Å; Q205-Y475 HydrophobicContact CG-CE1 4.27Å; Q205-Y475 PolarHBondContact N-OH 2.92Å
206	A	95.8	Very high	94.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.8	-43.6	175.8	0	0	0	0	0	112.3	D202 M209 V210 A237 F238 F284	D202-A206 VanDerWaalsContact O-CB 3.28Å; D202-A206 WeakPolarHBondContact O-CB 3.33Å; D202-A206 PolarHBondContact O-N 2.95Å; A206-M209 PolarHBondContact O-N 3.18Å; A206-V210 WeakPolarHBondContact O-CG2 3.26Å; A206-V210 PolarHBondContact O-N 2.92Å; A206-A237 HydrophobicContact CB-CB 3.82Å; A206-F238 HydrophobicContact CB-CB 4.17Å; A206-F284 HydrophobicContact CB-CZ 4.43Å
207	Q	95.4	Very high	94.7	Very high	32 Å²	32	25.6 Å²	25.6	15%	0.15	12%	0.122	C	C	.	.	H	α-helix	trans	-58.7	-50.9	173.4	-172.7	64.6	59.9	0	0	111.2	T203 Y204 M209 V210 D211 D245 W495	T203-Q207 PolarHBondContact O-N 3.13Å; T203-Q207 VanDerWaalsContact O-N 3.17Å; Y204-Q207 PolarHBondContact O-N 3.32Å; Q207-M209 VanDerWaalsContact C-N 3.27Å; Q207-M209 PolarHBondContact O-N 2.98Å; Q207-V210 PolarHBondContact O-N 3.44Å; Q207-V210 VanDerWaalsContact O-N 3.1Å; Q207-D211 PolarHBondContact NE2-OD1 3.01Å; Q207-D211 VanDerWaalsContact O-CG 3.28Å; Q207-D211 PolarHBondContact O-N 3.19Å; Q207-D245 PolarHBondContact NE2-OD2 3.3Å; Q207-W495 HydrophobicContact CB-CZ2 4.25Å; Q207-W495 HydrophobicContact CG-CZ2 3.88Å
208	A	96	Very high	94.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58.6	-37.9	178.1	0	0	0	0	0	112.4	Y204 Q205 I212 Y475 W495	Y204-A208 PolarHBondContact O-N 3.45Å; Q205-A208 PolarHBondContact O-N 3.2Å; A208-I212 VanDerWaalsContact O-CD1 3.3Å; A208-I212 WeakPolarHBondContact O-CD1 3.05Å; A208-I212 WeakPolarHBondContact O-CG1 3.44Å; A208-I212 PolarHBondContact O-N 3.39Å; A208-I212 VanDerWaalsContact O-N 3.08Å; A208-Y475 HydrophobicContact CB-CD2 4.47Å; A208-W495 HydrophobicContact CB-CB 4.14Å; A208-W495 HydrophobicContact CB-CD2 3.82Å; A208-W495 HydrophobicContact CB-CG 3.62Å
209	M	96.4	Very high	94.4	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.8	-44.5	173.9	-70.8	174.4	113.4	0	0	112.4	Q205 A206 Q207 D211 I212 V213 F238 I282 F284 M309 I334	Q205-M209 WeakPolarHBondContact O-CG 3.48Å; Q205-M209 PolarHBondContact O-N 3.39Å; A206-M209 PolarHBondContact O-N 3.18Å; Q207-M209 VanDerWaalsContact C-N 3.27Å; Q207-M209 PolarHBondContact O-N 2.98Å; M209-D211 VanDerWaalsContact C-N 3.34Å; M209-D211 PolarHBondContact O-N 3.19Å; M209-I212 PolarHBondContact O-N 3.37Å; M209-V213 VanDerWaalsContact O-CG2 3.27Å; M209-V213 WeakPolarHBondContact O-CG2 3.46Å; M209-V213 PolarHBondContact O-N 3.24Å; M209-F238 HydrophobicContact CB-CD2 3.84Å; M209-F238 HydrophobicContact CB-CE2 3.85Å; M209-I282 HydrophobicContact CE-CG2 3.76Å; M209-I282 HydrophobicContact SD-CG2 4.24Å; M209-F284 HydrophobicContact CE-CE2 4.22Å; M209-F284 HydrophobicContact SD-CE1 4.24Å; M209-F284 HydrophobicContact SD-CE2 3.54Å; M209-F284 VanDerWaalsContact SD-CE2 3.54Å; M209-F284 HydrophobicContact SD-CZ 3.38Å; M209-F284 WeakPolarHBondContact SD-CZ 3.35Å; M209-M309 HydrophobicContact CB-SD 3.89Å; M209-M309 HydrophobicContact CE-CB 4.46Å; M209-M309 HydrophobicContact CE-CG 3.78Å; M209-M309 HydrophobicContact CE-SD 4.18Å; M209-M309 HydrophobicContact CG-SD 3.94Å; M209-I334 HydrophobicContact CE-CD1 4.19Å; M209-I334 HydrophobicContact CG-CD1 3.38Å; M209-I334 HydrophobicContact SD-CD1 3.79Å
210	V	96.1	Very high	94.4	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60	-44.8	176	169.9	0	0	0	0	110.7	A206 Q207 I212 V213 R214 F238 K241 D245	A206-V210 WeakPolarHBondContact O-CG2 3.26Å; A206-V210 PolarHBondContact O-N 2.92Å; Q207-V210 PolarHBondContact O-N 3.44Å; Q207-V210 VanDerWaalsContact O-N 3.1Å; V210-I212 VanDerWaalsContact C-N 3.33Å; V210-I212 PolarHBondContact O-N 2.72Å; V210-V213 PolarHBondContact O-N 3.17Å; V210-R214 HydrophobicContact CG1-CG 4.44Å; V210-R214 WeakPolarHBondContact O-CG 3.39Å; V210-R214 PolarHBondContact O-N 2.98Å; V210-F238 HydrophobicContact CB-CE2 4.45Å; V210-F238 HydrophobicContact CG2-CD2 3.64Å; V210-F238 HydrophobicContact CG2-CE2 3.54Å; V210-F238 HydrophobicContact CG2-CG 4.38Å; V210-F238 HydrophobicContact CG2-CZ 4.21Å; V210-K241 HydrophobicContact CG2-CB 3.85Å; V210-D245 HydrophobicContact CG1-CB 4.24Å
211	D	95.6	Very high	94.5	Very high	35 Å²	35	27.7 Å²	27.7	19%	0.187	13%	0.13	C	C	.	.	H	α-helix	trans	-59	-43.8	177.2	-63.4	-12.2	0	0	0	111.6	Q207 M209 R214 A215 W495 L499	Q207-D211 PolarHBondContact NE2-OD1 3.01Å; Q207-D211 VanDerWaalsContact O-CG 3.28Å; Q207-D211 PolarHBondContact O-N 3.19Å; M209-D211 VanDerWaalsContact C-N 3.34Å; M209-D211 PolarHBondContact O-N 3.19Å; D211-R214 PolarHBondContact O-N 3.4Å; D211-A215 WeakPolarHBondContact O-CB 3.18Å; D211-A215 PolarHBondContact O-N 3.09Å; D211-W495 PolarHBondContact OD2-NE1 3.35Å; D211-L499 HydrophobicContact CB-CB 4.01Å; D211-L499 HydrophobicContact CB-CD2 3.89Å; D211-L499 WeakPolarHBondContact O-CD2 3.34Å
212	I	95.4	Very high	94.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.2	-46.3	177.9	-62.9	159.1	0	0	0	110.5	A208 M209 V210 R214 A215 L216 M309 V332 I334 I477 L499 L501	A208-I212 VanDerWaalsContact O-CD1 3.3Å; A208-I212 WeakPolarHBondContact O-CD1 3.05Å; A208-I212 WeakPolarHBondContact O-CG1 3.44Å; A208-I212 PolarHBondContact O-N 3.39Å; A208-I212 VanDerWaalsContact O-N 3.08Å; M209-I212 PolarHBondContact O-N 3.37Å; V210-I212 VanDerWaalsContact C-N 3.33Å; V210-I212 PolarHBondContact O-N 2.72Å; I212-R214 VanDerWaalsContact C-N 3.27Å; I212-R214 PolarHBondContact O-N 3.32Å; I212-A215 PolarHBondContact O-N 3.14Å; I212-A215 VanDerWaalsContact O-N 3.14Å; I212-L216 HydrophobicContact CG2-CD1 3.85Å; I212-L216 HydrophobicContact CG2-CG 4.19Å; I212-L216 WeakPolarHBondContact O-CB 3.38Å; I212-L216 VanDerWaalsContact O-CG 3.29Å; I212-L216 WeakPolarHBondContact O-CG 3.31Å; I212-L216 PolarHBondContact O-N 2.86Å; I212-M309 HydrophobicContact CB-CE 3.92Å; I212-M309 HydrophobicContact CG2-CE 3.47Å; I212-M309 VanDerWaalsContact CG2-CE 3.47Å; I212-V332 HydrophobicContact CG2-CG1 4.34Å; I212-I334 HydrophobicContact CD1-CG2 3.93Å; I212-I477 HydrophobicContact CD1-CD1 3.82Å; I212-I477 HydrophobicContact CD1-CG1 4.2Å; I212-I477 HydrophobicContact CD1-CG2 4.01Å; I212-I477 HydrophobicContact CG1-CD1 4.14Å; I212-L499 HydrophobicContact CB-CD2 4.42Å; I212-L499 HydrophobicContact CG1-CD1 3.78Å; I212-L499 HydrophobicContact CG1-CD2 3.91Å; I212-L501 HydrophobicContact CG2-CD2 4.42Å
213	V	95.5	Very high	94.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-56.5	-42.5	176.8	170.8	0	0	0	0	110.9	M209 V210 L216 K217 W218 V221 F238 V248 I282 M309	M209-V213 VanDerWaalsContact O-CG2 3.27Å; M209-V213 WeakPolarHBondContact O-CG2 3.46Å; M209-V213 PolarHBondContact O-N 3.24Å; V210-V213 PolarHBondContact O-N 3.17Å; V213-L216 PolarHBondContact O-N 2.81Å; V213-K217 PolarHBondContact O-N 2.96Å; V213-W218 HydrophobicContact CG1-CB 3.88Å; V213-W218 HydrophobicContact CG2-CE3 4.26Å; V213-W218 PolarHBondContact O-N 3.34Å; V213-W218 VanDerWaalsContact O-N 3.11Å; V213-V221 HydrophobicContact CG1-CG1 3.88Å; V213-F238 HydrophobicContact CG2-CE2 4.33Å; V213-F238 HydrophobicContact CG2-CZ 4.23Å; V213-V248 HydrophobicContact CG1-CG1 3.89Å; V213-V248 HydrophobicContact CG1-CG2 3.73Å; V213-I282 HydrophobicContact CG2-CD1 3.77Å; V213-M309 HydrophobicContact CG2-CE 3.63Å; V213-M309 HydrophobicContact CG2-SD 3.93Å
214	R	93.1	Very high	95	Very high	119 Å²	119	24.9 Å²	24.9	45%	0.449	11%	0.113	S	C	.	.	H	α-helix	trans	-66.3	-43.4	175	-69.8	-176.8	74.5	157.2	17.7	112.5	V210 D211 I212 L216 K217 D245 V248	V210-R214 HydrophobicContact CG1-CG 4.44Å; V210-R214 WeakPolarHBondContact O-CG 3.39Å; V210-R214 PolarHBondContact O-N 2.98Å; D211-R214 PolarHBondContact O-N 3.4Å; I212-R214 VanDerWaalsContact C-N 3.27Å; I212-R214 PolarHBondContact O-N 3.32Å; R214-L216 VanDerWaalsContact C-N 3.32Å; R214-L216 PolarHBondContact O-N 3.46Å; R214-K217 WeakPolarHBondContact O-CA 3.16Å; R214-K217 PolarHBondContact O-N 3.09Å; R214-D245 PolarHBondContact NH1-O 3.25Å; R214-V248 HydrophobicContact CG-CG2 3.91Å
215	A	92.9	Very high	95.1	Very high	34 Å²	34	21.6 Å²	21.6	28%	0.281	10%	0.101	S	C	.	.	H	α-helix	trans	-63.1	-36.4	177.5	0	0	0	0	0	112.7	D211 I212 K217 L499 L501	D211-A215 WeakPolarHBondContact O-CB 3.18Å; D211-A215 PolarHBondContact O-N 3.09Å; I212-A215 PolarHBondContact O-N 3.14Å; I212-A215 VanDerWaalsContact O-N 3.14Å; A215-K217 PolarHBondContact O-N 2.57Å; A215-L499 HydrophobicContact CB-CD2 3.8Å; A215-L501 HydrophobicContact CB-CD2 4.1Å
216	L	92.3	Very high	94.9	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-2.2	173.3	-62.1	177.8	0	0	0	113.6	I212 V213 R214 W218 M309 L501 M506 W508 L515	I212-L216 HydrophobicContact CG2-CD1 3.85Å; I212-L216 HydrophobicContact CG2-CG 4.19Å; I212-L216 WeakPolarHBondContact O-CB 3.38Å; I212-L216 VanDerWaalsContact O-CG 3.29Å; I212-L216 WeakPolarHBondContact O-CG 3.31Å; I212-L216 PolarHBondContact O-N 2.86Å; V213-L216 PolarHBondContact O-N 2.81Å; R214-L216 VanDerWaalsContact C-N 3.32Å; R214-L216 PolarHBondContact O-N 3.46Å; L216-W218 HydrophobicContact CB-CD2 4.02Å; L216-W218 HydrophobicContact CB-CG 4.18Å; L216-W218 HydrophobicContact CB-CZ2 4.48Å; L216-W218 HydrophobicContact CD1-CD2 4.29Å; L216-W218 HydrophobicContact CD1-CE3 4.19Å; L216-W218 HydrophobicContact CD1-CH2 3.71Å; L216-W218 HydrophobicContact CD1-CZ2 3.77Å; L216-W218 HydrophobicContact CD1-CZ3 3.92Å; L216-W218 PolarHBondContact O-N 3.28Å; L216-M309 HydrophobicContact CD1-CE 4.35Å; L216-L501 HydrophobicContact CD2-CD2 4.32Å; L216-M506 HydrophobicContact CD2-CE 3.96Å; L216-M506 HydrophobicContact CD2-SD 3.9Å; L216-W508 HydrophobicContact CD1-CH2 4.29Å; L216-W508 HydrophobicContact CD1-CZ2 4.3Å; L216-W508 HydrophobicContact CD2-CZ2 4.09Å; L216-L515 HydrophobicContact CD2-CD2 3.55Å
217	K	91.9	Very high	94.6	Very high	168 Å²	168	26.1 Å²	26.1	73%	0.73	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	27.7	-179.7	-55.8	174.2	-177.7	172.7	0	113.7	V213 R214 A215	V213-K217 PolarHBondContact O-N 2.96Å; R214-K217 WeakPolarHBondContact O-CA 3.16Å; R214-K217 PolarHBondContact O-N 3.09Å; A215-K217 PolarHBondContact O-N 2.57Å
218	W	93.4	Very high	94.1	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.015	12%	0.123	C	C	.	.			trans	-80.4	132.3	171.8	-62.9	-9.5	0	0	0	109.2	V213 L216 V221 A280 F307 M309 W508 P516 S518	V213-W218 HydrophobicContact CG1-CB 3.88Å; V213-W218 HydrophobicContact CG2-CE3 4.26Å; V213-W218 PolarHBondContact O-N 3.34Å; V213-W218 VanDerWaalsContact O-N 3.11Å; L216-W218 HydrophobicContact CB-CD2 4.02Å; L216-W218 HydrophobicContact CB-CG 4.18Å; L216-W218 HydrophobicContact CB-CZ2 4.48Å; L216-W218 HydrophobicContact CD1-CD2 4.29Å; L216-W218 HydrophobicContact CD1-CE3 4.19Å; L216-W218 HydrophobicContact CD1-CH2 3.71Å; L216-W218 HydrophobicContact CD1-CZ2 3.77Å; L216-W218 HydrophobicContact CD1-CZ3 3.92Å; L216-W218 PolarHBondContact O-N 3.28Å; W218-V221 HydrophobicContact CB-CG1 4.37Å; W218-A280 HydrophobicContact CD2-CB 3.7Å; W218-A280 HydrophobicContact CE3-CB 3.29Å; W218-A280 HydrophobicContact CG-CB 4.39Å; W218-A280 HydrophobicContact CH2-CB 4.07Å; W218-A280 HydrophobicContact CZ2-CB 4.43Å; W218-A280 HydrophobicContact CZ3-CB 3.49Å; W218-A280 VanDerWaalsContact CZ3-CB 3.49Å; W218-F307 HydrophobicContact CH2-CB 3.86Å; W218-F307 HydrophobicContact CZ2-CB 4Å; W218-F307 HydrophobicContact CZ2-CG 4.46Å; W218-M309 HydrophobicContact CZ3-CE 3.99Å; W218-W508 AromaticContact CH2-CH2 3.96Å; W218-W508 HydrophobicContact CH2-CH2 3.96Å; W218-W508 HydrophobicContact CH2-CZ3 4.48Å; W218-W508 AromaticContact CZ2-CH2 3.74Å; W218-W508 HydrophobicContact CZ2-CH2 3.74Å; W218-W508 HydrophobicContact CZ2-CZ2 4.38Å; W218-W508 HydrophobicContact CZ2-CZ3 4.28Å; W218-P516 HydrophobicContact CZ2-CG 3.92Å; W218-P516 PolarHBondContact NE1-O 3.11Å; W218-S518 WeakPolarHBondContact CA-O 3.28Å
219	N	92.2	Very high	93.7	Very high	35 Å²	35	26.7 Å²	26.7	19%	0.187	13%	0.133	C	C	.	.			trans	-121.8	-2	178.5	78.5	17.8	0	0	0	113.8	G247 C249 S518 I519 C520	N219-G247 WeakPolarHBondContact CB-O 3.37Å; N219-C249 PolarHBondContact O-N 3.42Å; N219-S518 PolarHBondContact N-O 2.93Å; N219-I519 WeakPolarHBondContact OD1-CA 3.31Å; N219-I519 WeakPolarHBondContact OD1-CB 3.26Å; N219-C520 PolarHBondContact OD1-N 2.82Å
220	Y	94.5	Very high	93.3	Very high	23 Å²	23	28.1 Å²	28.1	9%	0.09	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	114.2	-178.8	-165.4	-129.6	0	0	0	109.4	C249 A251 N277 A278 S518 C520 M536	Y220-C249 WeakPolarHBondContact CA-O 3.4Å; Y220-C249 HydrophobicContact CD2-CB 4.3Å; Y220-A251 HydrophobicContact CD1-CB 4.29Å; Y220-A251 HydrophobicContact CD2-CB 4.06Å; Y220-A251 HydrophobicContact CE1-CB 3.75Å; Y220-A251 VanDerWaalsContact CE2-CA 3.45Å; Y220-A251 HydrophobicContact CE2-CB 3.49Å; Y220-A251 VanDerWaalsContact CE2-CB 3.49Å; Y220-A251 HydrophobicContact CG-CB 4.42Å; Y220-N277 HydrophobicContact CD1-CB 4.2Å; Y220-N277 HydrophobicContact CE1-CB 4.24Å; Y220-A278 HydrophobicContact CD1-CB 3.66Å; Y220-A278 HydrophobicContact CE1-CB 3.8Å; Y220-A278 HydrophobicContact CG-CB 4.35Å; Y220-S518 PolarHBondContact N-O 3.39Å; Y220-S518 WeakPolarHBondContact O-CB 3.43Å; Y220-S518 PolarHBondContact O-OG 3.07Å; Y220-C520 VanDerWaalsContact CB-N 3.31Å; Y220-C520 HydrophobicContact CD1-CB 3.76Å; Y220-C520 HydrophobicContact CD2-CB 3.76Å; Y220-C520 HydrophobicContact CE1-CB 4.12Å; Y220-C520 HydrophobicContact CE2-CB 4.13Å; Y220-C520 HydrophobicContact CG-CB 3.56Å; Y220-M536 HydrophobicContact CE2-SD 3.63Å
221	V	96.5	Very high	93	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	150.5	-171.7	-53.3	0	0	0	0	111	V213 W218 F238 V248 C249 I250 A251 A280 I282	V213-V221 HydrophobicContact CG1-CG1 3.88Å; W218-V221 HydrophobicContact CB-CG1 4.37Å; V221-F238 HydrophobicContact CG2-CE1 4.02Å; V221-F238 HydrophobicContact CG2-CZ 4.27Å; V221-V248 HydrophobicContact CG1-CG1 4.36Å; V221-V248 HydrophobicContact CG2-CG1 4.03Å; V221-C249 PolarHBondContact N-O 2.76Å; V221-I250 HydrophobicContact CG2-CD1 4Å; V221-I250 CarbonylContact O-C 3.53Å; V221-I250 WeakPolarHBondContact O-CA 3.42Å; V221-A251 PolarHBondContact O-N 3.44Å; V221-A280 WeakPolarHBondContact CA-O 3.26Å; V221-A280 HydrophobicContact CB-CB 4.43Å; V221-A280 HydrophobicContact CG1-CB 3.97Å; V221-I282 HydrophobicContact CB-CD1 4.46Å; V221-I282 HydrophobicContact CB-CG1 4.19Å; V221-I282 HydrophobicContact CG2-CG1 4.05Å
222	S	97.4	Very high	92.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	149.1	169.2	-60.9	0	0	0	0	110.3	A278 A280 V281 I282	S222-A278 WeakPolarHBondContact OG-CB 3.24Å; S222-A280 PolarHBondContact N-O 3.15Å; S222-V281 CarbonylContact O-C 3.59Å; S222-V281 WeakPolarHBondContact O-CA 3.45Å; S222-I282 PolarHBondContact O-N 3.43Å
223	T	97.5	Very high	92.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	141.3	175.8	53	0	0	0	0	111.4	V235 F238 I250 Q252 S253 V254 I282	T223-V235 HydrophobicContact CG2-CG1 4.16Å; T223-F238 HydrophobicContact CG2-CD1 3.97Å; T223-F238 HydrophobicContact CG2-CE1 4.15Å; T223-I250 HydrophobicContact CG2-CD1 4.26Å; T223-I250 HydrophobicContact CG2-CG2 4.3Å; T223-Q252 PolarHBondContact N-O 2.88Å; T223-Q252 PolarHBondContact OG1-O 2.78Å; T223-S253 WeakPolarHBondContact O-CA 3.29Å; T223-S253 VanDerWaalsContact OG1-CA 3.25Å; T223-S253 WeakPolarHBondContact OG1-CA 3.42Å; T223-S253 WeakPolarHBondContact OG1-CB 3.5Å; T223-S253 PolarHBondContact OG1-OG 2.97Å; T223-V254 PolarHBondContact O-N 3.15Å; T223-I282 CarbonylContact C-O 3.55Å; T223-I282 WeakPolarHBondContact CA-O 3.44Å; T223-I282 HydrophobicContact CG2-CB 4.14Å; T223-I282 HydrophobicContact CG2-CG1 4.4Å
224	V	97.5	Very high	92.7	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126.8	175.4	-177.1	0	0	0	0	110	V254 I256 L272 V281 I282 I283 F284	V224-V254 VanDerWaalsContact CA-O 3.32Å; V224-V254 WeakPolarHBondContact CA-O 3.39Å; V224-I256 HydrophobicContact CG1-CD1 3.76Å; V224-I256 HydrophobicContact CG1-CG1 3.86Å; V224-L272 HydrophobicContact CG2-CD1 4.2Å; V224-L272 HydrophobicContact CG2-CD2 4.22Å; V224-V281 HydrophobicContact CG2-CG1 3.65Å; V224-I282 PolarHBondContact N-O 3.3Å; V224-I283 HydrophobicContact CB-CG1 4.3Å; V224-I283 WeakPolarHBondContact O-CA 3.3Å; V224-F284 PolarHBondContact O-N 3.37Å
225	A	96.3	Very high	92.9	Very high	2 Å²	2	24.6 Å²	24.6	2%	0.017	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137.3	-176.2	0	0	0	0	0	112.1	G231 V235 V254 K255 I256 F284	A225-G231 VanDerWaalsContact CB-O 3.29Å; A225-G231 WeakPolarHBondContact CB-O 3.41Å; A225-V235 HydrophobicContact CB-CB 4.38Å; A225-V235 HydrophobicContact CB-CG2 3.95Å; A225-V254 PolarHBondContact N-O 3.05Å; A225-K255 CarbonylContact O-C 3.58Å; A225-K255 WeakPolarHBondContact O-CA 3.33Å; A225-I256 PolarHBondContact O-N 3.4Å; A225-F284 WeakPolarHBondContact CA-O 3.44Å
226	S	91.8	Very high	93	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.028	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	136.7	161.8	-65.4	0	0	0	0	110.8	G228 G231 F284 A285 N286 D289	S226-G228 PolarHBondContact O-N 3.01Å; S226-G231 WeakPolarHBondContact O-CA 3.3Å; S226-F284 PolarHBondContact N-O 3.15Å; S226-A285 WeakPolarHBondContact OG-CA 3.33Å; S226-A285 VanDerWaalsContact OG-CB 3.27Å; S226-A285 WeakPolarHBondContact OG-CB 3.49Å; S226-N286 WeakPolarHBondContact CB-ND2 3.49Å; S226-N286 PolarHBondContact OG-N 2.84Å; S226-N286 PolarHBondContact OG-ND2 3.03Å; S226-D289 WeakPolarHBondContact CB-OD2 3.39Å; S226-D289 PolarHBondContact OG-OD2 3.36Å
227	E	88.8	Confident	93.1	Very high	90 Å²	90	30.1 Å²	30.1	42%	0.421	15%	0.151	S	C	.	.	S	Bend	trans	-61.4	113.1	-176.3	-180	-171.7	-179.9	0	0	113.4	I256 P257 R258	E227-I256 VanDerWaalsContact CB-O 3.28Å; E227-I256 WeakPolarHBondContact CB-O 3.39Å; E227-I256 PolarHBondContact N-O 3.48Å; E227-P257 VanDerWaalsContact OE2-CA 3.29Å; E227-P257 WeakPolarHBondContact OE2-CA 3.3Å; E227-R258 HydrophobicContact CB-CG 3.93Å; E227-R258 HydrophobicContact CG-CG 3.92Å; E227-R258 WeakPolarHBondContact O-CG 3.46Å; E227-R258 PolarHBondContact O-NE 2.83Å; E227-R258 PolarHBondContact OE2-N 3.26Å
228	G	85.5	Confident	93.4	Very high	17 Å²	17	22.1 Å²	22.1	18%	0.175	12%	0.116	C	C	.	.	S	Bend	trans	138.1	168.6	178.3	0	0	0	0	0	112.9	S226 Y230 G231 E232	S226-G228 PolarHBondContact O-N 3.01Å; G228-Y230 PolarHBondContact O-N 3.42Å; G228-G231 PolarHBondContact O-N 3.03Å; G228-G231 VanDerWaalsContact O-N 3.13Å; G228-E232 PolarHBondContact O-N 3.11Å
229	S	86.1	Confident	93.4	Very high	28 Å²	28	23.4 Å²	23.4	20%	0.196	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-5.9	-172.3	-61.4	0	0	0	0	117.8	I163 A183 D185 S233	I163-S229 WeakPolarHBondContact CD1-OG 3.46Å; A183-S229 WeakPolarHBondContact CB-O 3.44Å; D185-S229 WeakPolarHBondContact OD2-CB 3.15Å; D185-S229 PolarHBondContact OD2-OG 3.37Å; S229-S233 WeakPolarHBondContact O-CB 3.5Å; S229-S233 PolarHBondContact O-OG 3.47Å
230	Y	88.2	Confident	93.6	Very high	29 Å²	29	25.7 Å²	25.7	11%	0.114	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-62.8	167.7	173.8	-113.5	0	0	0	110.3	D202 G228 G234 S311 D312 S313	D202-Y230 VanDerWaalsContact OD2-CD2 3.31Å; D202-Y230 WeakPolarHBondContact OD2-CD2 3.49Å; G228-Y230 PolarHBondContact O-N 3.42Å; Y230-G234 PolarHBondContact O-N 3.47Å; Y230-S311 WeakPolarHBondContact OH-CB 3.35Å; Y230-S311 PolarHBondContact OH-OG 2.94Å; Y230-D312 PolarHBondContact OH-OD1 2.95Å; Y230-S313 WeakPolarHBondContact OH-CB 3.45Å; Y230-S313 PolarHBondContact OH-N 2.92Å; Y230-S313 PolarHBondContact OH-OG 3.17Å
231	G	91.2	Very high	93.6	Very high	1 Å²	1	27 Å²	27	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-68.5	-41.1	-174.1	0	0	0	0	0	113.5	A225 S226 G228 V235 F284	A225-G231 VanDerWaalsContact CB-O 3.29Å; A225-G231 WeakPolarHBondContact CB-O 3.41Å; S226-G231 WeakPolarHBondContact O-CA 3.3Å; G228-G231 PolarHBondContact O-N 3.03Å; G228-G231 VanDerWaalsContact O-N 3.13Å; G231-V235 WeakPolarHBondContact O-CB 3.23Å; G231-V235 PolarHBondContact O-N 3.36Å; G231-V235 VanDerWaalsContact O-N 3.17Å; G231-F284 WeakPolarHBondContact CA-O 3.46Å
232	E	92.9	Very high	93.4	Very high	57 Å²	57	27.2 Å²	27.2	27%	0.266	14%	0.14	S	C	.	.	H	α-helix	trans	-73.4	-53.8	-177.2	-59.2	-159.4	171.3	0	0	112	G228 G234 V235 E236 K255	G228-E232 PolarHBondContact O-N 3.11Å; E232-G234 VanDerWaalsContact C-N 3.3Å; E232-G234 PolarHBondContact O-N 3.33Å; E232-V235 PolarHBondContact O-N 3.4Å; E232-E236 WeakPolarHBondContact O-CB 3.18Å; E232-E236 PolarHBondContact O-N 2.87Å; E232-K255 VanDerWaalsContact CD-CE 3.43Å; E232-K255 VanDerWaalsContact OE1-CD 3.3Å; E232-K255 WeakPolarHBondContact OE1-CD 3.46Å; E232-K255 WeakPolarHBondContact OE1-CE 3.35Å; E232-K255 IonicContact OE1-NZ 3.46Å; E232-K255 PolarHBondContact OE1-NZ 3.25Å; E232-K255 IonicContact OE2-NZ 2.69Å; E232-K255 PolarHBondContact OE2-NZ 2.82Å
233	S	93	Very high	93.1	Very high	17 Å²	17	35.7 Å²	35.7	12%	0.119	17%	0.172	C	C	.	.	H	α-helix	trans	-65.3	-31.6	179.9	-47.2	0	0	0	0	112.7	D185 S229 E236 A237	D185-S233 WeakPolarHBondContact OD1-CB 3.46Å; D185-S233 PolarHBondContact OD1-OG 3.17Å; S229-S233 WeakPolarHBondContact O-CB 3.5Å; S229-S233 PolarHBondContact O-OG 3.47Å; S233-E236 PolarHBondContact O-N 3.22Å; S233-A237 WeakPolarHBondContact O-CB 3.43Å; S233-A237 PolarHBondContact O-N 3.36Å
234	G	94.3	Very high	92.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.4	-44.5	172.5	0	0	0	0	0	112.9	Y230 E232 A237 F238 F284	Y230-G234 PolarHBondContact O-N 3.47Å; E232-G234 VanDerWaalsContact C-N 3.3Å; E232-G234 PolarHBondContact O-N 3.33Å; G234-A237 PolarHBondContact O-N 3.04Å; G234-F238 PolarHBondContact O-N 3.3Å; G234-F284 WeakPolarHBondContact O-CZ 3.45Å
235	V	96.1	Very high	92.4	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.03	21%	0.209	C	C	.	.	H	α-helix	trans	-66.2	-39	171.7	164.2	0	0	0	0	111.6	T223 A225 G231 E232 F238 I239 F284	T223-V235 HydrophobicContact CG2-CG1 4.16Å; A225-V235 HydrophobicContact CB-CB 4.38Å; A225-V235 HydrophobicContact CB-CG2 3.95Å; G231-V235 WeakPolarHBondContact O-CB 3.23Å; G231-V235 PolarHBondContact O-N 3.36Å; G231-V235 VanDerWaalsContact O-N 3.17Å; E232-V235 PolarHBondContact O-N 3.4Å; V235-F238 PolarHBondContact O-N 3.35Å; V235-I239 HydrophobicContact CG1-CD1 3.65Å; V235-I239 HydrophobicContact CG1-CG1 4.13Å; V235-I239 WeakPolarHBondContact O-CG1 3.14Å; V235-I239 PolarHBondContact O-N 3.32Å; V235-F284 HydrophobicContact CG2-CB 4.12Å; V235-F284 HydrophobicContact CG2-CD2 3.65Å; V235-F284 HydrophobicContact CG2-CE2 4.43Å; V235-F284 HydrophobicContact CG2-CG 4.2Å
236	E	95.4	Very high	91.8	Very high	138 Å²	138	44.5 Å²	44.5	65%	0.645	22%	0.221	S	C	*	.	H	α-helix	trans	-63.1	-42.9	176.5	-175.1	158.9	-145	0	0	111.8	E232 S233 F238 I239 Q240	E232-E236 WeakPolarHBondContact O-CB 3.18Å; E232-E236 PolarHBondContact O-N 2.87Å; S233-E236 PolarHBondContact O-N 3.22Å; E236-F238 VanDerWaalsContact C-N 3.35Å; E236-F238 PolarHBondContact O-N 3.04Å; E236-I239 PolarHBondContact O-N 3.14Å; E236-Q240 WeakPolarHBondContact O-CB 3.44Å; E236-Q240 PolarHBondContact O-N 3.48Å
237	A	95.6	Very high	91.4	Very high	15 Å²	15	47 Å²	47	12%	0.124	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-42.3	171.9	0	0	0	0	0	112.2	P184 A206 S233 G234 Q240 K241	P184-A237 HydrophobicContact CG-CB 4.34Å; A206-A237 HydrophobicContact CB-CB 3.82Å; S233-A237 WeakPolarHBondContact O-CB 3.43Å; S233-A237 PolarHBondContact O-N 3.36Å; G234-A237 PolarHBondContact O-N 3.04Å; A237-Q240 PolarHBondContact O-N 3.25Å; A237-K241 PolarHBondContact O-N 3.22Å
238	F	96.6	Very high	91.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-43.5	174.8	178.3	-90.3	0	0	0	112.4	A206 M209 V210 V213 V221 T223 G234 V235 E236 Q240 K241 S242 I250 I282 F284	A206-F238 HydrophobicContact CB-CB 4.17Å; M209-F238 HydrophobicContact CB-CD2 3.84Å; M209-F238 HydrophobicContact CB-CE2 3.85Å; V210-F238 HydrophobicContact CB-CE2 4.45Å; V210-F238 HydrophobicContact CG2-CD2 3.64Å; V210-F238 HydrophobicContact CG2-CE2 3.54Å; V210-F238 HydrophobicContact CG2-CG 4.38Å; V210-F238 HydrophobicContact CG2-CZ 4.21Å; V213-F238 HydrophobicContact CG2-CE2 4.33Å; V213-F238 HydrophobicContact CG2-CZ 4.23Å; V221-F238 HydrophobicContact CG2-CE1 4.02Å; V221-F238 HydrophobicContact CG2-CZ 4.27Å; T223-F238 HydrophobicContact CG2-CD1 3.97Å; T223-F238 HydrophobicContact CG2-CE1 4.15Å; G234-F238 PolarHBondContact O-N 3.3Å; V235-F238 PolarHBondContact O-N 3.35Å; E236-F238 VanDerWaalsContact C-N 3.35Å; E236-F238 PolarHBondContact O-N 3.04Å; F238-Q240 VanDerWaalsContact C-N 3.32Å; F238-Q240 PolarHBondContact O-N 3.36Å; F238-K241 PolarHBondContact O-N 3.27Å; F238-S242 WeakPolarHBondContact O-CB 3.37Å; F238-S242 PolarHBondContact O-N 2.95Å; F238-I250 HydrophobicContact CD1-CD1 4.16Å; F238-I250 HydrophobicContact CE1-CD1 3.77Å; F238-I282 HydrophobicContact CD1-CG2 4.48Å; F238-I282 HydrophobicContact CD2-CG2 4.25Å; F238-I282 HydrophobicContact CE1-CG1 3.92Å; F238-I282 HydrophobicContact CE1-CG2 4.48Å; F238-I282 HydrophobicContact CE2-CG1 4.35Å; F238-I282 HydrophobicContact CE2-CG2 4.23Å; F238-I282 HydrophobicContact CG-CG2 4.38Å; F238-I282 HydrophobicContact CZ-CD1 4.13Å; F238-I282 HydrophobicContact CZ-CG1 3.76Å; F238-I282 HydrophobicContact CZ-CG2 4.36Å; F238-F284 HydrophobicContact CB-CE2 4.08Å; F238-F284 HydrophobicContact CB-CZ 4.39Å
239	I	95.2	Very high	92	Very high	30 Å²	30	42.8 Å²	42.8	15%	0.154	23%	0.225	C	C	.	.	H	α-helix	trans	-63.9	-39.3	176.7	-67.2	174	0	0	0	110.6	V235 E236 R243 I250	V235-I239 HydrophobicContact CG1-CD1 3.65Å; V235-I239 HydrophobicContact CG1-CG1 4.13Å; V235-I239 WeakPolarHBondContact O-CG1 3.14Å; V235-I239 PolarHBondContact O-N 3.32Å; E236-I239 PolarHBondContact O-N 3.14Å; I239-R243 WeakPolarHBondContact O-CD 3.02Å; I239-R243 VanDerWaalsContact O-CG 3.28Å; I239-R243 WeakPolarHBondContact O-CG 3.5Å; I239-R243 PolarHBondContact O-N 3.08Å; I239-I250 HydrophobicContact CG1-CD1 4.08Å; I239-I250 HydrophobicContact CG1-CG1 4.01Å; I239-I250 HydrophobicContact CG2-CG1 4.48Å
240	Q	94.5	Very high	92.4	Very high	84 Å²	84	43.1 Å²	43.1	39%	0.393	23%	0.225	S	C	.	.	H	α-helix	trans	-68.2	-47.4	178.2	-177.7	57.9	18.3	0	0	111.5	E236 A237 F238 S242 R243 E244	E236-Q240 WeakPolarHBondContact O-CB 3.44Å; E236-Q240 PolarHBondContact O-N 3.48Å; A237-Q240 PolarHBondContact O-N 3.25Å; F238-Q240 VanDerWaalsContact C-N 3.32Å; F238-Q240 PolarHBondContact O-N 3.36Å; Q240-S242 PolarHBondContact O-N 3.06Å; Q240-R243 WeakPolarHBondContact O-CB 3.3Å; Q240-R243 PolarHBondContact O-N 3.18Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.47Å; Q240-E244 PolarHBondContact NE2-OE1 2.85Å; Q240-E244 PolarHBondContact O-N 2.88Å
241	K	94.6	Very high	92.6	Very high	49 Å²	49	42.6 Å²	42.6	21%	0.213	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-41.1	174	-70.7	-47.9	-163.2	171.3	0	113	V210 A237 F238 R243 E244 D245	V210-K241 HydrophobicContact CG2-CB 3.85Å; A237-K241 PolarHBondContact O-N 3.22Å; F238-K241 PolarHBondContact O-N 3.27Å; K241-R243 PolarHBondContact O-N 3.07Å; K241-R243 VanDerWaalsContact O-N 3.09Å; K241-E244 VanDerWaalsContact CD-OE2 3.27Å; K241-E244 WeakPolarHBondContact CD-OE2 3.07Å; K241-E244 WeakPolarHBondContact CE-OE2 3.21Å; K241-E244 IonicContact NZ-OE2 3.53Å; K241-E244 PolarHBondContact NZ-OE2 3.4Å; K241-E244 PolarHBondContact O-N 3.2Å; K241-D245 WeakPolarHBondContact O-CB 3.46Å; K241-D245 PolarHBondContact O-N 3.49Å
242	S	93.9	Very high	92.7	Very high	5 Å²	5	44.1 Å²	44.1	4%	0.035	23%	0.233	C	C	.	.	H	α-helix	trans	-57.7	-23.4	172	-178.8	0	0	0	0	113.9	F238 Q240 V248	F238-S242 WeakPolarHBondContact O-CB 3.37Å; F238-S242 PolarHBondContact O-N 2.95Å; Q240-S242 PolarHBondContact O-N 3.06Å; S242-V248 WeakPolarHBondContact OG-CB 3.3Å; S242-V248 WeakPolarHBondContact OG-CG1 3.45Å; S242-V248 PolarHBondContact OG-O 3.29Å; S242-V248 VanDerWaalsContact OG-O 3.04Å
243	R	91.1	Very high	92.8	Very high	179 Å²	179	44.3 Å²	44.3	68%	0.675	24%	0.24	S	C	*	.	H	α-helix	trans	-90.2	-42.7	175.8	-70.9	164.5	176.6	173.9	0.5	112.7	I239 Q240 K241	I239-R243 WeakPolarHBondContact O-CD 3.02Å; I239-R243 VanDerWaalsContact O-CG 3.28Å; I239-R243 WeakPolarHBondContact O-CG 3.5Å; I239-R243 PolarHBondContact O-N 3.08Å; Q240-R243 WeakPolarHBondContact O-CB 3.3Å; Q240-R243 PolarHBondContact O-N 3.18Å; K241-R243 PolarHBondContact O-N 3.07Å; K241-R243 VanDerWaalsContact O-N 3.09Å
244	E	91.9	Very high	93	Very high	105 Å²	105	43.7 Å²	43.7	49%	0.491	24%	0.236	S	C	.	.	H	α-helix	trans	-62.4	-49.8	178.2	-72.3	172.2	-168.2	0	0	111.2	Q240 K241	Q240-E244 WeakPolarHBondContact CG-OE1 3.47Å; Q240-E244 PolarHBondContact NE2-OE1 2.85Å; Q240-E244 PolarHBondContact O-N 2.88Å; K241-E244 VanDerWaalsContact CD-OE2 3.27Å; K241-E244 WeakPolarHBondContact CD-OE2 3.07Å; K241-E244 WeakPolarHBondContact CE-OE2 3.21Å; K241-E244 IonicContact NZ-OE2 3.53Å; K241-E244 PolarHBondContact NZ-OE2 3.4Å; K241-E244 PolarHBondContact O-N 3.2Å
245	D	87.1	Confident	93	Very high	55 Å²	55	49 Å²	49	29%	0.294	26%	0.259	S	S	.	.	S	Bend	trans	-80.5	-25.8	-175.3	-70.4	-28.5	0	0	0	113.3	Q207 V210 R214 K241	Q207-D245 PolarHBondContact NE2-OD2 3.3Å; V210-D245 HydrophobicContact CG1-CB 4.24Å; R214-D245 PolarHBondContact NH1-O 3.25Å; K241-D245 WeakPolarHBondContact O-CB 3.46Å; K241-D245 PolarHBondContact O-N 3.49Å
246	G	85.1	Confident	92.9	Very high	26 Å²	26	48.8 Å²	48.8	27%	0.268	26%	0.257	S	S	.	.			trans	69.7	171.1	177.8	0	0	0	0	0	115.8	V248	G246-V248 VanDerWaalsContact C-N 3.33Å; G246-V248 PolarHBondContact O-N 3.08Å
247	G	83.5	Confident	92.6	Very high	56 Å²	56	44.5 Å²	44.5	58%	0.577	24%	0.242	S	C	*	.	S	Bend	trans	85.6	-6.9	175.2	0	0	0	0	0	116	N219	N219-G247 WeakPolarHBondContact CB-O 3.37Å
248	V	92.4	Very high	91.9	Very high	10 Å²	10	49.1 Å²	49.1	6%	0.061	26%	0.256	C	S	.	.			trans	-118.7	135.9	173.9	179.7	0	0	0	0	109.3	V213 R214 V221 S242 G246	V213-V248 HydrophobicContact CG1-CG1 3.89Å; V213-V248 HydrophobicContact CG1-CG2 3.73Å; R214-V248 HydrophobicContact CG-CG2 3.91Å; V221-V248 HydrophobicContact CG1-CG1 4.36Å; V221-V248 HydrophobicContact CG2-CG1 4.03Å; S242-V248 WeakPolarHBondContact OG-CB 3.3Å; S242-V248 WeakPolarHBondContact OG-CG1 3.45Å; S242-V248 PolarHBondContact OG-O 3.29Å; S242-V248 VanDerWaalsContact OG-O 3.04Å; G246-V248 VanDerWaalsContact C-N 3.33Å; G246-V248 PolarHBondContact O-N 3.08Å
249	C	92.9	Very high	91.2	Very high	10 Å²	10	57.5 Å²	57.5	7%	0.068	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.8	174.5	-69.3	0	0	0	0	111.4	N219 Y220 V221 M536 C538	N219-C249 PolarHBondContact O-N 3.42Å; Y220-C249 WeakPolarHBondContact CA-O 3.4Å; Y220-C249 HydrophobicContact CD2-CB 4.3Å; V221-C249 PolarHBondContact N-O 2.76Å; C249-M536 HydrophobicContact CB-CG 4.34Å; C249-C538 HydrophobicContact CB-CB 3.63Å; C249-C538 WeakPolarHBondContact CB-SG 3.3Å; C249-C538 PolarHBondContact N-SG 2.96Å; C249-C538 VanDerWaalsContact N-SG 3.41Å; C249-C538 WeakPolarHBondContact SG-CB 3.49Å; C249-C538 PolarHBondContact SG-N 3.3Å; C249-C538 CovalentContact SG-SG 2.04Å; C249-C538 PolarHBondContact SG-SG 3.16Å
250	I	94.4	Very high	90.6	Very high	35 Å²	35	57.5 Å²	57.5	18%	0.179	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	123	177.2	-44.1	-63.6	0	0	0	108.7	V221 T223 F238 I239 M536	V221-I250 HydrophobicContact CG2-CD1 4Å; V221-I250 CarbonylContact O-C 3.53Å; V221-I250 WeakPolarHBondContact O-CA 3.42Å; T223-I250 HydrophobicContact CG2-CD1 4.26Å; T223-I250 HydrophobicContact CG2-CG2 4.3Å; F238-I250 HydrophobicContact CD1-CD1 4.16Å; F238-I250 HydrophobicContact CE1-CD1 3.77Å; I239-I250 HydrophobicContact CG1-CD1 4.08Å; I239-I250 HydrophobicContact CG1-CG1 4.01Å; I239-I250 HydrophobicContact CG2-CG1 4.48Å; I250-M536 WeakPolarHBondContact O-CE 3.42Å
251	A	93.3	Very high	90.3	Very high	17 Å²	17	61.1 Å²	61.1	14%	0.14	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-49	176.5	0	0	0	0	0	111.2	Y220 V221 T275 A278	Y220-A251 HydrophobicContact CD1-CB 4.29Å; Y220-A251 HydrophobicContact CD2-CB 4.06Å; Y220-A251 HydrophobicContact CE1-CB 3.75Å; Y220-A251 VanDerWaalsContact CE2-CA 3.45Å; Y220-A251 HydrophobicContact CE2-CB 3.49Å; Y220-A251 VanDerWaalsContact CE2-CB 3.49Å; Y220-A251 HydrophobicContact CG-CB 4.42Å; V221-A251 PolarHBondContact O-N 3.44Å; A251-T275 HydrophobicContact CB-CG2 4.3Å; A251-A278 HydrophobicContact CB-CB 3.44Å; A251-A278 VanDerWaalsContact CB-CB 3.44Å
252	Q	93.8	Very high	89.9	Confident	34 Å²	34	63.8 Å²	63.8	16%	0.159	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	159.3	176.7	59.9	179.4	-69.4	0	0	109.8	T223 V254 R271 T275	T223-Q252 PolarHBondContact N-O 2.88Å; T223-Q252 PolarHBondContact OG1-O 2.78Å; Q252-V254 HydrophobicContact CG-CG2 4.24Å; Q252-R271 PolarHBondContact NE2-O 2.68Å; Q252-R271 PolarHBondContact OE1-O 2.66Å; Q252-T275 PolarHBondContact NE2-OG1 3.01Å
253	S	95.1	Very high	89.7	Confident	60 Å²	60	65.1 Å²	65.1	42%	0.42	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.2	169.1	-171.5	0	0	0	0	110	T223	T223-S253 WeakPolarHBondContact O-CA 3.29Å; T223-S253 VanDerWaalsContact OG1-CA 3.25Å; T223-S253 WeakPolarHBondContact OG1-CA 3.42Å; T223-S253 WeakPolarHBondContact OG1-CB 3.5Å; T223-S253 PolarHBondContact OG1-OG 2.97Å
254	V	95.9	Very high	89.8	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.024	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.3	-175.5	-168.2	0	0	0	0	109.9	T223 V224 A225 Q252 I268 R271 L272	T223-V254 PolarHBondContact O-N 3.15Å; V224-V254 VanDerWaalsContact CA-O 3.32Å; V224-V254 WeakPolarHBondContact CA-O 3.39Å; A225-V254 PolarHBondContact N-O 3.05Å; Q252-V254 HydrophobicContact CG-CG2 4.24Å; V254-I268 HydrophobicContact CG1-CB 4.32Å; V254-I268 HydrophobicContact CG1-CG1 3.86Å; V254-I268 HydrophobicContact CG1-CG2 4.05Å; V254-R271 HydrophobicContact CG2-CB 4.48Å; V254-L272 HydrophobicContact CG2-CD2 4.24Å
255	K	94.8	Very high	89.9	Confident	112 Å²	112	54.6 Å²	54.6	49%	0.487	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	138	177.7	-66.4	-177.8	169	-162.3	0	111.2	A225 E232	A225-K255 CarbonylContact O-C 3.58Å; A225-K255 WeakPolarHBondContact O-CA 3.33Å; E232-K255 VanDerWaalsContact CD-CE 3.43Å; E232-K255 VanDerWaalsContact OE1-CD 3.3Å; E232-K255 WeakPolarHBondContact OE1-CD 3.46Å; E232-K255 WeakPolarHBondContact OE1-CE 3.35Å; E232-K255 IonicContact OE1-NZ 3.46Å; E232-K255 PolarHBondContact OE1-NZ 3.25Å; E232-K255 IonicContact OE2-NZ 2.69Å; E232-K255 PolarHBondContact OE2-NZ 2.82Å
256	I	93.8	Very high	90.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	116.9	171.2	-46.4	179.5	0	0	0	107.6	V224 A225 E227 F265 I268 A285 D289 V293	V224-I256 HydrophobicContact CG1-CD1 3.76Å; V224-I256 HydrophobicContact CG1-CG1 3.86Å; A225-I256 PolarHBondContact O-N 3.4Å; E227-I256 VanDerWaalsContact CB-O 3.28Å; E227-I256 WeakPolarHBondContact CB-O 3.39Å; E227-I256 PolarHBondContact N-O 3.48Å; I256-F265 HydrophobicContact CD1-CE1 4.37Å; I256-F265 HydrophobicContact CG2-CE1 3.7Å; I256-F265 HydrophobicContact CG2-CZ 3.86Å; I256-I268 HydrophobicContact CB-CD1 4.39Å; I256-I268 HydrophobicContact CG1-CD1 3.94Å; I256-I268 HydrophobicContact CG2-CD1 4.31Å; I256-A285 HydrophobicContact CD1-CB 4.09Å; I256-D289 HydrophobicContact CD1-CB 3.88Å; I256-V293 HydrophobicContact CD1-CG2 3.86Å
257	P	90.1	Very high	90.8	Very high	49 Å²	49	57.1 Å²	57.1	32%	0.318	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-61.7	149.6	179.8	-23.2	33.9	0	0	0	113	E227 E259 P260	E227-P257 VanDerWaalsContact OE2-CA 3.29Å; E227-P257 WeakPolarHBondContact OE2-CA 3.3Å; P257-E259 PolarHBondContact O-N 3.14Å; P257-P260 WeakPolarHBondContact O-CD 3.4Å
258	R	79.8	Confident	91.4	Very high	111 Å²	111	54.9 Å²	54.9	42%	0.419	29%	0.293	S	S	.	.	S	Bend	trans	-55.9	-32.8	177.7	-75.7	-176.5	179.8	-146.5	5.9	113.8	D112 E227	D112-R258 IonicContact OD2-NH1 3.61Å; D112-R258 PolarHBondContact OD2-NH1 3.39Å; E227-R258 HydrophobicContact CB-CG 3.93Å; E227-R258 HydrophobicContact CG-CG 3.92Å; E227-R258 WeakPolarHBondContact O-CG 3.46Å; E227-R258 PolarHBondContact O-NE 2.83Å; E227-R258 PolarHBondContact OE2-N 3.26Å
259	E	81.3	Confident	91.6	Very high	176 Å²	176	54.5 Å²	54.5	82%	0.822	29%	0.291	S	S	*	.	S	Bend	trans	-126	80.6	177.1	-66.1	-172.6	170.5	0	0	109.1	P257 K261	P257-E259 PolarHBondContact O-N 3.14Å; E259-K261 PolarHBondContact O-N 2.8Å
260	P	83.8	Confident	91.7	Very high	31 Å²	31	62 Å²	62	20%	0.201	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-75.3	123.5	-171.7	29.5	-32.9	0	0	0	111	P257 F265	P257-P260 WeakPolarHBondContact O-CD 3.4Å; P260-F265 HydrophobicContact CB-CD2 4.43Å; P260-F265 HydrophobicContact CB-CE2 3.59Å; P260-F265 HydrophobicContact CB-CZ 3.99Å; P260-F265 HydrophobicContact CG-CE2 3.58Å; P260-F265 HydrophobicContact CG-CZ 3.78Å
261	K	87.6	Confident	91.8	Very high	159 Å²	159	66.6 Å²	66.6	69%	0.691	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-70.3	163.1	176.4	-64.7	178.3	-179.6	177.4	0	111.4	E259 G263 E264	E259-K261 PolarHBondContact O-N 2.8Å; K261-G263 PolarHBondContact O-N 2.7Å; K261-E264 HydrophobicContact CB-CG 3.96Å; K261-E264 WeakPolarHBondContact O-CG 3.27Å; K261-E264 PolarHBondContact O-N 2.93Å
262	A	86.2	Confident	91.9	Very high	106 Å²	106	65.8 Å²	65.8	88%	0.876	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	130.5	173.7	0	0	0	0	0	110.9
263	G	89.4	Confident	92	Very high	32 Å²	32	66.8 Å²	66.8	33%	0.33	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-6.1	-179.6	0	0	0	0	0	116.6	K261 F265 D266 K267	K261-G263 PolarHBondContact O-N 2.7Å; G263-F265 PolarHBondContact O-N 2.8Å; G263-D266 WeakPolarHBondContact CA-OD2 3.5Å; G263-D266 PolarHBondContact O-N 2.98Å; G263-K267 PolarHBondContact O-N 3.42Å
264	E	93.6	Very high	92	Very high	48 Å²	48	71 Å²	71	22%	0.224	35%	0.345	C	S	.	.	H	α-helix	trans	-63.7	-39.3	179	-63.4	-55.6	152.1	0	0	112.4	K261 D266 K267 I268	K261-E264 HydrophobicContact CB-CG 3.96Å; K261-E264 WeakPolarHBondContact O-CG 3.27Å; K261-E264 PolarHBondContact O-N 2.93Å; E264-D266 VanDerWaalsContact C-N 3.29Å; E264-D266 PolarHBondContact O-N 2.98Å; E264-K267 WeakPolarHBondContact O-CB 3.13Å; E264-K267 PolarHBondContact O-N 3.37Å; E264-K267 VanDerWaalsContact O-N 3.11Å; E264-K267 IonicContact OE1-NZ 2.76Å; E264-K267 PolarHBondContact OE1-NZ 3.2Å; E264-K267 WeakPolarHBondContact OE2-CD 3.41Å; E264-K267 WeakPolarHBondContact OE2-CE 3.48Å; E264-K267 IonicContact OE2-NZ 2.75Å; E264-K267 PolarHBondContact OE2-NZ 3.18Å; E264-I268 WeakPolarHBondContact O-CG1 3.05Å; E264-I268 PolarHBondContact O-N 3.47Å
265	F	94.6	Very high	91.7	Very high	15 Å²	15	72.2 Å²	72.2	7%	0.066	35%	0.353	C	S	.	.	H	α-helix	trans	-61.7	-35.3	175.2	-66.8	-84.2	0	0	0	112.6	I256 P260 G263 K267 I268 I269 R292 V293 A296	I256-F265 HydrophobicContact CD1-CE1 4.37Å; I256-F265 HydrophobicContact CG2-CE1 3.7Å; I256-F265 HydrophobicContact CG2-CZ 3.86Å; P260-F265 HydrophobicContact CB-CD2 4.43Å; P260-F265 HydrophobicContact CB-CE2 3.59Å; P260-F265 HydrophobicContact CB-CZ 3.99Å; P260-F265 HydrophobicContact CG-CE2 3.58Å; P260-F265 HydrophobicContact CG-CZ 3.78Å; G263-F265 PolarHBondContact O-N 2.8Å; F265-K267 VanDerWaalsContact C-N 3.33Å; F265-I268 HydrophobicContact CD1-CD1 4.34Å; F265-I268 WeakPolarHBondContact O-CB 3.49Å; F265-I268 PolarHBondContact O-N 3.46Å; F265-I269 PolarHBondContact O-N 2.94Å; F265-I269 VanDerWaalsContact O-N 3.15Å; F265-R292 HydrophobicContact CD1-CB 3.65Å; F265-R292 HydrophobicContact CD2-CB 4.03Å; F265-R292 HydrophobicContact CE1-CB 3.48Å; F265-R292 VanDerWaalsContact CE1-CB 3.48Å; F265-R292 HydrophobicContact CE2-CB 3.89Å; F265-R292 HydrophobicContact CE2-CG 4.32Å; F265-R292 HydrophobicContact CG-CB 3.93Å; F265-R292 HydrophobicContact CZ-CB 3.62Å; F265-R292 HydrophobicContact CZ-CG 4.23Å; F265-V293 HydrophobicContact CD1-CG2 3.85Å; F265-V293 HydrophobicContact CE1-CG2 4.17Å; F265-A296 HydrophobicContact CB-CB 3.88Å
266	D	95.4	Very high	91.4	Very high	41 Å²	41	69.8 Å²	69.8	22%	0.219	35%	0.35	C	S	.	.	H	α-helix	trans	-73.1	-27.3	177	-47.8	-60.3	0	0	0	111.6	G263 E264 R270 R299	G263-D266 WeakPolarHBondContact CA-OD2 3.5Å; G263-D266 PolarHBondContact O-N 2.98Å; E264-D266 VanDerWaalsContact C-N 3.29Å; E264-D266 PolarHBondContact O-N 2.98Å; D266-R270 VanDerWaalsContact O-CG 3.29Å; D266-R270 WeakPolarHBondContact O-CG 3.45Å; D266-R270 PolarHBondContact O-N 2.87Å; D266-R299 IonicContact OD1-CZ 3.27Å; D266-R299 VanDerWaalsContact OD1-CZ 3.31Å; D266-R299 IonicContact OD1-NE 3.82Å; D266-R299 PolarHBondContact OD1-NE 3.35Å; D266-R299 IonicContact OD1-NH2 3.94Å; D266-R299 PolarHBondContact OD1-NH2 2.99Å; D266-R299 IonicContact OD2-NH2 2.63Å
267	K	95.6	Very high	91.3	Very high	94 Å²	94	74.1 Å²	74.1	41%	0.409	37%	0.373	S	S	.	.	H	α-helix	trans	-70.9	-36.7	168.9	-59.9	179.6	-152.3	162.9	0	112.1	G263 E264 F265 R270 R271	G263-K267 PolarHBondContact O-N 3.42Å; E264-K267 WeakPolarHBondContact O-CB 3.13Å; E264-K267 PolarHBondContact O-N 3.37Å; E264-K267 VanDerWaalsContact O-N 3.11Å; E264-K267 IonicContact OE1-NZ 2.76Å; E264-K267 PolarHBondContact OE1-NZ 3.2Å; E264-K267 WeakPolarHBondContact OE2-CD 3.41Å; E264-K267 WeakPolarHBondContact OE2-CE 3.48Å; E264-K267 IonicContact OE2-NZ 2.75Å; E264-K267 PolarHBondContact OE2-NZ 3.18Å; F265-K267 VanDerWaalsContact C-N 3.33Å; K267-R270 PolarHBondContact O-N 2.82Å; K267-R271 PolarHBondContact O-N 3.36Å
268	I	95.9	Very high	91.5	Very high	9 Å²	9	71.8 Å²	71.8	5%	0.046	36%	0.358	C	S	.	.	H	α-helix	trans	-59.4	-47.2	175.6	-71.4	159	0	0	0	110	V254 I256 E264 F265 R270 R271 L272	V254-I268 HydrophobicContact CG1-CB 4.32Å; V254-I268 HydrophobicContact CG1-CG1 3.86Å; V254-I268 HydrophobicContact CG1-CG2 4.05Å; I256-I268 HydrophobicContact CB-CD1 4.39Å; I256-I268 HydrophobicContact CG1-CD1 3.94Å; I256-I268 HydrophobicContact CG2-CD1 4.31Å; E264-I268 WeakPolarHBondContact O-CG1 3.05Å; E264-I268 PolarHBondContact O-N 3.47Å; F265-I268 HydrophobicContact CD1-CD1 4.34Å; F265-I268 WeakPolarHBondContact O-CB 3.49Å; F265-I268 PolarHBondContact O-N 3.46Å; I268-R270 PolarHBondContact O-N 2.71Å; I268-R271 PolarHBondContact O-N 3.22Å; I268-L272 HydrophobicContact CG2-CD1 4.36Å; I268-L272 WeakPolarHBondContact O-CG 3.36Å; I268-L272 PolarHBondContact O-N 3.21Å
269	I	96.6	Very high	92.2	Very high	1 Å²	1	70.4 Å²	70.4	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-63.7	-41.7	176	-59	-58.3	0	0	0	112.1	F265 R271 L272 L273 V293 A296 A297 A300 Q302 F306	F265-I269 PolarHBondContact O-N 2.94Å; F265-I269 VanDerWaalsContact O-N 3.15Å; I269-R271 VanDerWaalsContact C-N 3.33Å; I269-R271 PolarHBondContact O-N 3.28Å; I269-L272 HydrophobicContact CD1-CD1 4.3Å; I269-L272 PolarHBondContact O-N 3.45Å; I269-L273 HydrophobicContact CG2-CD1 4.24Å; I269-L273 WeakPolarHBondContact O-CG 3.29Å; I269-L273 PolarHBondContact O-N 3.24Å; I269-L273 VanDerWaalsContact O-N 3.07Å; I269-V293 HydrophobicContact CD1-CG1 4.12Å; I269-A296 HydrophobicContact CD1-CB 4.47Å; I269-A296 HydrophobicContact CG1-CB 3.63Å; I269-A297 HydrophobicContact CD1-CB 3.94Å; I269-A300 HydrophobicContact CG2-CB 3.75Å; I269-Q302 HydrophobicContact CG2-CG 4.35Å; I269-F306 HydrophobicContact CG2-CE2 4.46Å
270	R	95.4	Very high	92.9	Very high	167 Å²	167	62 Å²	62	63%	0.63	31%	0.314	S	S	*	.	H	α-helix	trans	-58.5	-44	175.2	-71.4	171	-151.3	179.5	5.6	112.1	D266 K267 I268 L273 E274	D266-R270 VanDerWaalsContact O-CG 3.29Å; D266-R270 WeakPolarHBondContact O-CG 3.45Å; D266-R270 PolarHBondContact O-N 2.87Å; K267-R270 PolarHBondContact O-N 2.82Å; I268-R270 PolarHBondContact O-N 2.71Å; R270-L273 WeakPolarHBondContact O-CB 3.24Å; R270-L273 PolarHBondContact O-N 3.32Å; R270-L273 VanDerWaalsContact O-N 3.17Å; R270-E274 PolarHBondContact O-N 3.41Å
271	R	95.8	Very high	93.5	Very high	133 Å²	133	60.6 Å²	60.6	50%	0.502	30%	0.304	S	S	.	.	H	α-helix	trans	-60.1	-47.3	174.6	-76.6	-178.4	176.9	170.9	-0.4	112	Q252 V254 K267 I268 I269 L273 E274	Q252-R271 PolarHBondContact NE2-O 2.68Å; Q252-R271 PolarHBondContact OE1-O 2.66Å; V254-R271 HydrophobicContact CG2-CB 4.48Å; K267-R271 PolarHBondContact O-N 3.36Å; I268-R271 PolarHBondContact O-N 3.22Å; I269-R271 VanDerWaalsContact C-N 3.33Å; I269-R271 PolarHBondContact O-N 3.28Å; R271-L273 PolarHBondContact O-N 3.4Å; R271-L273 VanDerWaalsContact O-N 3.17Å; R271-E274 VanDerWaalsContact O-CB 3.25Å; R271-E274 WeakPolarHBondContact O-CB 3.23Å; R271-E274 PolarHBondContact O-N 3.49Å
272	L	95.8	Very high	94	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58	-30.6	176.6	-67.9	173.3	0	0	0	112.8	V224 V254 I268 I269 V281 F306	V224-L272 HydrophobicContact CG2-CD1 4.2Å; V224-L272 HydrophobicContact CG2-CD2 4.22Å; V254-L272 HydrophobicContact CG2-CD2 4.24Å; I268-L272 HydrophobicContact CG2-CD1 4.36Å; I268-L272 WeakPolarHBondContact O-CG 3.36Å; I268-L272 PolarHBondContact O-N 3.21Å; I269-L272 HydrophobicContact CD1-CD1 4.3Å; I269-L272 PolarHBondContact O-N 3.45Å; L272-V281 HydrophobicContact CD1-CG1 4.32Å; L272-V281 HydrophobicContact CD2-CG1 4.38Å; L272-F306 HydrophobicContact CB-CE1 3.89Å; L272-F306 HydrophobicContact CB-CZ 3.78Å
273	L	95.4	Very high	94.5	Very high	55 Å²	55	48 Å²	48	29%	0.288	23%	0.23	S	C	.	.	H	α-helix	trans	-76.2	-20.2	174.6	-66.3	169.5	0	0	0	114.3	I269 R270 R271 T275 S276 Q302 F306	I269-L273 HydrophobicContact CG2-CD1 4.24Å; I269-L273 WeakPolarHBondContact O-CG 3.29Å; I269-L273 PolarHBondContact O-N 3.24Å; I269-L273 VanDerWaalsContact O-N 3.07Å; R270-L273 WeakPolarHBondContact O-CB 3.24Å; R270-L273 PolarHBondContact O-N 3.32Å; R270-L273 VanDerWaalsContact O-N 3.17Å; R271-L273 PolarHBondContact O-N 3.4Å; R271-L273 VanDerWaalsContact O-N 3.17Å; L273-T275 PolarHBondContact O-N 3.39Å; L273-S276 PolarHBondContact O-N 2.71Å; L273-Q302 HydrophobicContact CD1-CG 4.1Å; L273-Q302 HydrophobicContact CD2-CG 4.16Å; L273-F306 HydrophobicContact CD2-CE2 4.14Å; L273-F306 HydrophobicContact CD2-CZ 3.67Å; L273-F306 HydrophobicContact CG-CZ 4.05Å
274	E	94.5	Very high	94.8	Very high	148 Å²	148	46.5 Å²	46.5	69%	0.692	21%	0.214	S	C	*	.	H	α-helix	trans	-61	-24.8	172.6	-64	167.3	-153.9	0	0	111.7	R270 R271	R270-E274 PolarHBondContact O-N 3.41Å; R271-E274 VanDerWaalsContact O-CB 3.25Å; R271-E274 WeakPolarHBondContact O-CB 3.23Å; R271-E274 PolarHBondContact O-N 3.49Å
275	T	91.5	Very high	94.8	Very high	29 Å²	29	44.2 Å²	44.2	18%	0.178	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	56.5	174.1	62.3	0	0	0	0	111.5	A251 Q252 L273 N277 A278	A251-T275 HydrophobicContact CB-CG2 4.3Å; Q252-T275 PolarHBondContact NE2-OG1 3.01Å; L273-T275 PolarHBondContact O-N 3.39Å; T275-N277 PolarHBondContact O-N 3.22Å; T275-A278 WeakPolarHBondContact O-CB 3.36Å; T275-A278 PolarHBondContact O-N 3.11Å
276	S	88.2	Confident	94.4	Very high	61 Å²	61	46.9 Å²	46.9	43%	0.427	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-30	-174.8	57.9	0	0	0	0	116.1	L273 A278 R279	L273-S276 PolarHBondContact O-N 2.71Å; S276-A278 PolarHBondContact O-N 3.1Å; S276-R279 WeakPolarHBondContact O-CG 3.42Å
277	N	90.5	Very high	93.9	Very high	91 Å²	91	46 Å²	46	49%	0.487	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-23	174	-73.4	1.3	0	0	0	113.8	Y220 T275 R279 C520	Y220-N277 HydrophobicContact CD1-CB 4.2Å; Y220-N277 HydrophobicContact CE1-CB 4.24Å; T275-N277 PolarHBondContact O-N 3.22Å; N277-R279 VanDerWaalsContact C-N 3.29Å; N277-R279 PolarHBondContact O-N 3.46Å; N277-R279 VanDerWaalsContact O-N 3.16Å; N277-C520 PolarHBondContact ND2-O 3.13Å
278	A	94.3	Very high	93.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.219	C	C	.	.			trans	-87.4	63.9	177.1	0	0	0	0	0	111	Y220 S222 A251 T275 S276 A280	Y220-A278 HydrophobicContact CD1-CB 3.66Å; Y220-A278 HydrophobicContact CE1-CB 3.8Å; Y220-A278 HydrophobicContact CG-CB 4.35Å; S222-A278 WeakPolarHBondContact OG-CB 3.24Å; A251-A278 HydrophobicContact CB-CB 3.44Å; A251-A278 VanDerWaalsContact CB-CB 3.44Å; T275-A278 WeakPolarHBondContact O-CB 3.36Å; T275-A278 PolarHBondContact O-N 3.11Å; S276-A278 PolarHBondContact O-N 3.1Å; A278-A280 VanDerWaalsContact C-N 3.29Å; A278-A280 PolarHBondContact O-N 3.23Å
279	R	94.3	Very high	93	Very high	83 Å²	83	46.8 Å²	46.8	31%	0.313	22%	0.221	S	C	.	.			trans	-65.2	-29.9	-178.1	-63.7	-173.3	64.2	179.5	-2.3	113.2	S276 N277 G304 H305 F306 F307 S518	S276-R279 WeakPolarHBondContact O-CG 3.42Å; N277-R279 VanDerWaalsContact C-N 3.29Å; N277-R279 PolarHBondContact O-N 3.46Å; N277-R279 VanDerWaalsContact O-N 3.16Å; R279-G304 PolarHBondContact NH2-O 2.97Å; R279-H305 VanDerWaalsContact CZ-O 3.3Å; R279-H305 PolarHBondContact NE-O 3.06Å; R279-H305 PolarHBondContact NH2-O 2.74Å; R279-F306 CarbonylContact O-C 3.42Å; R279-F306 VanDerWaalsContact O-CA 3.26Å; R279-F306 WeakPolarHBondContact O-CA 3.22Å; R279-F307 HydrophobicContact CB-CD2 3.8Å; R279-F307 HydrophobicContact CB-CE2 3.94Å; R279-F307 VanDerWaalsContact CZ-CE2 3.5Å; R279-F307 VanDerWaalsContact NH2-CZ 3.3Å; R279-F307 PolarHBondContact O-N 3Å; R279-S518 PolarHBondContact N-OG 3.49Å
280	A	96	Very high	92.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	127.6	175.5	0	0	0	0	0	111.4	W218 V221 S222 A278 F307 S518	W218-A280 HydrophobicContact CD2-CB 3.7Å; W218-A280 HydrophobicContact CE3-CB 3.29Å; W218-A280 HydrophobicContact CG-CB 4.39Å; W218-A280 HydrophobicContact CH2-CB 4.07Å; W218-A280 HydrophobicContact CZ2-CB 4.43Å; W218-A280 HydrophobicContact CZ3-CB 3.49Å; W218-A280 VanDerWaalsContact CZ3-CB 3.49Å; V221-A280 WeakPolarHBondContact CA-O 3.26Å; V221-A280 HydrophobicContact CB-CB 4.43Å; V221-A280 HydrophobicContact CG1-CB 3.97Å; S222-A280 PolarHBondContact N-O 3.15Å; A278-A280 VanDerWaalsContact C-N 3.29Å; A278-A280 PolarHBondContact O-N 3.23Å; A280-F307 WeakPolarHBondContact CA-O 3.49Å; A280-S518 WeakPolarHBondContact CB-OG 3.32Å; A280-S518 PolarHBondContact N-OG 3.21Å
281	V	97.6	Very high	92.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	114.7	-177.3	-172.7	0	0	0	0	110.2	S222 V224 L272 I283 F306 F307 W308 M309	S222-V281 CarbonylContact O-C 3.59Å; S222-V281 WeakPolarHBondContact O-CA 3.45Å; V224-V281 HydrophobicContact CG2-CG1 3.65Å; L272-V281 HydrophobicContact CD1-CG1 4.32Å; L272-V281 HydrophobicContact CD2-CG1 4.38Å; V281-I283 HydrophobicContact CG1-CD1 4.47Å; V281-I283 HydrophobicContact CG1-CG1 4.09Å; V281-F306 HydrophobicContact CG2-CB 4.15Å; V281-F306 HydrophobicContact CG2-CD1 3.57Å; V281-F306 HydrophobicContact CG2-CE1 4.31Å; V281-F306 HydrophobicContact CG2-CG 4.12Å; V281-F307 PolarHBondContact N-O 3.1Å; V281-W308 HydrophobicContact CB-CE3 3.81Å; V281-W308 HydrophobicContact CB-CZ3 3.96Å; V281-W308 HydrophobicContact CG1-CE3 4.15Å; V281-W308 HydrophobicContact CG1-CZ3 4.03Å; V281-W308 HydrophobicContact CG2-CE3 4.33Å; V281-W308 HydrophobicContact CG2-CZ3 4.13Å; V281-M309 PolarHBondContact O-N 3.07Å
282	I	97.8	Very high	92.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.2	179.1	-44	-57	0	0	0	108.6	M209 V213 V221 S222 T223 V224 F238 F284 M309	M209-I282 HydrophobicContact CE-CG2 3.76Å; M209-I282 HydrophobicContact SD-CG2 4.24Å; V213-I282 HydrophobicContact CG2-CD1 3.77Å; V221-I282 HydrophobicContact CB-CD1 4.46Å; V221-I282 HydrophobicContact CB-CG1 4.19Å; V221-I282 HydrophobicContact CG2-CG1 4.05Å; S222-I282 PolarHBondContact O-N 3.43Å; T223-I282 CarbonylContact C-O 3.55Å; T223-I282 WeakPolarHBondContact CA-O 3.44Å; T223-I282 HydrophobicContact CG2-CB 4.14Å; T223-I282 HydrophobicContact CG2-CG1 4.4Å; V224-I282 PolarHBondContact N-O 3.3Å; F238-I282 HydrophobicContact CD1-CG2 4.48Å; F238-I282 HydrophobicContact CD2-CG2 4.25Å; F238-I282 HydrophobicContact CE1-CG1 3.92Å; F238-I282 HydrophobicContact CE1-CG2 4.48Å; F238-I282 HydrophobicContact CE2-CG1 4.35Å; F238-I282 HydrophobicContact CE2-CG2 4.23Å; F238-I282 HydrophobicContact CG-CG2 4.38Å; F238-I282 HydrophobicContact CZ-CD1 4.13Å; F238-I282 HydrophobicContact CZ-CG1 3.76Å; F238-I282 HydrophobicContact CZ-CG2 4.36Å; I282-F284 HydrophobicContact CG2-CD2 4.31Å; I282-F284 HydrophobicContact CG2-CE2 3.98Å; I282-M309 HydrophobicContact CD1-CB 3.86Å; I282-M309 HydrophobicContact CD1-CG 4.48Å; I282-M309 HydrophobicContact CD1-SD 4.04Å
283	I	97.1	Very high	92.6	Very high	2 Å²	2	41 Å²	41	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	115.8	-172.8	-56.2	-171.2	0	0	0	111.4	V224 V281 A285 I290 W308 M309 S311	V224-I283 HydrophobicContact CB-CG1 4.3Å; V224-I283 WeakPolarHBondContact O-CA 3.3Å; V281-I283 HydrophobicContact CG1-CD1 4.47Å; V281-I283 HydrophobicContact CG1-CG1 4.09Å; I283-A285 HydrophobicContact CG2-CB 3.5Å; I283-A285 VanDerWaalsContact CG2-CB 3.5Å; I283-I290 HydrophobicContact CG2-CG1 3.95Å; I283-W308 HydrophobicContact CD1-CE3 3.65Å; I283-W308 HydrophobicContact CD1-CZ3 4.09Å; I283-M309 PolarHBondContact N-O 2.78Å; I283-S311 PolarHBondContact O-N 2.67Å; I283-S311 VanDerWaalsContact O-N 3.16Å; I283-S311 PolarHBondContact O-OG 3.5Å
284	F	95.8	Very high	92.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	77.2	163.1	-68.5	-106.3	0	0	0	108.7	A206 M209 V224 A225 S226 G231 G234 V235 F238 I282	A206-F284 HydrophobicContact CB-CZ 4.43Å; M209-F284 HydrophobicContact CE-CE2 4.22Å; M209-F284 HydrophobicContact SD-CE1 4.24Å; M209-F284 HydrophobicContact SD-CE2 3.54Å; M209-F284 VanDerWaalsContact SD-CE2 3.54Å; M209-F284 HydrophobicContact SD-CZ 3.38Å; M209-F284 WeakPolarHBondContact SD-CZ 3.35Å; V224-F284 PolarHBondContact O-N 3.37Å; A225-F284 WeakPolarHBondContact CA-O 3.44Å; S226-F284 PolarHBondContact N-O 3.15Å; G231-F284 WeakPolarHBondContact CA-O 3.46Å; G234-F284 WeakPolarHBondContact O-CZ 3.45Å; V235-F284 HydrophobicContact CG2-CB 4.12Å; V235-F284 HydrophobicContact CG2-CD2 3.65Å; V235-F284 HydrophobicContact CG2-CE2 4.43Å; V235-F284 HydrophobicContact CG2-CG 4.2Å; F238-F284 HydrophobicContact CB-CE2 4.08Å; F238-F284 HydrophobicContact CB-CZ 4.39Å; I282-F284 HydrophobicContact CG2-CD2 4.31Å; I282-F284 HydrophobicContact CG2-CE2 3.98Å
285	A	92.2	Very high	92.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.			trans	-130.3	163.2	-176	0	0	0	0	0	111.5	S226 I256 I283 D289 I290 S313	S226-A285 WeakPolarHBondContact OG-CA 3.33Å; S226-A285 VanDerWaalsContact OG-CB 3.27Å; S226-A285 WeakPolarHBondContact OG-CB 3.49Å; I256-A285 HydrophobicContact CD1-CB 4.09Å; I283-A285 HydrophobicContact CG2-CB 3.5Å; I283-A285 VanDerWaalsContact CG2-CB 3.5Å; A285-D289 HydrophobicContact CB-CB 4.18Å; A285-I290 HydrophobicContact CB-CG1 3.99Å; A285-I290 WeakPolarHBondContact O-CD1 3.4Å; A285-S313 WeakPolarHBondContact O-CB 3.03Å; A285-S313 PolarHBondContact O-OG 3.04Å
286	N	86.6	Confident	92.8	Very high	70 Å²	70	32.3 Å²	32.3	37%	0.374	16%	0.156	S	C	.	.			trans	-68.7	155.6	173	-55.2	-69.4	0	0	0	110.5	S226 D288 D289 I290	S226-N286 WeakPolarHBondContact CB-ND2 3.49Å; S226-N286 PolarHBondContact OG-N 2.84Å; S226-N286 PolarHBondContact OG-ND2 3.03Å; N286-D288 VanDerWaalsContact C-N 3.26Å; N286-D288 PolarHBondContact O-N 2.86Å; N286-D289 HydrophobicContact CB-CB 4.41Å; N286-D289 WeakPolarHBondContact CB-OD2 3.48Å; N286-D289 PolarHBondContact ND2-OD2 2.76Å; N286-D289 WeakPolarHBondContact O-CA 3.42Å; N286-D289 WeakPolarHBondContact O-CB 3.33Å; N286-D289 PolarHBondContact O-N 2.04Å; N286-I290 VanDerWaalsContact O-CG1 3.32Å; N286-I290 WeakPolarHBondContact O-CG1 3.19Å; N286-I290 PolarHBondContact O-N 3Å
287	E	84.4	Confident	93.2	Very high	22 Å²	22	29.4 Å²	29.4	10%	0.103	14%	0.135	C	C	.	.	H	α-helix	trans	-55.7	-40.4	179.6	-161.5	-179.5	137.9	0	0	112.8	K74 D289 R291 K317 P320	K74-E287 WeakPolarHBondContact CE-OE2 3.25Å; K74-E287 IonicContact NZ-OE1 3.07Å; K74-E287 PolarHBondContact NZ-OE1 3.11Å; K74-E287 IonicContact NZ-OE2 3.51Å; K74-E287 PolarHBondContact NZ-OE2 3.19Å; E287-D289 VanDerWaalsContact C-N 3.34Å; E287-R291 PolarHBondContact O-N 2.79Å; E287-R291 VanDerWaalsContact O-N 3.15Å; E287-K317 HydrophobicContact CG-CD 4.31Å; E287-K317 VanDerWaalsContact OE2-CD 3.31Å; E287-K317 WeakPolarHBondContact OE2-CD 3.49Å; E287-K317 IonicContact OE2-NZ 2.79Å; E287-K317 PolarHBondContact OE2-NZ 2.97Å; E287-P320 HydrophobicContact CG-CB 4.07Å; E287-P320 HydrophobicContact CG-CG 3.99Å
288	D	82.9	Confident	93.4	Very high	101 Å²	101	30.1 Å²	30.1	54%	0.54	13%	0.131	S	C	.	.	H	α-helix	trans	-68.4	-32.2	176.8	-49.4	-61.5	0	0	0	112.4	N286 R292	N286-D288 VanDerWaalsContact C-N 3.26Å; N286-D288 PolarHBondContact O-N 2.86Å; D288-R292 WeakPolarHBondContact O-CD 3.21Å; D288-R292 VanDerWaalsContact O-CG 3.27Å; D288-R292 WeakPolarHBondContact O-CG 3.34Å; D288-R292 PolarHBondContact O-N 3.3Å
289	D	90.3	Very high	93.5	Very high	19 Å²	19	36.6 Å²	36.6	10%	0.102	16%	0.156	C	C	.	.	H	α-helix	trans	-77.1	-42.1	177.6	-65.7	-40.5	0	0	0	111.1	S226 I256 A285 N286 E287 R291 R292 V293	S226-D289 WeakPolarHBondContact CB-OD2 3.39Å; S226-D289 PolarHBondContact OG-OD2 3.36Å; I256-D289 HydrophobicContact CD1-CB 3.88Å; A285-D289 HydrophobicContact CB-CB 4.18Å; N286-D289 HydrophobicContact CB-CB 4.41Å; N286-D289 WeakPolarHBondContact CB-OD2 3.48Å; N286-D289 PolarHBondContact ND2-OD2 2.76Å; N286-D289 WeakPolarHBondContact O-CA 3.42Å; N286-D289 WeakPolarHBondContact O-CB 3.33Å; N286-D289 PolarHBondContact O-N 2.04Å; E287-D289 VanDerWaalsContact C-N 3.34Å; D289-R291 VanDerWaalsContact C-N 3.32Å; D289-R291 PolarHBondContact O-N 3.3Å; D289-R292 PolarHBondContact O-N 3.35Å; D289-R292 VanDerWaalsContact O-N 3.16Å; D289-V293 WeakPolarHBondContact O-CG2 3.32Å; D289-V293 PolarHBondContact O-N 3.31Å
290	I	93.8	Very high	93.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-54.4	-50.2	174.1	-69	157.2	0	0	0	109.8	I283 A285 N286 R292 V293 L294 W314 P320	I283-I290 HydrophobicContact CG2-CG1 3.95Å; A285-I290 HydrophobicContact CB-CG1 3.99Å; A285-I290 WeakPolarHBondContact O-CD1 3.4Å; N286-I290 VanDerWaalsContact O-CG1 3.32Å; N286-I290 WeakPolarHBondContact O-CG1 3.19Å; N286-I290 PolarHBondContact O-N 3Å; I290-R292 VanDerWaalsContact C-N 3.31Å; I290-R292 PolarHBondContact O-N 3.21Å; I290-V293 PolarHBondContact O-N 3.2Å; I290-L294 HydrophobicContact CG2-CD1 4.11Å; I290-L294 WeakPolarHBondContact O-CG 3.18Å; I290-L294 PolarHBondContact O-N 2.95Å; I290-W314 HydrophobicContact CD1-CB 3.86Å; I290-W314 HydrophobicContact CD1-CG 4.45Å; I290-W314 HydrophobicContact CG2-CD2 3.9Å; I290-W314 HydrophobicContact CG2-CE3 3.68Å; I290-W314 HydrophobicContact CG2-CG 4.46Å; I290-W314 HydrophobicContact CG2-CZ3 4.01Å; I290-P320 HydrophobicContact CB-CB 4.43Å; I290-P320 HydrophobicContact CG2-CB 4.02Å
291	R	92.6	Very high	93.4	Very high	60 Å²	60	41.2 Å²	41.2	23%	0.226	19%	0.192	C	C	.	.	H	α-helix	trans	-55.2	-46.3	177.8	-170.4	-175.3	171	78	24.1	111.8	E287 D289 V293 L294 E295 A319 L322 L324	E287-R291 PolarHBondContact O-N 2.79Å; E287-R291 VanDerWaalsContact O-N 3.15Å; D289-R291 VanDerWaalsContact C-N 3.32Å; D289-R291 PolarHBondContact O-N 3.3Å; R291-V293 PolarHBondContact O-N 3.31Å; R291-L294 PolarHBondContact O-N 3.37Å; R291-E295 IonicContact CZ-OE1 3.81Å; R291-E295 IonicContact NE-OE1 2.69Å; R291-E295 PolarHBondContact NE-OE1 3.38Å; R291-E295 IonicContact NH2-OE1 3.37Å; R291-E295 PolarHBondContact NH2-OE1 2.64Å; R291-E295 WeakPolarHBondContact O-CG 3.24Å; R291-E295 PolarHBondContact O-N 3.44Å; R291-A319 PolarHBondContact NH1-O 3.24Å; R291-L322 VanDerWaalsContact CZ-O 3.31Å; R291-L322 PolarHBondContact NH1-O 3.32Å; R291-L322 PolarHBondContact NH2-O 3.48Å; R291-L324 HydrophobicContact CG-CD1 3.85Å
292	R	92.9	Very high	93.2	Very high	117 Å²	117	43.3 Å²	43.3	44%	0.442	20%	0.202	S	C	.	.	H	α-helix	trans	-69	-31.4	-178.9	-69.8	169.5	-178.4	-153	-1.8	113	F265 D288 D289 I290 A296	F265-R292 HydrophobicContact CD1-CB 3.65Å; F265-R292 HydrophobicContact CD2-CB 4.03Å; F265-R292 HydrophobicContact CE1-CB 3.48Å; F265-R292 VanDerWaalsContact CE1-CB 3.48Å; F265-R292 HydrophobicContact CE2-CB 3.89Å; F265-R292 HydrophobicContact CE2-CG 4.32Å; F265-R292 HydrophobicContact CG-CB 3.93Å; F265-R292 HydrophobicContact CZ-CB 3.62Å; F265-R292 HydrophobicContact CZ-CG 4.23Å; D288-R292 WeakPolarHBondContact O-CD 3.21Å; D288-R292 VanDerWaalsContact O-CG 3.27Å; D288-R292 WeakPolarHBondContact O-CG 3.34Å; D288-R292 PolarHBondContact O-N 3.3Å; D289-R292 PolarHBondContact O-N 3.35Å; D289-R292 VanDerWaalsContact O-N 3.16Å; I290-R292 VanDerWaalsContact C-N 3.31Å; I290-R292 PolarHBondContact O-N 3.21Å; R292-A296 WeakPolarHBondContact O-CB 3.4Å; R292-A296 PolarHBondContact O-N 2.85Å
293	V	95.8	Very high	92.8	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-66.7	-45.7	170.6	170.7	0	0	0	0	110.8	I256 F265 I269 D289 I290 R291 A296 A297 W308	I256-V293 HydrophobicContact CD1-CG2 3.86Å; F265-V293 HydrophobicContact CD1-CG2 3.85Å; F265-V293 HydrophobicContact CE1-CG2 4.17Å; I269-V293 HydrophobicContact CD1-CG1 4.12Å; D289-V293 WeakPolarHBondContact O-CG2 3.32Å; D289-V293 PolarHBondContact O-N 3.31Å; I290-V293 PolarHBondContact O-N 3.2Å; R291-V293 PolarHBondContact O-N 3.31Å; V293-A296 PolarHBondContact O-N 2.79Å; V293-A297 PolarHBondContact O-N 3.11Å; V293-W308 HydrophobicContact CG1-CH2 4.25Å; V293-W308 HydrophobicContact CG1-CZ3 4.21Å
294	L	96	Very high	92.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-40.7	176.3	-66.3	173.9	0	0	0	111.9	I290 R291 A296 A297 R298 W308 W314 V321 L324 V327	I290-L294 HydrophobicContact CG2-CD1 4.11Å; I290-L294 WeakPolarHBondContact O-CG 3.18Å; I290-L294 PolarHBondContact O-N 2.95Å; R291-L294 PolarHBondContact O-N 3.37Å; L294-A296 VanDerWaalsContact C-N 3.34Å; L294-A296 PolarHBondContact O-N 3.31Å; L294-A297 PolarHBondContact O-N 3.34Å; L294-R298 PolarHBondContact O-N 3.49Å; L294-W308 HydrophobicContact CD2-CD2 4.13Å; L294-W308 HydrophobicContact CD2-CG 4.37Å; L294-W308 HydrophobicContact CD2-CZ2 3.91Å; L294-W314 HydrophobicContact CD1-CH2 4.02Å; L294-W314 HydrophobicContact CD1-CZ2 4.09Å; L294-W314 HydrophobicContact CD2-CH2 4.29Å; L294-V321 HydrophobicContact CD1-CG1 4.1Å; L294-L324 HydrophobicContact CB-CD1 3.87Å; L294-L324 HydrophobicContact CB-CD2 4.44Å; L294-V327 HydrophobicContact CD2-CG1 4.03Å
295	E	95	Very high	92.2	Very high	48 Å²	48	49.3 Å²	49.3	22%	0.224	24%	0.241	C	C	.	.	H	α-helix	trans	-60.7	-40.2	172.3	-77.2	172.4	-174.1	0	0	112.4	R291 R298 R299 L324	R291-E295 IonicContact CZ-OE1 3.81Å; R291-E295 IonicContact NE-OE1 2.69Å; R291-E295 PolarHBondContact NE-OE1 3.38Å; R291-E295 IonicContact NH2-OE1 3.37Å; R291-E295 PolarHBondContact NH2-OE1 2.64Å; R291-E295 WeakPolarHBondContact O-CG 3.24Å; R291-E295 PolarHBondContact O-N 3.44Å; E295-R298 PolarHBondContact O-N 3.05Å; E295-R299 WeakPolarHBondContact O-CG 3.28Å; E295-R299 PolarHBondContact O-N 3.49Å; E295-L324 HydrophobicContact CB-CD2 4.44Å; E295-L324 HydrophobicContact CG-CD1 4.01Å; E295-L324 HydrophobicContact CG-CD2 3.74Å; E295-L324 HydrophobicContact CG-CG 4.36Å
296	A	95.5	Very high	92.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.7	-39.8	175.3	0	0	0	0	0	112.4	F265 I269 R292 V293 L294 R298 R299 A300	F265-A296 HydrophobicContact CB-CB 3.88Å; I269-A296 HydrophobicContact CD1-CB 4.47Å; I269-A296 HydrophobicContact CG1-CB 3.63Å; R292-A296 WeakPolarHBondContact O-CB 3.4Å; R292-A296 PolarHBondContact O-N 2.85Å; V293-A296 PolarHBondContact O-N 2.79Å; L294-A296 VanDerWaalsContact C-N 3.34Å; L294-A296 PolarHBondContact O-N 3.31Å; A296-R298 VanDerWaalsContact C-N 3.3Å; A296-R298 PolarHBondContact O-N 3.06Å; A296-R299 PolarHBondContact O-N 3.34Å; A296-A300 WeakPolarHBondContact O-CB 3.17Å; A296-A300 PolarHBondContact O-N 3.28Å
297	A	95.8	Very high	92.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.3	-39.8	175.1	0	0	0	0	0	111.3	I269 V293 L294 A300 N301 Q302 W308 V327	I269-A297 HydrophobicContact CD1-CB 3.94Å; V293-A297 PolarHBondContact O-N 3.11Å; L294-A297 PolarHBondContact O-N 3.34Å; A297-A300 PolarHBondContact O-N 2.86Å; A297-N301 PolarHBondContact O-N 3Å; A297-Q302 PolarHBondContact O-N 3.32Å; A297-W308 HydrophobicContact CB-CH2 4.12Å; A297-W308 HydrophobicContact CB-CZ2 3.88Å; A297-V327 HydrophobicContact CB-CG1 4.02Å
298	R	95.5	Very high	93.2	Very high	106 Å²	106	45.5 Å²	45.5	40%	0.4	22%	0.221	S	C	.	.	H	α-helix	trans	-63.3	-49.1	171.5	-167.9	170.7	58	-176.8	-11.9	112.4	L294 E295 A296 A300 N301 H323 V327	L294-R298 PolarHBondContact O-N 3.49Å; E295-R298 PolarHBondContact O-N 3.05Å; A296-R298 VanDerWaalsContact C-N 3.3Å; A296-R298 PolarHBondContact O-N 3.06Å; R298-A300 PolarHBondContact O-N 2.96Å; R298-N301 PolarHBondContact O-N 2.95Å; R298-N301 PolarHBondContact O-OD1 3.13Å; R298-H323 PolarHBondContact NH1-O 3.04Å; R298-H323 PolarHBondContact NH2-O 2.95Å; R298-V327 HydrophobicContact CB-CG2 3.98Å; R298-V327 HydrophobicContact CG-CG2 4.26Å
299	R	95	Very high	93.8	Very high	136 Å²	136	40.7 Å²	40.7	51%	0.513	20%	0.195	S	C	.	.	H	α-helix	trans	-59.3	-27.3	177.6	-74.7	-169.8	-58.8	-92.6	1	113.2	D266 E295 A296 N301	D266-R299 IonicContact OD1-CZ 3.27Å; D266-R299 VanDerWaalsContact OD1-CZ 3.31Å; D266-R299 IonicContact OD1-NE 3.82Å; D266-R299 PolarHBondContact OD1-NE 3.35Å; D266-R299 IonicContact OD1-NH2 3.94Å; D266-R299 PolarHBondContact OD1-NH2 2.99Å; D266-R299 IonicContact OD2-NH2 2.63Å; E295-R299 WeakPolarHBondContact O-CG 3.28Å; E295-R299 PolarHBondContact O-N 3.49Å; A296-R299 PolarHBondContact O-N 3.34Å; R299-N301 VanDerWaalsContact C-N 3.33Å
300	A	94.8	Very high	94.1	Very high	39 Å²	39	39.8 Å²	39.8	32%	0.322	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	4.8	175.7	0	0	0	0	0	113.9	I269 A296 A297 R298 Q302	I269-A300 HydrophobicContact CG2-CB 3.75Å; A296-A300 WeakPolarHBondContact O-CB 3.17Å; A296-A300 PolarHBondContact O-N 3.28Å; A297-A300 PolarHBondContact O-N 2.86Å; R298-A300 PolarHBondContact O-N 2.96Å; A300-Q302 VanDerWaalsContact C-N 3.29Å; A300-Q302 HydrophobicContact CB-CG 3.89Å; A300-Q302 WeakPolarHBondContact O-CG 3.5Å; A300-Q302 PolarHBondContact O-N 3.36Å; A300-Q302 PolarHBondContact O-NE2 3.07Å
301	N	94.4	Very high	94.2	Very high	141 Å²	141	39.8 Å²	39.8	75%	0.754	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	38.9	-174.2	-62.2	-17.9	0	0	0	113.6	A297 R298 R299	A297-N301 PolarHBondContact O-N 3Å; R298-N301 PolarHBondContact O-N 2.95Å; R298-N301 PolarHBondContact O-OD1 3.13Å; R299-N301 VanDerWaalsContact C-N 3.33Å
302	Q	92.9	Very high	94.1	Very high	44 Å²	44	37.1 Å²	37.1	21%	0.206	18%	0.181	C	C	.	.			trans	-103.4	21.9	-178.8	-58.1	-52.3	-55.8	0	0	113.7	I269 L273 A297 A300 G304 H305 F306	I269-Q302 HydrophobicContact CG2-CG 4.35Å; L273-Q302 HydrophobicContact CD1-CG 4.1Å; L273-Q302 HydrophobicContact CD2-CG 4.16Å; A297-Q302 PolarHBondContact O-N 3.32Å; A300-Q302 VanDerWaalsContact C-N 3.29Å; A300-Q302 HydrophobicContact CB-CG 3.89Å; A300-Q302 WeakPolarHBondContact O-CG 3.5Å; A300-Q302 PolarHBondContact O-N 3.36Å; A300-Q302 PolarHBondContact O-NE2 3.07Å; Q302-G304 PolarHBondContact O-N 2.84Å; Q302-H305 HydrophobicContact CB-CB 4.11Å; Q302-H305 WeakPolarHBondContact O-CB 3.39Å; Q302-H305 PolarHBondContact O-N 3.42Å; Q302-F306 HydrophobicContact CB-CD2 4.15Å; Q302-F306 HydrophobicContact CB-CE2 3.9Å; Q302-F306 HydrophobicContact CG-CE2 4.21Å
303	T	90.5	Very high	93.9	Very high	60 Å²	60	32.2 Å²	32.2	37%	0.368	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	130	171.3	-49.8	0	0	0	0	110.2	H305 E326 V327	T303-H305 PolarHBondContact O-N 3.38Å; T303-E326 HydrophobicContact CG2-CB 3.89Å; T303-E326 WeakPolarHBondContact CG2-O 3.5Å; T303-V327 HydrophobicContact CG2-CG2 4.32Å
304	G	87.5	Confident	93.7	Very high	27 Å²	27	32.1 Å²	32.1	28%	0.278	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	-4.6	-176.4	0	0	0	0	0	116.3	R279 Q302	R279-G304 PolarHBondContact NH2-O 2.97Å; Q302-G304 PolarHBondContact O-N 2.84Å
305	H	91.3	Very high	93.4	Very high	41 Å²	41	32 Å²	32	19%	0.19	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-52.9	174.2	-179.8	-90.1	0	0	0	110.8	R279 Q302 T303	R279-H305 VanDerWaalsContact CZ-O 3.3Å; R279-H305 PolarHBondContact NE-O 3.06Å; R279-H305 PolarHBondContact NH2-O 2.74Å; Q302-H305 HydrophobicContact CB-CB 4.11Å; Q302-H305 WeakPolarHBondContact O-CB 3.39Å; Q302-H305 PolarHBondContact O-N 3.42Å; T303-H305 PolarHBondContact O-N 3.38Å
306	F	93.9	Very high	93.1	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.026	16%	0.162	C	C	.	.			trans	-91.7	146.7	-176.9	-60.5	-72.6	0	0	0	112.3	I269 L272 L273 R279 V281 Q302 W308	I269-F306 HydrophobicContact CG2-CE2 4.46Å; L272-F306 HydrophobicContact CB-CE1 3.89Å; L272-F306 HydrophobicContact CB-CZ 3.78Å; L273-F306 HydrophobicContact CD2-CE2 4.14Å; L273-F306 HydrophobicContact CD2-CZ 3.67Å; L273-F306 HydrophobicContact CG-CZ 4.05Å; R279-F306 CarbonylContact O-C 3.42Å; R279-F306 VanDerWaalsContact O-CA 3.26Å; R279-F306 WeakPolarHBondContact O-CA 3.22Å; V281-F306 HydrophobicContact CG2-CB 4.15Å; V281-F306 HydrophobicContact CG2-CD1 3.57Å; V281-F306 HydrophobicContact CG2-CE1 4.31Å; V281-F306 HydrophobicContact CG2-CG 4.12Å; Q302-F306 HydrophobicContact CB-CD2 4.15Å; Q302-F306 HydrophobicContact CB-CE2 3.9Å; Q302-F306 HydrophobicContact CG-CE2 4.21Å; F306-W308 HydrophobicContact CB-CD2 4.29Å; F306-W308 HydrophobicContact CB-CE3 4.32Å; F306-W308 HydrophobicContact CB-CH2 3.82Å; F306-W308 HydrophobicContact CB-CZ2 3.75Å; F306-W308 HydrophobicContact CB-CZ3 4.1Å; F306-W308 AromaticContact CD2-CH2 3.91Å; F306-W308 HydrophobicContact CD2-CH2 3.91Å; F306-W308 HydrophobicContact CD2-CZ2 4.16Å; F306-W308 HydrophobicContact CG-CH2 4.03Å; F306-W308 HydrophobicContact CG-CZ2 4.32Å; F306-W308 HydrophobicContact CG-CZ3 4.44Å
307	F	94.2	Very high	92.6	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.018	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	108.2	171.7	-56.1	-69.5	0	0	0	108.6	W218 R279 A280 V281 W508 P509 P516	W218-F307 HydrophobicContact CH2-CB 3.86Å; W218-F307 HydrophobicContact CZ2-CB 4Å; W218-F307 HydrophobicContact CZ2-CG 4.46Å; R279-F307 HydrophobicContact CB-CD2 3.8Å; R279-F307 HydrophobicContact CB-CE2 3.94Å; R279-F307 VanDerWaalsContact CZ-CE2 3.5Å; R279-F307 VanDerWaalsContact NH2-CZ 3.3Å; R279-F307 PolarHBondContact O-N 3Å; A280-F307 WeakPolarHBondContact CA-O 3.49Å; V281-F307 PolarHBondContact N-O 3.1Å; F307-W508 HydrophobicContact CB-CZ3 4.27Å; F307-W508 AromaticContact CD1-CE3 3.81Å; F307-W508 HydrophobicContact CD1-CE3 3.81Å; F307-W508 AromaticContact CD1-CZ3 3.87Å; F307-W508 HydrophobicContact CD1-CZ3 3.87Å; F307-W508 HydrophobicContact CE1-CE3 4.22Å; F307-W508 HydrophobicContact CG-CZ3 4.33Å; F307-P509 HydrophobicContact CE1-CG 4.32Å; F307-P516 HydrophobicContact CD1-CB 4.2Å; F307-P516 HydrophobicContact CD1-CG 4.19Å; F307-P516 HydrophobicContact CD2-CB 3.86Å; F307-P516 HydrophobicContact CD2-CG 4.29Å; F307-P516 HydrophobicContact CE1-CB 3.76Å; F307-P516 HydrophobicContact CE1-CG 4.16Å; F307-P516 HydrophobicContact CE2-CB 3.39Å; F307-P516 HydrophobicContact CE2-CG 4.26Å; F307-P516 HydrophobicContact CG-CB 4.25Å; F307-P516 HydrophobicContact CG-CG 4.26Å; F307-P516 HydrophobicContact CZ-CB 3.33Å; F307-P516 HydrophobicContact CZ-CG 4.2Å
308	W	95.8	Very high	92.1	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.011	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	137.5	-173.7	-45.4	105.9	0	0	0	111.7	V281 I283 V293 L294 A297 F306 W314 V327 A331 V332	V281-W308 HydrophobicContact CB-CE3 3.81Å; V281-W308 HydrophobicContact CB-CZ3 3.96Å; V281-W308 HydrophobicContact CG1-CE3 4.15Å; V281-W308 HydrophobicContact CG1-CZ3 4.03Å; V281-W308 HydrophobicContact CG2-CE3 4.33Å; V281-W308 HydrophobicContact CG2-CZ3 4.13Å; I283-W308 HydrophobicContact CD1-CE3 3.65Å; I283-W308 HydrophobicContact CD1-CZ3 4.09Å; V293-W308 HydrophobicContact CG1-CH2 4.25Å; V293-W308 HydrophobicContact CG1-CZ3 4.21Å; L294-W308 HydrophobicContact CD2-CD2 4.13Å; L294-W308 HydrophobicContact CD2-CG 4.37Å; L294-W308 HydrophobicContact CD2-CZ2 3.91Å; A297-W308 HydrophobicContact CB-CH2 4.12Å; A297-W308 HydrophobicContact CB-CZ2 3.88Å; F306-W308 HydrophobicContact CB-CD2 4.29Å; F306-W308 HydrophobicContact CB-CE3 4.32Å; F306-W308 HydrophobicContact CB-CH2 3.82Å; F306-W308 HydrophobicContact CB-CZ2 3.75Å; F306-W308 HydrophobicContact CB-CZ3 4.1Å; F306-W308 AromaticContact CD2-CH2 3.91Å; F306-W308 HydrophobicContact CD2-CH2 3.91Å; F306-W308 HydrophobicContact CD2-CZ2 4.16Å; F306-W308 HydrophobicContact CG-CH2 4.03Å; F306-W308 HydrophobicContact CG-CZ2 4.32Å; F306-W308 HydrophobicContact CG-CZ3 4.44Å; W308-W314 HydrophobicContact CB-CH2 3.88Å; W308-W314 HydrophobicContact CB-CZ3 3.77Å; W308-W314 HydrophobicContact CG-CH2 4.15Å; W308-W314 HydrophobicContact CG-CZ3 4.32Å; W308-V327 PolarHBondContact NE1-O 3.09Å; W308-A331 HydrophobicContact CB-CB 3.94Å; W308-A331 WeakPolarHBondContact O-CA 3.43Å; W308-V332 PolarHBondContact O-N 3.01Å
309	M	96.8	Very high	91.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	109	165.3	-169.3	-179.1	-73.6	0	0	109.8	M209 I212 V213 L216 W218 V281 I282 I283 V332	M209-M309 HydrophobicContact CB-SD 3.89Å; M209-M309 HydrophobicContact CE-CB 4.46Å; M209-M309 HydrophobicContact CE-CG 3.78Å; M209-M309 HydrophobicContact CE-SD 4.18Å; M209-M309 HydrophobicContact CG-SD 3.94Å; I212-M309 HydrophobicContact CB-CE 3.92Å; I212-M309 HydrophobicContact CG2-CE 3.47Å; I212-M309 VanDerWaalsContact CG2-CE 3.47Å; V213-M309 HydrophobicContact CG2-CE 3.63Å; V213-M309 HydrophobicContact CG2-SD 3.93Å; L216-M309 HydrophobicContact CD1-CE 4.35Å; W218-M309 HydrophobicContact CZ3-CE 3.99Å; V281-M309 PolarHBondContact O-N 3.07Å; I282-M309 HydrophobicContact CD1-CB 3.86Å; I282-M309 HydrophobicContact CD1-CG 4.48Å; I282-M309 HydrophobicContact CD1-SD 4.04Å; I283-M309 PolarHBondContact N-O 2.78Å; M309-V332 CarbonylContact C-O 3.56Å; M309-V332 VanDerWaalsContact CA-O 3.24Å; M309-V332 WeakPolarHBondContact CA-O 3.4Å
310	G	96.1	Very high	91.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	141.1	-174.2	0	0	0	0	0	114.2	V332 T333 I334	G310-V332 PolarHBondContact N-O 3.49Å; G310-T333 WeakPolarHBondContact O-CA 3.35Å; G310-I334 PolarHBondContact O-N 2.96Å
311	S	95.1	Very high	91	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.153	C	C	.	.			trans	-69.7	-178.3	169.1	58.6	0	0	0	0	113.2	Y230 I283 S313 W314 G315	Y230-S311 WeakPolarHBondContact OH-CB 3.35Å; Y230-S311 PolarHBondContact OH-OG 2.94Å; I283-S311 PolarHBondContact O-N 2.67Å; I283-S311 VanDerWaalsContact O-N 3.16Å; I283-S311 PolarHBondContact O-OG 3.5Å; S311-S313 PolarHBondContact O-N 2.87Å; S311-S313 PolarHBondContact OG-OG 2.87Å; S311-S313 VanDerWaalsContact OG-OG 3.05Å; S311-W314 WeakPolarHBondContact O-CB 3.09Å; S311-W314 PolarHBondContact O-N 3.27Å; S311-G315 PolarHBondContact O-N 3.2Å
312	D	91.4	Very high	90.8	Very high	4 Å²	4	23 Å²	23	2%	0.021	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.6	-177.6	80.7	-60.8	0	0	0	115	Q205 Y230 W314 I334 L335 P336 K405	Q205-D312 PolarHBondContact NE2-OD1 2.96Å; Y230-D312 PolarHBondContact OH-OD1 2.95Å; D312-W314 PolarHBondContact O-N 2.88Å; D312-I334 VanDerWaalsContact CA-O 3.29Å; D312-I334 WeakPolarHBondContact CA-O 3.25Å; D312-L335 HydrophobicContact CB-CD2 4.21Å; D312-P336 HydrophobicContact CB-CG 4.37Å; D312-K405 WeakPolarHBondContact OD2-CE 3.3Å; D312-K405 IonicContact OD2-NZ 3.37Å; D312-K405 PolarHBondContact OD2-NZ 3.12Å
313	S	88.3	Confident	90.7	Very high	14 Å²	14	26.7 Å²	26.7	10%	0.098	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-31.3	168.6	60	0	0	0	0	111.8	Y230 A285 S311 K317	Y230-S313 WeakPolarHBondContact OH-CB 3.45Å; Y230-S313 PolarHBondContact OH-N 2.92Å; Y230-S313 PolarHBondContact OH-OG 3.17Å; A285-S313 WeakPolarHBondContact O-CB 3.03Å; A285-S313 PolarHBondContact O-OG 3.04Å; S311-S313 PolarHBondContact O-N 2.87Å; S311-S313 PolarHBondContact OG-OG 2.87Å; S311-S313 VanDerWaalsContact OG-OG 3.05Å; S313-K317 PolarHBondContact O-NZ 2.91Å
314	W	91.6	Very high	90.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-66.8	167.1	-165.2	-20.5	0	0	0	110.1	I290 L294 W308 S311 D312 S316 K317 P320 V321 A328 A331 T333 Y489	I290-W314 HydrophobicContact CD1-CB 3.86Å; I290-W314 HydrophobicContact CD1-CG 4.45Å; I290-W314 HydrophobicContact CG2-CD2 3.9Å; I290-W314 HydrophobicContact CG2-CE3 3.68Å; I290-W314 HydrophobicContact CG2-CG 4.46Å; I290-W314 HydrophobicContact CG2-CZ3 4.01Å; L294-W314 HydrophobicContact CD1-CH2 4.02Å; L294-W314 HydrophobicContact CD1-CZ2 4.09Å; L294-W314 HydrophobicContact CD2-CH2 4.29Å; W308-W314 HydrophobicContact CB-CH2 3.88Å; W308-W314 HydrophobicContact CB-CZ3 3.77Å; W308-W314 HydrophobicContact CG-CH2 4.15Å; W308-W314 HydrophobicContact CG-CZ3 4.32Å; S311-W314 WeakPolarHBondContact O-CB 3.09Å; S311-W314 PolarHBondContact O-N 3.27Å; D312-W314 PolarHBondContact O-N 2.88Å; W314-S316 PolarHBondContact O-N 3Å; W314-K317 WeakPolarHBondContact O-CB 3.48Å; W314-K317 VanDerWaalsContact O-CG 3.32Å; W314-K317 WeakPolarHBondContact O-CG 3.2Å; W314-K317 PolarHBondContact O-N 3.49Å; W314-P320 HydrophobicContact CG-CG 4.41Å; W314-V321 HydrophobicContact CZ2-CG1 3.44Å; W314-V321 VanDerWaalsContact CZ2-CG1 3.44Å; W314-A328 HydrophobicContact CZ2-CB 4.13Å; W314-A331 HydrophobicContact CH2-CB 3.83Å; W314-A331 HydrophobicContact CZ2-CB 4.05Å; W314-T333 HydrophobicContact CB-CG2 4.2Å; W314-T333 HydrophobicContact CD2-CG2 3.79Å; W314-T333 HydrophobicContact CE3-CG2 4.25Å; W314-T333 HydrophobicContact CG-CG2 3.78Å; W314-Y489 AromaticContact NE1-CZ 3.88Å; W314-Y489 PolarHBondContact NE1-OH 2.8Å
315	G	89.8	Confident	91	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	-130.7	-176.3	0	0	0	0	0	113.5	S311 T333 Y489	S311-G315 PolarHBondContact O-N 3.2Å; G315-T333 VanDerWaalsContact O-CB 3.28Å; G315-T333 WeakPolarHBondContact O-CB 3.25Å; G315-T333 PolarHBondContact O-OG1 2.91Å; G315-Y489 WeakPolarHBondContact O-CE1 3.43Å
316	S	88.6	Confident	90.9	Very high	29 Å²	29	29.4 Å²	29.4	20%	0.203	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	23	-179.4	75.6	0	0	0	0	114.2	W314 L335 R338 Y489	W314-S316 PolarHBondContact O-N 3Å; S316-L335 WeakPolarHBondContact OG-CD1 3.36Å; S316-R338 PolarHBondContact OG-NH2 3.27Å; S316-R338 VanDerWaalsContact OG-NH2 3.13Å; S316-Y489 VanDerWaalsContact C-CD2 3.46Å; S316-Y489 VanDerWaalsContact O-CD2 3.31Å; S316-Y489 WeakPolarHBondContact O-CD2 3.47Å
317	K	85.9	Confident	90.9	Very high	45 Å²	45	29.4 Å²	29.4	20%	0.196	15%	0.153	C	C	.	.			trans	-86.1	136.5	-173.5	-60	173.1	-168.8	164.6	0	111.9	E287 S313 W314 P320 Y489	E287-K317 HydrophobicContact CG-CD 4.31Å; E287-K317 VanDerWaalsContact OE2-CD 3.31Å; E287-K317 WeakPolarHBondContact OE2-CD 3.49Å; E287-K317 IonicContact OE2-NZ 2.79Å; E287-K317 PolarHBondContact OE2-NZ 2.97Å; S313-K317 PolarHBondContact O-NZ 2.91Å; W314-K317 WeakPolarHBondContact O-CB 3.48Å; W314-K317 VanDerWaalsContact O-CG 3.32Å; W314-K317 WeakPolarHBondContact O-CG 3.2Å; W314-K317 PolarHBondContact O-N 3.49Å; K317-P320 HydrophobicContact CB-CG 4.38Å; K317-P320 WeakPolarHBondContact O-CD 3.41Å; K317-Y489 WeakPolarHBondContact O-CE2 3.4Å
318	I	85.1	Confident	90.9	Very high	86 Å²	86	29.2 Å²	29.2	44%	0.441	15%	0.153	S	C	.	.	S	Bend	trans	-76.5	-32.8	176.5	-161.7	64.8	0	0	0	113.4	V321 L322	I318-V321 HydrophobicContact CD1-CG2 3.98Å; I318-V321 CarbonylContact O-C 3.53Å; I318-V321 VanDerWaalsContact O-CG2 3.24Å; I318-V321 WeakPolarHBondContact O-CG2 3.45Å; I318-V321 PolarHBondContact O-N 3.4Å; I318-L322 PolarHBondContact O-N 3.31Å
319	A	83.6	Confident	90.7	Very high	47 Å²	47	31 Å²	31	39%	0.388	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-43.7	-174.3	0	0	0	0	0	116.5	R291 V321	R291-A319 PolarHBondContact NH1-O 3.24Å; A319-V321 VanDerWaalsContact C-N 3.29Å; A319-V321 PolarHBondContact O-N 3.5Å
320	P	87.2	Confident	90.5	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.9	177	27.6	-35.3	0	0	0	114.4	E287 I290 W314 K317 L324	E287-P320 HydrophobicContact CG-CB 4.07Å; E287-P320 HydrophobicContact CG-CG 3.99Å; I290-P320 HydrophobicContact CB-CB 4.43Å; I290-P320 HydrophobicContact CG2-CB 4.02Å; W314-P320 HydrophobicContact CG-CG 4.41Å; K317-P320 HydrophobicContact CB-CG 4.38Å; K317-P320 WeakPolarHBondContact O-CD 3.41Å; P320-L324 WeakPolarHBondContact O-CD1 3.22Å
321	V	91.5	Very high	90.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-5.9	-177.4	-60	0	0	0	0	114.3	L294 W314 I318 A319 H323 L324 E325 A328 Y480 Y489	L294-V321 HydrophobicContact CD1-CG1 4.1Å; W314-V321 HydrophobicContact CZ2-CG1 3.44Å; W314-V321 VanDerWaalsContact CZ2-CG1 3.44Å; I318-V321 HydrophobicContact CD1-CG2 3.98Å; I318-V321 CarbonylContact O-C 3.53Å; I318-V321 VanDerWaalsContact O-CG2 3.24Å; I318-V321 WeakPolarHBondContact O-CG2 3.45Å; I318-V321 PolarHBondContact O-N 3.4Å; A319-V321 VanDerWaalsContact C-N 3.29Å; A319-V321 PolarHBondContact O-N 3.5Å; V321-H323 PolarHBondContact O-N 3.33Å; V321-L324 CarbonylContact O-C 3.58Å; V321-L324 WeakPolarHBondContact O-CA 3.17Å; V321-L324 WeakPolarHBondContact O-CB 3.25Å; V321-L324 PolarHBondContact O-N 2.91Å; V321-E325 PolarHBondContact O-N 3.46Å; V321-A328 HydrophobicContact CB-CB 4Å; V321-A328 HydrophobicContact CG1-CB 3.53Å; V321-Y480 HydrophobicContact CG2-CE2 4.07Å; V321-Y489 WeakPolarHBondContact CG1-OH 3.08Å; V321-Y489 HydrophobicContact CG2-CE2 4.36Å
322	L	89.4	Confident	90.5	Very high	72 Å²	72	31.1 Å²	31.1	38%	0.377	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	124.2	179.9	-177.4	67.5	0	0	0	111.5	R291 I318 L324	R291-L322 VanDerWaalsContact CZ-O 3.31Å; R291-L322 PolarHBondContact NH1-O 3.32Å; R291-L322 PolarHBondContact NH2-O 3.48Å; I318-L322 PolarHBondContact O-N 3.31Å; L322-L324 VanDerWaalsContact C-N 3.27Å
323	H	90.6	Very high	90.7	Very high	122 Å²	122	30.9 Å²	30.9	57%	0.565	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	27.8	-170.6	-45.1	-42.2	0	0	0	114.2	R298 V321 E325	R298-H323 PolarHBondContact NH1-O 3.04Å; R298-H323 PolarHBondContact NH2-O 2.95Å; V321-H323 PolarHBondContact O-N 3.33Å; H323-E325 WeakPolarHBondContact CA-OE2 3.26Å; H323-E325 VanDerWaalsContact N-CD 3.26Å; H323-E325 PolarHBondContact N-OE1 3.4Å; H323-E325 PolarHBondContact N-OE2 3.28Å; H323-E325 VanDerWaalsContact N-OE2 3.17Å
324	L	92.9	Very high	91	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.016	16%	0.156	C	C	.	.			trans	-141.3	17.6	179	-63.4	162	0	0	0	111.8	R291 L294 E295 P320 V321 L322 E326 V327 A328	R291-L324 HydrophobicContact CG-CD1 3.85Å; L294-L324 HydrophobicContact CB-CD1 3.87Å; L294-L324 HydrophobicContact CB-CD2 4.44Å; E295-L324 HydrophobicContact CB-CD2 4.44Å; E295-L324 HydrophobicContact CG-CD1 4.01Å; E295-L324 HydrophobicContact CG-CD2 3.74Å; E295-L324 HydrophobicContact CG-CG 4.36Å; P320-L324 WeakPolarHBondContact O-CD1 3.22Å; V321-L324 CarbonylContact O-C 3.58Å; V321-L324 WeakPolarHBondContact O-CA 3.17Å; V321-L324 WeakPolarHBondContact O-CB 3.25Å; V321-L324 PolarHBondContact O-N 2.91Å; L322-L324 VanDerWaalsContact C-N 3.27Å; L324-E326 PolarHBondContact O-N 3.48Å; L324-V327 WeakPolarHBondContact O-CA 3.27Å; L324-V327 WeakPolarHBondContact O-CB 3.31Å; L324-V327 PolarHBondContact O-N 2.95Å; L324-A328 PolarHBondContact O-N 3.29Å; L324-A328 VanDerWaalsContact O-N 3.15Å
325	E	91.8	Very high	91.1	Very high	54 Å²	54	30.4 Å²	30.4	25%	0.252	16%	0.157	S	C	.	.	H	α-helix	trans	-62.6	-41.2	-162.5	-63.8	82.9	178.3	0	0	112.3	V321 H323 V327 A328 E329 Y480 L482	V321-E325 PolarHBondContact O-N 3.46Å; H323-E325 WeakPolarHBondContact CA-OE2 3.26Å; H323-E325 VanDerWaalsContact N-CD 3.26Å; H323-E325 PolarHBondContact N-OE1 3.4Å; H323-E325 PolarHBondContact N-OE2 3.28Å; H323-E325 VanDerWaalsContact N-OE2 3.17Å; E325-V327 VanDerWaalsContact C-N 3.25Å; E325-V327 PolarHBondContact O-N 3.15Å; E325-A328 CarbonylContact O-C 3.54Å; E325-A328 PolarHBondContact O-N 3.31Å; E325-E329 PolarHBondContact O-N 3.24Å; E325-E329 VanDerWaalsContact O-N 3.11Å; E325-Y480 HydrophobicContact CB-CE1 4.11Å; E325-Y480 HydrophobicContact CG-CE1 4.44Å; E325-Y480 WeakPolarHBondContact CG-OH 3.39Å; E325-L482 HydrophobicContact CB-CD1 4.25Å
326	E	90.3	Very high	91.1	Very high	128 Å²	128	30.7 Å²	30.7	60%	0.598	16%	0.159	S	C	*	.	H	α-helix	trans	-59	-32.2	172.6	-57.6	173.9	171.1	0	0	113.4	T303 L324	T303-E326 HydrophobicContact CG2-CB 3.89Å; T303-E326 WeakPolarHBondContact CG2-O 3.5Å; L324-E326 PolarHBondContact O-N 3.48Å
327	V	93.6	Very high	91.1	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.03	17%	0.166	C	C	.	.	H	α-helix	trans	-82	-26.7	-177.8	-167.6	0	0	0	0	110.5	L294 A297 R298 T303 W308 L324 E325	L294-V327 HydrophobicContact CD2-CG1 4.03Å; A297-V327 HydrophobicContact CB-CG1 4.02Å; R298-V327 HydrophobicContact CB-CG2 3.98Å; R298-V327 HydrophobicContact CG-CG2 4.26Å; T303-V327 HydrophobicContact CG2-CG2 4.32Å; W308-V327 PolarHBondContact NE1-O 3.09Å; L324-V327 WeakPolarHBondContact O-CA 3.27Å; L324-V327 WeakPolarHBondContact O-CB 3.31Å; L324-V327 PolarHBondContact O-N 2.95Å; E325-V327 VanDerWaalsContact C-N 3.25Å; E325-V327 PolarHBondContact O-N 3.15Å
328	A	93.7	Very high	91.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-89	-5	175.8	0	0	0	0	0	113.5	W314 V321 L324 E325 G330 A331 Y480	W314-A328 HydrophobicContact CZ2-CB 4.13Å; V321-A328 HydrophobicContact CB-CB 4Å; V321-A328 HydrophobicContact CG1-CB 3.53Å; L324-A328 PolarHBondContact O-N 3.29Å; L324-A328 VanDerWaalsContact O-N 3.15Å; E325-A328 CarbonylContact O-C 3.54Å; E325-A328 PolarHBondContact O-N 3.31Å; A328-G330 PolarHBondContact O-N 3.29Å; A328-A331 WeakPolarHBondContact O-CB 3.32Å; A328-A331 PolarHBondContact O-N 2.88Å; A328-Y480 HydrophobicContact CB-CD1 3.69Å; A328-Y480 HydrophobicContact CB-CE1 3.94Å
329	E	92.1	Very high	91.1	Very high	42 Å²	42	35 Å²	35	20%	0.196	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	129.8	-175.8	-161.3	-159.3	146.3	0	0	112.1	E325 A331 L482 H507	E325-E329 PolarHBondContact O-N 3.24Å; E325-E329 VanDerWaalsContact O-N 3.11Å; E329-A331 PolarHBondContact O-N 3.42Å; E329-L482 HydrophobicContact CG-CB 4.36Å; E329-L482 HydrophobicContact CG-CD1 4.34Å; E329-H507 IonicContact OE1-CD2 2.8Å
330	G	91.6	Very high	91.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.01	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-3.3	-178.5	0	0	0	0	0	114.5	A328 V332 Q479 Y480 W508	A328-G330 PolarHBondContact O-N 3.29Å; G330-V332 PolarHBondContact O-N 2.79Å; G330-Q479 WeakPolarHBondContact O-CG 3.29Å; G330-Q479 PolarHBondContact O-NE2 2.89Å; G330-Y480 WeakPolarHBondContact CA-O 3.37Å; G330-Y480 PolarHBondContact N-O 3.29Å; G330-W508 WeakPolarHBondContact O-CZ3 3.46Å
331	A	95.1	Very high	91.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.181	C	C	.	.			trans	-56	132.2	176.7	0	0	0	0	0	111.3	W308 W314 A328 E329 Q479 Y480	W308-A331 HydrophobicContact CB-CB 3.94Å; W308-A331 WeakPolarHBondContact O-CA 3.43Å; W314-A331 HydrophobicContact CH2-CB 3.83Å; W314-A331 HydrophobicContact CZ2-CB 4.05Å; A328-A331 WeakPolarHBondContact O-CB 3.32Å; A328-A331 PolarHBondContact O-N 2.88Å; E329-A331 PolarHBondContact O-N 3.42Å; A331-Q479 CarbonylContact O-C 3.54Å; A331-Q479 VanDerWaalsContact O-CA 3.32Å; A331-Q479 WeakPolarHBondContact O-CA 3.45Å; A331-Q479 WeakPolarHBondContact O-CG 3.39Å; A331-Y480 PolarHBondContact O-N 3.24Å
332	V	96.1	Very high	91.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.9	177.2	178.3	0	0	0	0	108.5	I212 W308 M309 G310 G330 I477 Y478 Q479 I492 M506 W508	I212-V332 HydrophobicContact CG2-CG1 4.34Å; W308-V332 PolarHBondContact O-N 3.01Å; M309-V332 CarbonylContact C-O 3.56Å; M309-V332 VanDerWaalsContact CA-O 3.24Å; M309-V332 WeakPolarHBondContact CA-O 3.4Å; G310-V332 PolarHBondContact N-O 3.49Å; G330-V332 PolarHBondContact O-N 2.79Å; V332-I477 HydrophobicContact CG1-CG2 3.97Å; V332-Y478 WeakPolarHBondContact CA-O 3.26Å; V332-Q479 HydrophobicContact CG2-CG 4.22Å; V332-I492 HydrophobicContact CG1-CD1 4.41Å; V332-M506 HydrophobicContact CG2-CE 3.71Å; V332-W508 HydrophobicContact CG2-CH2 3.97Å
333	T	96.1	Very high	91.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	156.9	178.6	61.1	0	0	0	0	111.3	G310 W314 G315 Y478	G310-T333 WeakPolarHBondContact O-CA 3.35Å; W314-T333 HydrophobicContact CB-CG2 4.2Å; W314-T333 HydrophobicContact CD2-CG2 3.79Å; W314-T333 HydrophobicContact CE3-CG2 4.25Å; W314-T333 HydrophobicContact CG-CG2 3.78Å; G315-T333 VanDerWaalsContact O-CB 3.28Å; G315-T333 WeakPolarHBondContact O-CB 3.25Å; G315-T333 PolarHBondContact O-OG1 2.91Å; T333-Y478 PolarHBondContact N-O 2.83Å; T333-Y478 PolarHBondContact O-N 3Å
334	I	95	Very high	92.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146	-178.1	60.7	-163.6	0	0	0	110.4	Q205 M209 I212 G310 D312 I477	Q205-I334 HydrophobicContact CG-CD1 3.38Å; Q205-I334 HydrophobicContact CG-CG1 4.1Å; M209-I334 HydrophobicContact CE-CD1 4.19Å; M209-I334 HydrophobicContact CG-CD1 3.38Å; M209-I334 HydrophobicContact SD-CD1 3.79Å; I212-I334 HydrophobicContact CD1-CG2 3.93Å; G310-I334 PolarHBondContact O-N 2.96Å; D312-I334 VanDerWaalsContact CA-O 3.29Å; D312-I334 WeakPolarHBondContact CA-O 3.25Å; I334-I477 HydrophobicContact CG2-CG1 4.22Å; I334-I477 HydrophobicContact CG2-CG2 4.27Å
335	L	92.3	Very high	92.1	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140.3	174.7	-84.5	173.8	0	0	0	110.4	D312 S316 K337 Y475 D476 Y478	D312-L335 HydrophobicContact CB-CD2 4.21Å; S316-L335 WeakPolarHBondContact OG-CD1 3.36Å; L335-K337 PolarHBondContact O-N 2.8Å; L335-Y475 CarbonylContact O-C 3.56Å; L335-Y475 WeakPolarHBondContact O-CA 3.28Å; L335-Y475 WeakPolarHBondContact O-CB 3.41Å; L335-D476 PolarHBondContact N-O 2.83Å; L335-D476 VanDerWaalsContact N-O 3.07Å; L335-D476 PolarHBondContact O-N 2.61Å; L335-Y478 HydrophobicContact CB-CE2 4.13Å; L335-Y478 HydrophobicContact CD1-CD2 4.42Å; L335-Y478 HydrophobicContact CD1-CE2 3.9Å; L335-Y478 HydrophobicContact CG-CE2 4.41Å
336	P	91.3	Very high	92.2	Very high	6 Å²	6	45.9 Å²	45.9	4%	0.039	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	132.2	161.7	-24.7	34	0	0	0	109.9	P200 D312 R338 F408 R474 Y475	P200-P336 HydrophobicContact CG-CB 4.4Å; P200-P336 HydrophobicContact CG-CG 4.48Å; D312-P336 HydrophobicContact CB-CG 4.37Å; P336-R338 PolarHBondContact O-N 2.71Å; P336-F408 HydrophobicContact CB-CE2 4.26Å; P336-F408 HydrophobicContact CB-CZ 3.96Å; P336-R474 WeakPolarHBondContact CA-O 3.03Å; P336-Y475 HydrophobicContact CG-CD1 4.3Å; P336-Y475 HydrophobicContact CG-CE1 4.03Å
337	K	87.9	Confident	92.4	Very high	83 Å²	83	40.7 Å²	40.7	36%	0.361	19%	0.187	S	C	.	.			trans	-58.9	124.9	-175.9	-179.2	148.1	-163.7	145.7	0	111.1	L335 R474 D476	L335-K337 PolarHBondContact O-N 2.8Å; K337-R474 HydrophobicContact CB-CB 4.14Å; K337-R474 PolarHBondContact N-O 3.08Å; K337-D476 VanDerWaalsContact CG-OD2 3.27Å; K337-D476 WeakPolarHBondContact CG-OD2 3.37Å; K337-D476 IonicContact NZ-OD1 3.53Å; K337-D476 PolarHBondContact NZ-OD1 2.86Å; K337-D476 VanDerWaalsContact NZ-OD1 3.08Å; K337-D476 IonicContact NZ-OD2 2.68Å
338	R	86.9	Confident	92.5	Very high	55 Å²	55	40.4 Å²	40.4	21%	0.208	19%	0.185	C	C	.	.			trans	-144.4	151.2	-170.2	62.2	177.2	-175.2	-173.1	5	112.3	S316 P336 G404 F408	S316-R338 PolarHBondContact OG-NH2 3.27Å; S316-R338 VanDerWaalsContact OG-NH2 3.13Å; P336-R338 PolarHBondContact O-N 2.71Å; R338-G404 WeakPolarHBondContact CD-O 3.22Å; R338-G404 VanDerWaalsContact NH1-C 3.34Å; R338-G404 VanDerWaalsContact NH1-CA 3.26Å; R338-G404 PolarHBondContact NH1-O 3.44Å; R338-F408 HydrophobicContact CB-CE2 4.39Å; R338-F408 HydrophobicContact CB-CZ 4.29Å
339	M	84.9	Confident	92.4	Very high	112 Å²	112	42.4 Å²	42.4	55%	0.552	20%	0.199	S	C	*	.			trans	-125.7	152.3	174.9	-64.6	-64.9	-68	0	0	110.7	A459	M339-A459 HydrophobicContact CB-CB 4.03Å
340	S	88.1	Confident	92.5	Very high	80 Å²	80	43.3 Å²	43.3	56%	0.559	21%	0.21	S	C	*	.			trans	-78.6	132.1	174.6	51.3	0	0	0	0	112.3	R342	S340-R342 PolarHBondContact O-N 2.79Å
341	V	93.1	Very high	92.5	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.03	22%	0.216	C	C	.	.			trans	-92.3	89.5	-175	-174.2	0	0	0	0	110.3	F84 G343 F344 D345 Q402 Q407 I410 I458	F84-V341 HydrophobicContact CE1-CG1 4.5Å; V341-G343 PolarHBondContact O-N 3.41Å; V341-F344 HydrophobicContact CB-CB 4.21Å; V341-F344 HydrophobicContact CG1-CB 4.2Å; V341-F344 WeakPolarHBondContact O-CA 3.49Å; V341-F344 WeakPolarHBondContact O-CB 3.27Å; V341-F344 PolarHBondContact O-N 3.27Å; V341-D345 PolarHBondContact O-N 3.3Å; V341-Q402 PolarHBondContact O-NE2 2.66Å; V341-Q407 HydrophobicContact CG2-CB 4.2Å; V341-Q407 HydrophobicContact CG2-CG 4.13Å; V341-I410 HydrophobicContact CB-CD1 4.4Å; V341-I410 HydrophobicContact CG1-CD1 4.08Å; V341-I410 HydrophobicContact CG2-CD1 4.3Å; V341-I458 HydrophobicContact CG1-CG2 3.93Å
342	R	92.1	Very high	92.3	Very high	198 Å²	198	45.8 Å²	45.8	75%	0.747	22%	0.222	S	C	*	.	H	α-helix	trans	-55.1	-13.8	179.1	-62.6	-176.6	-179	-177.9	-0.2	115.9	S340 D345 R346	S340-R342 PolarHBondContact O-N 2.79Å; R342-D345 VanDerWaalsContact CA-OD2 3.31Å; R342-D345 WeakPolarHBondContact CA-OD2 3.23Å; R342-R346 PolarHBondContact O-NE 3.12Å
343	G	93.4	Very high	91.9	Very high	18 Å²	18	46.8 Å²	46.8	19%	0.186	23%	0.227	C	C	.	.	H	α-helix	trans	-76.5	-42.9	169.5	0	0	0	0	0	112.4	V341 Y347	V341-G343 PolarHBondContact O-N 3.41Å; G343-Y347 PolarHBondContact O-N 3.45Å; G343-Y347 VanDerWaalsContact O-N 3.15Å
344	F	95.3	Very high	91.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-70.3	-39.3	178.3	-178.8	-98.7	0	0	0	112	H77 E80 A81 F84 V341 R346 Y347 F348 Y400 Q402 V406 I410	H77-F344 HydrophobicContact CB-CE1 4.42Å; H77-F344 HydrophobicContact CB-CZ 4.45Å; H77-F344 VanDerWaalsContact O-CZ 3.23Å; H77-F344 WeakPolarHBondContact O-CZ 3.15Å; E80-F344 HydrophobicContact CB-CE2 4.03Å; E80-F344 HydrophobicContact CB-CZ 4.07Å; A81-F344 HydrophobicContact CB-CD2 4.29Å; A81-F344 HydrophobicContact CB-CE2 3.96Å; A81-F344 HydrophobicContact CB-CZ 4.37Å; F84-F344 HydrophobicContact CB-CD2 3.94Å; F84-F344 HydrophobicContact CB-CE2 4.33Å; F84-F344 HydrophobicContact CD1-CB 4.26Å; F84-F344 HydrophobicContact CD1-CD2 4.02Å; F84-F344 HydrophobicContact CE1-CB 4.19Å; F84-F344 AromaticContact CG-CD2 3.98Å; F84-F344 HydrophobicContact CG-CD2 3.98Å; V341-F344 HydrophobicContact CB-CB 4.21Å; V341-F344 HydrophobicContact CG1-CB 4.2Å; V341-F344 WeakPolarHBondContact O-CA 3.49Å; V341-F344 WeakPolarHBondContact O-CB 3.27Å; V341-F344 PolarHBondContact O-N 3.27Å; F344-R346 VanDerWaalsContact C-N 3.33Å; F344-R346 PolarHBondContact O-N 3.1Å; F344-Y347 HydrophobicContact CD2-CD1 4.02Å; F344-Y347 AromaticContact CE2-CD1 3.91Å; F344-Y347 HydrophobicContact CE2-CD1 3.91Å; F344-Y347 HydrophobicContact CE2-CE1 4.12Å; F344-Y347 CarbonylContact O-C 3.44Å; F344-Y347 WeakPolarHBondContact O-CB 3.16Å; F344-Y347 PolarHBondContact O-N 2.81Å; F344-Y347 VanDerWaalsContact O-N 3.13Å; F344-F348 HydrophobicContact CD1-CB 4.44Å; F344-F348 HydrophobicContact CE1-CB 4.01Å; F344-F348 HydrophobicContact CE1-CD2 4.15Å; F344-F348 HydrophobicContact CE1-CG 4.22Å; F344-F348 HydrophobicContact CE2-CD2 4.41Å; F344-F348 HydrophobicContact CZ-CB 4.08Å; F344-F348 AromaticContact CZ-CD2 3.65Å; F344-F348 HydrophobicContact CZ-CD2 3.65Å; F344-F348 HydrophobicContact CZ-CE2 4.48Å; F344-F348 HydrophobicContact CZ-CG 4.15Å; F344-F348 WeakPolarHBondContact O-CB 3.34Å; F344-F348 PolarHBondContact O-N 3.46Å; F344-Y400 WeakPolarHBondContact CE1-OH 3.46Å; F344-Q402 HydrophobicContact CD1-CG 4.23Å; F344-V406 HydrophobicContact CB-CG1 4.32Å; F344-V406 HydrophobicContact CD1-CG1 3.76Å; F344-V406 HydrophobicContact CD1-CG2 4.48Å; F344-V406 HydrophobicContact CD2-CG1 4.4Å; F344-V406 HydrophobicContact CE1-CG1 4.14Å; F344-V406 HydrophobicContact CE1-CG2 4.09Å; F344-V406 HydrophobicContact CG-CG1 3.88Å; F344-V406 HydrophobicContact CZ-CG2 4.5Å; F344-I410 HydrophobicContact CB-CD1 4.48Å
345	D	93.9	Very high	91.2	Very high	38 Å²	38	55.2 Å²	55.2	20%	0.203	27%	0.272	C	S	.	.	H	α-helix	trans	-56.6	-48.4	179.3	-54.8	-35.5	0	0	0	111.2	V341 R342 F348 S349 Y400 Q402	V341-D345 PolarHBondContact O-N 3.3Å; R342-D345 VanDerWaalsContact CA-OD2 3.31Å; R342-D345 WeakPolarHBondContact CA-OD2 3.23Å; D345-F348 PolarHBondContact O-N 2.94Å; D345-S349 WeakPolarHBondContact O-CB 3.44Å; D345-S349 PolarHBondContact O-N 3.36Å; D345-S349 PolarHBondContact O-OG 3.36Å; D345-Y400 HydrophobicContact CB-CE1 4.3Å; D345-Q402 PolarHBondContact OD1-NE2 3.25Å
346	R	93.9	Very high	91	Very high	189 Å²	189	55.3 Å²	55.3	71%	0.713	27%	0.272	S	S	*	.	H	α-helix	trans	-66.3	-39.3	176.6	-69.5	-177.5	-69.4	157	-1.1	112.5	R342 F344 S350	R342-R346 PolarHBondContact O-NE 3.12Å; F344-R346 VanDerWaalsContact C-N 3.33Å; F344-R346 PolarHBondContact O-N 3.1Å; R346-S350 WeakPolarHBondContact O-CB 3.38Å; R346-S350 PolarHBondContact O-N 2.83Å; R346-S350 PolarHBondContact O-OG 2.83Å
347	Y	94.6	Very high	90.8	Very high	19 Å²	19	63.9 Å²	63.9	8%	0.075	30%	0.304	C	S	.	.	H	α-helix	trans	-57.7	-52.1	172.3	164.2	-80.7	0	0	0	110.6	E80 F84 G343 F344 S350 R351 R358	E80-Y347 HydrophobicContact CB-CE1 4.17Å; E80-Y347 WeakPolarHBondContact OE2-CE1 3.45Å; E80-Y347 PolarHBondContact OE2-OH 2.04Å; F84-Y347 HydrophobicContact CB-CD1 4.22Å; F84-Y347 HydrophobicContact CB-CD2 4.14Å; F84-Y347 HydrophobicContact CB-CE1 4.2Å; F84-Y347 HydrophobicContact CB-CE2 4.01Å; F84-Y347 HydrophobicContact CB-CG 4.24Å; F84-Y347 HydrophobicContact CD2-CD1 4.37Å; F84-Y347 AromaticContact CD2-CD2 3.53Å; F84-Y347 HydrophobicContact CD2-CD2 3.53Å; F84-Y347 HydrophobicContact CD2-CE2 4.2Å; F84-Y347 AromaticContact CD2-CG 3.64Å; F84-Y347 HydrophobicContact CD2-CG 3.64Å; F84-Y347 HydrophobicContact CE2-CD2 4.43Å; F84-Y347 HydrophobicContact CE2-CG 4.41Å; F84-Y347 HydrophobicContact CG-CD2 4.28Å; F84-Y347 HydrophobicContact CG-CG 4.27Å; G343-Y347 PolarHBondContact O-N 3.45Å; G343-Y347 VanDerWaalsContact O-N 3.15Å; F344-Y347 HydrophobicContact CD2-CD1 4.02Å; F344-Y347 AromaticContact CE2-CD1 3.91Å; F344-Y347 HydrophobicContact CE2-CD1 3.91Å; F344-Y347 HydrophobicContact CE2-CE1 4.12Å; F344-Y347 CarbonylContact O-C 3.44Å; F344-Y347 WeakPolarHBondContact O-CB 3.16Å; F344-Y347 PolarHBondContact O-N 2.81Å; F344-Y347 VanDerWaalsContact O-N 3.13Å; Y347-S350 PolarHBondContact O-N 3.36Å; Y347-S350 PolarHBondContact O-OG 3.08Å; Y347-R351 HydrophobicContact CE1-CG 4.29Å; Y347-R358 PolarHBondContact OH-NH2 2.85Å
348	F	94.4	Very high	90.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-71.8	-45.5	-169.6	-167.3	-92.2	0	0	0	111.7	I76 H77 E80 F344 D345 S350 R351 F365 I394 Y400	I76-F348 HydrophobicContact CG2-CE2 4.22Å; I76-F348 HydrophobicContact CG2-CZ 4.36Å; H77-F348 AromaticContact CD2-CE1 3.75Å; H77-F348 AromaticContact CD2-CE2 3.69Å; H77-F348 AromaticContact CD2-CZ 3.26Å; H77-F348 WeakPolarHBondContact CD2-CZ 3.07Å; H77-F348 AromaticContact NE2-CE1 3.61Å; H77-F348 AromaticContact NE2-CZ 3.57Å; E80-F348 HydrophobicContact CB-CD2 4.05Å; E80-F348 HydrophobicContact CB-CE2 4.1Å; E80-F348 HydrophobicContact CG-CD2 4.21Å; E80-F348 HydrophobicContact CG-CE2 3.92Å; F344-F348 HydrophobicContact CD1-CB 4.44Å; F344-F348 HydrophobicContact CE1-CB 4.01Å; F344-F348 HydrophobicContact CE1-CD2 4.15Å; F344-F348 HydrophobicContact CE1-CG 4.22Å; F344-F348 HydrophobicContact CE2-CD2 4.41Å; F344-F348 HydrophobicContact CZ-CB 4.08Å; F344-F348 AromaticContact CZ-CD2 3.65Å; F344-F348 HydrophobicContact CZ-CD2 3.65Å; F344-F348 HydrophobicContact CZ-CE2 4.48Å; F344-F348 HydrophobicContact CZ-CG 4.15Å; F344-F348 WeakPolarHBondContact O-CB 3.34Å; F344-F348 PolarHBondContact O-N 3.46Å; D345-F348 PolarHBondContact O-N 2.94Å; F348-S350 PolarHBondContact O-N 3.17Å; F348-S350 VanDerWaalsContact O-N 3.15Å; F348-R351 WeakPolarHBondContact O-CB 3.08Å; F348-R351 PolarHBondContact O-N 3.34Å; F348-F365 HydrophobicContact CE1-CE1 4.31Å; F348-F365 AromaticContact CE1-CZ 3.97Å; F348-F365 HydrophobicContact CE1-CZ 3.97Å; F348-F365 AromaticContact CZ-CE1 3.93Å; F348-F365 HydrophobicContact CZ-CE1 3.93Å; F348-F365 HydrophobicContact CZ-CE2 4.42Å; F348-F365 AromaticContact CZ-CZ 3.7Å; F348-F365 HydrophobicContact CZ-CZ 3.7Å; F348-I394 HydrophobicContact CD1-CD1 4.31Å; F348-I394 HydrophobicContact CD1-CG2 3.95Å; F348-I394 HydrophobicContact CE1-CD1 3.99Å; F348-I394 HydrophobicContact CE1-CG2 3.91Å; F348-Y400 HydrophobicContact CB-CE2 4.41Å; F348-Y400 AromaticContact CD1-CD2 3.79Å; F348-Y400 HydrophobicContact CD1-CD2 3.79Å; F348-Y400 AromaticContact CD1-CE2 3.22Å; F348-Y400 HydrophobicContact CD1-CE2 3.22Å; F348-Y400 AromaticContact CD1-CZ 3.88Å; F348-Y400 AromaticContact CE1-CD2 3.96Å; F348-Y400 HydrophobicContact CE1-CD2 3.96Å; F348-Y400 AromaticContact CE1-CE2 3.64Å; F348-Y400 HydrophobicContact CE1-CE2 3.64Å; F348-Y400 AromaticContact CG-CE2 3.99Å; F348-Y400 HydrophobicContact CG-CE2 3.99Å
349	S	93	Very high	91.1	Very high	42 Å²	42	60.7 Å²	60.7	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-63	-18.4	174.6	-69.7	0	0	0	0	114	D345 I394	D345-S349 WeakPolarHBondContact O-CB 3.44Å; D345-S349 PolarHBondContact O-N 3.36Å; D345-S349 PolarHBondContact O-OG 3.36Å; S349-I394 PolarHBondContact OG-O 3.05Å
350	S	92.8	Very high	91.5	Very high	61 Å²	61	58.5 Å²	58.5	43%	0.427	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-5.4	174.6	80.4	0	0	0	0	114.8	R346 Y347 F348 N355	R346-S350 WeakPolarHBondContact O-CB 3.38Å; R346-S350 PolarHBondContact O-N 2.83Å; R346-S350 PolarHBondContact O-OG 2.83Å; Y347-S350 PolarHBondContact O-N 3.36Å; Y347-S350 PolarHBondContact O-OG 3.08Å; F348-S350 PolarHBondContact O-N 3.17Å; F348-S350 VanDerWaalsContact O-N 3.15Å; S350-N355 PolarHBondContact O-ND2 2.7Å
351	R	91.9	Very high	91.7	Very high	32 Å²	32	55.8 Å²	55.8	12%	0.121	26%	0.257	C	S	.	.			trans	-80	137.6	-178.6	-65.8	-71.4	161.5	-162.2	-3.5	111.1	Y347 F348 N355 F362 W366	Y347-R351 HydrophobicContact CE1-CG 4.29Å; F348-R351 WeakPolarHBondContact O-CB 3.08Å; F348-R351 PolarHBondContact O-N 3.34Å; R351-N355 PolarHBondContact NH1-O 3.3Å; R351-N355 PolarHBondContact NH1-OD1 3.25Å; R351-N355 VanDerWaalsContact NH1-OD1 3.16Å; R351-F362 HydrophobicContact CB-CE1 4.22Å; R351-F362 HydrophobicContact CB-CE2 4.13Å; R351-F362 HydrophobicContact CB-CZ 3.55Å; R351-W366 WeakPolarHBondContact O-CZ3 3.49Å
352	T	90.9	Very high	91.7	Very high	21 Å²	21	55.6 Å²	55.6	13%	0.129	26%	0.256	C	S	.	.			trans	-137.1	168.9	177.6	64.6	0	0	0	0	108.8	D354 N355 N356 W366	T352-D354 PolarHBondContact O-N 3.35Å; T352-D354 VanDerWaalsContact O-N 3.17Å; T352-N355 PolarHBondContact O-N 3.06Å; T352-N355 WeakPolarHBondContact OG1-CB 3.39Å; T352-N355 PolarHBondContact OG1-N 3.3Å; T352-N356 PolarHBondContact O-N 2.84Å; T352-W366 HydrophobicContact CG2-CH2 4.48Å
353	L	88.4	Confident	91.5	Very high	21 Å²	21	48.2 Å²	48.2	11%	0.11	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21	-179.7	-67.9	168.7	0	0	0	113.6	R357 F362 A363 W366 L374 N390	L353-R357 WeakPolarHBondContact O-CD 3.19Å; L353-R357 PolarHBondContact O-NE 2.75Å; L353-F362 HydrophobicContact CD2-CD1 4.33Å; L353-A363 HydrophobicContact CD2-CB 4.35Å; L353-W366 HydrophobicContact CD1-CB 4.35Å; L353-W366 HydrophobicContact CD1-CD2 4.12Å; L353-W366 HydrophobicContact CD1-CG 3.8Å; L353-W366 HydrophobicContact CD2-CB 3.76Å; L353-W366 HydrophobicContact CD2-CD2 4.22Å; L353-W366 HydrophobicContact CD2-CE3 4.5Å; L353-W366 HydrophobicContact CD2-CG 3.93Å; L353-W366 HydrophobicContact CG-CB 4.26Å; L353-W366 HydrophobicContact CG-CD2 3.84Å; L353-W366 HydrophobicContact CG-CE3 4.25Å; L353-W366 HydrophobicContact CG-CG 3.85Å; L353-L374 HydrophobicContact CD1-CD1 4.11Å; L353-L374 HydrophobicContact CD1-CD2 3.53Å; L353-L374 HydrophobicContact CD1-CG 4.44Å; L353-L374 HydrophobicContact CD2-CD1 4.37Å; L353-N390 PolarHBondContact N-OD1 2.92Å
354	D	86.7	Confident	91.4	Very high	95 Å²	95	51.8 Å²	51.8	51%	0.508	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-37.6	174.4	-61.4	-40.9	0	0	0	112.4	T352 N356 R357 N390	T352-D354 PolarHBondContact O-N 3.35Å; T352-D354 VanDerWaalsContact O-N 3.17Å; D354-N356 VanDerWaalsContact C-N 3.31Å; D354-N356 PolarHBondContact O-N 3.19Å; D354-R357 IonicContact OD1-CZ 2.66Å; D354-R357 IonicContact OD1-NH2 3.5Å; D354-R357 PolarHBondContact OD1-NH2 3.2Å; D354-N390 PolarHBondContact OD2-ND2 2.04Å
355	N	89.1	Confident	91.2	Very high	81 Å²	81	51.8 Å²	51.8	43%	0.433	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-9.1	179.4	-170.4	21.7	0	0	0	113.3	S350 R351 T352	S350-N355 PolarHBondContact O-ND2 2.7Å; R351-N355 PolarHBondContact NH1-O 3.3Å; R351-N355 PolarHBondContact NH1-OD1 3.25Å; R351-N355 VanDerWaalsContact NH1-OD1 3.16Å; T352-N355 PolarHBondContact O-N 3.06Å; T352-N355 WeakPolarHBondContact OG1-CB 3.39Å; T352-N355 PolarHBondContact OG1-N 3.3Å
356	N	89.1	Confident	91.1	Very high	5 Å²	5	50 Å²	50	3%	0.027	24%	0.24	C	C	.	.			trans	-131.1	68.7	178.5	-161.7	4.7	0	0	0	112.8	E80 T352 D354 R358 N359 F362	E80-N356 PolarHBondContact OE1-ND2 3.32Å; T352-N356 PolarHBondContact O-N 2.84Å; D354-N356 VanDerWaalsContact C-N 3.31Å; D354-N356 PolarHBondContact O-N 3.19Å; N356-R358 WeakPolarHBondContact OD1-CG 3.24Å; N356-N359 PolarHBondContact OD1-N 2.99Å; N356-F362 HydrophobicContact CB-CD1 3.78Å; N356-F362 HydrophobicContact CB-CE1 4.01Å; N356-F362 HydrophobicContact CB-CG 4.13Å; N356-F362 WeakPolarHBondContact ND2-CD2 3.29Å; N356-F362 VanDerWaalsContact ND2-CG 3.33Å; N356-F362 WeakPolarHBondContact ND2-CG 3.49Å
357	R	85.9	Confident	90.9	Very high	187 Å²	187	42.7 Å²	42.7	71%	0.706	21%	0.214	S	C	*	.			trans	-83.7	-11.6	172	-62.8	-66.2	174.3	126.4	1.1	113.8	L353 D354	L353-R357 WeakPolarHBondContact O-CD 3.19Å; L353-R357 PolarHBondContact O-NE 2.75Å; D354-R357 IonicContact OD1-CZ 2.66Å; D354-R357 IonicContact OD1-NH2 3.5Å; D354-R357 PolarHBondContact OD1-NH2 3.2Å
358	R	90.7	Very high	90.6	Very high	66 Å²	66	44.4 Å²	44.4	25%	0.249	22%	0.224	C	C	.	.	S	Bend	trans	-78.3	-31.9	-179.3	65	175.1	178	-166.7	-0.8	113.7	I43 I45 L83 D87 Y347 N356	I43-R358 WeakPolarHBondContact CG2-O 2.99Å; I45-R358 HydrophobicContact CD1-CB 3.96Å; I45-R358 HydrophobicContact CD1-CG 4.47Å; L83-R358 HydrophobicContact CD1-CG 4.35Å; D87-R358 IonicContact OD1-CZ 3.16Å; D87-R358 IonicContact OD1-NH1 3.6Å; D87-R358 PolarHBondContact OD1-NH1 3.04Å; D87-R358 IonicContact OD1-NH2 2.8Å; D87-R358 PolarHBondContact OD1-NH2 2.93Å; D87-R358 IonicContact OD2-CZ 3.46Å; D87-R358 IonicContact OD2-NH1 2.71Å; D87-R358 PolarHBondContact OD2-NH1 3.09Å; D87-R358 IonicContact OD2-NH2 3.08Å; D87-R358 PolarHBondContact OD2-NH2 3.23Å; Y347-R358 PolarHBondContact OH-NH2 2.85Å; N356-R358 WeakPolarHBondContact OD1-CG 3.24Å
359	N	91.8	Very high	90.4	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	23%	0.23	C	C	.	.			trans	-92.3	103	176.1	177.9	-0.8	0	0	0	110.4	I43 L79 E80 L83 N356 W361 F362	I43-N359 HydrophobicContact CD1-CB 4.14Å; L79-N359 HydrophobicContact CD2-CB 4.46Å; E80-N359 VanDerWaalsContact OE1-CB 3.28Å; E80-N359 WeakPolarHBondContact OE1-CB 3.41Å; E80-N359 PolarHBondContact OE1-ND2 3.38Å; L83-N359 HydrophobicContact CD1-CB 4.5Å; N356-N359 PolarHBondContact OD1-N 2.99Å; N359-W361 PolarHBondContact O-N 3.21Å; N359-W361 PolarHBondContact OD1-N 3.27Å; N359-F362 HydrophobicContact CB-CB 3.96Å; N359-F362 VanDerWaalsContact O-CB 3.23Å; N359-F362 WeakPolarHBondContact O-CB 3.38Å; N359-F362 PolarHBondContact O-N 2.89Å; N359-F362 PolarHBondContact OD1-N 2.67Å
360	I	91.4	Very high	90.2	Very high	66 Å²	66	44.3 Å²	44.3	34%	0.338	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.8	-178.7	63.9	-177.3	0	0	0	113.5	M40 I43	M40-I360 HydrophobicContact CB-CD1 4.45Å; M40-I360 WeakPolarHBondContact O-CD1 3.37Å; I43-I360 HydrophobicContact CG1-CD1 4.33Å; I43-I360 HydrophobicContact CG1-CG1 3.98Å
361	W	93.1	Very high	90	Very high	24 Å²	24	48.4 Å²	48.4	9%	0.091	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-6.2	178.6	-58.3	-69.7	0	0	0	112.9	I43 V57 H58 I76 L79 D107 N359 A363 E364 F365	I43-W361 HydrophobicContact CD1-CE3 3.7Å; I43-W361 HydrophobicContact CD1-CZ3 3.57Å; I43-W361 HydrophobicContact CG1-CE3 4.11Å; I43-W361 HydrophobicContact CG1-CH2 4.49Å; I43-W361 HydrophobicContact CG1-CZ3 3.74Å; V57-W361 HydrophobicContact CG1-CB 3.92Å; V57-W361 HydrophobicContact CG1-CD2 3.96Å; V57-W361 HydrophobicContact CG1-CE3 4.29Å; V57-W361 HydrophobicContact CG1-CG 3.8Å; V57-W361 HydrophobicContact CG2-CD2 4.47Å; V57-W361 HydrophobicContact CG2-CE3 4.14Å; V57-W361 HydrophobicContact CG2-CZ3 4.3Å; H58-W361 AromaticContact CE1-CD1 3.8Å; H58-W361 AromaticContact CE1-NE1 3.99Å; I76-W361 HydrophobicContact CD1-CB 3.83Å; L79-W361 HydrophobicContact CD1-CE3 3.64Å; L79-W361 HydrophobicContact CD1-CZ3 3.71Å; D107-W361 HydrophobicContact CB-CH2 4.41Å; D107-W361 HydrophobicContact CB-CZ2 4.16Å; N359-W361 PolarHBondContact O-N 3.21Å; N359-W361 PolarHBondContact OD1-N 3.27Å; W361-A363 VanDerWaalsContact C-N 3.26Å; W361-A363 PolarHBondContact O-N 3.41Å; W361-E364 PolarHBondContact O-N 2.68Å; W361-F365 PolarHBondContact O-N 3Å
362	F	92.2	Very high	89.8	Confident	1 Å²	1	46.9 Å²	46.9	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-67.7	-25.8	179.5	-162.7	-102.2	0	0	0	113	I76 R351 L353 N356 N359 F365 W366 I394	I76-F362 HydrophobicContact CG2-CD2 4.45Å; R351-F362 HydrophobicContact CB-CE1 4.22Å; R351-F362 HydrophobicContact CB-CE2 4.13Å; R351-F362 HydrophobicContact CB-CZ 3.55Å; L353-F362 HydrophobicContact CD2-CD1 4.33Å; N356-F362 HydrophobicContact CB-CD1 3.78Å; N356-F362 HydrophobicContact CB-CE1 4.01Å; N356-F362 HydrophobicContact CB-CG 4.13Å; N356-F362 WeakPolarHBondContact ND2-CD2 3.29Å; N356-F362 VanDerWaalsContact ND2-CG 3.33Å; N356-F362 WeakPolarHBondContact ND2-CG 3.49Å; N359-F362 HydrophobicContact CB-CB 3.96Å; N359-F362 VanDerWaalsContact O-CB 3.23Å; N359-F362 WeakPolarHBondContact O-CB 3.38Å; N359-F362 PolarHBondContact O-N 2.89Å; N359-F362 PolarHBondContact OD1-N 2.67Å; F362-F365 AromaticContact CD2-CD1 3.91Å; F362-F365 HydrophobicContact CD2-CD1 3.91Å; F362-F365 AromaticContact CE2-CD1 3.72Å; F362-F365 HydrophobicContact CE2-CD1 3.72Å; F362-F365 AromaticContact CE2-CE1 3.95Å; F362-F365 HydrophobicContact CE2-CE1 3.95Å; F362-F365 HydrophobicContact CZ-CD1 4.22Å; F362-F365 HydrophobicContact CZ-CE1 4.33Å; F362-W366 HydrophobicContact CD1-CE3 4.49Å; F362-W366 AromaticContact CE1-CE3 3.66Å; F362-W366 HydrophobicContact CE1-CE3 3.66Å; F362-W366 AromaticContact CE1-CZ3 3.88Å; F362-W366 HydrophobicContact CE1-CZ3 3.88Å; F362-W366 HydrophobicContact CZ-CE3 4.04Å; F362-W366 HydrophobicContact CZ-CZ3 4.06Å; F362-W366 PolarHBondContact O-N 3.16Å; F362-I394 HydrophobicContact CZ-CD1 4.13Å
363	A	89.7	Confident	89.6	Confident	43 Å²	43	49.6 Å²	49.6	36%	0.355	24%	0.236	S	C	.	.	H	α-helix	trans	-68.7	-41.1	173.4	0	0	0	0	0	112.3	L353 W361 W366 E367 L374	L353-A363 HydrophobicContact CD2-CB 4.35Å; W361-A363 VanDerWaalsContact C-N 3.26Å; W361-A363 PolarHBondContact O-N 3.41Å; A363-W366 PolarHBondContact O-N 3.35Å; A363-E367 PolarHBondContact O-N 3.14Å; A363-L374 HydrophobicContact CB-CD1 4.15Å
364	E	90.6	Very high	89.4	Confident	92 Å²	92	51.6 Å²	51.6	43%	0.43	25%	0.246	S	C	.	.	H	α-helix	trans	-68.2	-42.6	175.7	-174.9	166	-164.4	0	0	111	H58 L70 W361 W366 E367 D368	H58-E364 IonicContact NE2-OE1 3.79Å; H58-E364 IonicContact NE2-OE2 2.68Å; L70-E364 HydrophobicContact CD1-CG 4.46Å; L70-E364 HydrophobicContact CD2-CG 4.33Å; W361-E364 PolarHBondContact O-N 2.68Å; E364-W366 VanDerWaalsContact C-N 3.28Å; E364-W366 PolarHBondContact O-N 2.87Å; E364-E367 PolarHBondContact O-N 3.19Å; E364-D368 PolarHBondContact O-N 3.43Å; E364-D368 VanDerWaalsContact O-N 3.09Å
365	F	92	Very high	88.8	Confident	1 Å²	1	49.6 Å²	49.6	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-53.3	-43.3	169.3	172.5	-104.8	0	0	0	112.5	L70 K72 I76 F348 W361 F362 D368 N369 I394	L70-F365 HydrophobicContact CD2-CB 3.84Å; L70-F365 HydrophobicContact CD2-CD2 4.42Å; K72-F365 HydrophobicContact CB-CD2 4.31Å; K72-F365 HydrophobicContact CB-CE2 3.99Å; K72-F365 HydrophobicContact CG-CD2 4.12Å; K72-F365 HydrophobicContact CG-CE2 4.06Å; I76-F365 HydrophobicContact CB-CD2 4.22Å; I76-F365 HydrophobicContact CD1-CB 4.49Å; I76-F365 HydrophobicContact CG1-CB 4.18Å; I76-F365 HydrophobicContact CG1-CD2 4.18Å; I76-F365 HydrophobicContact CG1-CG 4.38Å; I76-F365 HydrophobicContact CG2-CB 4.46Å; I76-F365 HydrophobicContact CG2-CD1 4.43Å; I76-F365 HydrophobicContact CG2-CD2 4.13Å; I76-F365 HydrophobicContact CG2-CG 4.07Å; F348-F365 HydrophobicContact CE1-CE1 4.31Å; F348-F365 AromaticContact CE1-CZ 3.97Å; F348-F365 HydrophobicContact CE1-CZ 3.97Å; F348-F365 AromaticContact CZ-CE1 3.93Å; F348-F365 HydrophobicContact CZ-CE1 3.93Å; F348-F365 HydrophobicContact CZ-CE2 4.42Å; F348-F365 AromaticContact CZ-CZ 3.7Å; F348-F365 HydrophobicContact CZ-CZ 3.7Å; W361-F365 PolarHBondContact O-N 3Å; F362-F365 AromaticContact CD2-CD1 3.91Å; F362-F365 HydrophobicContact CD2-CD1 3.91Å; F362-F365 AromaticContact CE2-CD1 3.72Å; F362-F365 HydrophobicContact CE2-CD1 3.72Å; F362-F365 AromaticContact CE2-CE1 3.95Å; F362-F365 HydrophobicContact CE2-CE1 3.95Å; F362-F365 HydrophobicContact CZ-CD1 4.22Å; F362-F365 HydrophobicContact CZ-CE1 4.33Å; F365-D368 PolarHBondContact O-N 3.18Å; F365-N369 HydrophobicContact CD2-CB 4.46Å; F365-N369 HydrophobicContact CE1-CB 4.34Å; F365-N369 HydrophobicContact CE2-CB 4.12Å; F365-N369 HydrophobicContact CZ-CB 4.05Å; F365-N369 WeakPolarHBondContact O-CB 3.41Å; F365-N369 PolarHBondContact O-N 3.37Å; F365-I394 HydrophobicContact CE1-CD1 3.94Å
366	W	91.2	Very high	87.4	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.3	-40	-179.6	-158	-83.9	0	0	0	113.1	R351 T352 L353 F362 A363 E364 F370 E392 I394	R351-W366 WeakPolarHBondContact O-CZ3 3.49Å; T352-W366 HydrophobicContact CG2-CH2 4.48Å; L353-W366 HydrophobicContact CD1-CB 4.35Å; L353-W366 HydrophobicContact CD1-CD2 4.12Å; L353-W366 HydrophobicContact CD1-CG 3.8Å; L353-W366 HydrophobicContact CD2-CB 3.76Å; L353-W366 HydrophobicContact CD2-CD2 4.22Å; L353-W366 HydrophobicContact CD2-CE3 4.5Å; L353-W366 HydrophobicContact CD2-CG 3.93Å; L353-W366 HydrophobicContact CG-CB 4.26Å; L353-W366 HydrophobicContact CG-CD2 3.84Å; L353-W366 HydrophobicContact CG-CE3 4.25Å; L353-W366 HydrophobicContact CG-CG 3.85Å; F362-W366 HydrophobicContact CD1-CE3 4.49Å; F362-W366 AromaticContact CE1-CE3 3.66Å; F362-W366 HydrophobicContact CE1-CE3 3.66Å; F362-W366 AromaticContact CE1-CZ3 3.88Å; F362-W366 HydrophobicContact CE1-CZ3 3.88Å; F362-W366 HydrophobicContact CZ-CE3 4.04Å; F362-W366 HydrophobicContact CZ-CZ3 4.06Å; F362-W366 PolarHBondContact O-N 3.16Å; A363-W366 PolarHBondContact O-N 3.35Å; E364-W366 VanDerWaalsContact C-N 3.28Å; E364-W366 PolarHBondContact O-N 2.87Å; W366-F370 AromaticContact CD1-CD2 3.76Å; W366-F370 AromaticContact CD2-CD2 3.81Å; W366-F370 HydrophobicContact CD2-CD2 3.81Å; W366-F370 AromaticContact CD2-CE2 3.61Å; W366-F370 HydrophobicContact CD2-CE2 3.61Å; W366-F370 AromaticContact CE2-CD2 3.64Å; W366-F370 AromaticContact CE2-CE2 3.46Å; W366-F370 VanDerWaalsContact CE2-CE2 3.46Å; W366-F370 HydrophobicContact CE3-CD2 4.46Å; W366-F370 AromaticContact CE3-CE2 3.84Å; W366-F370 HydrophobicContact CE3-CE2 3.84Å; W366-F370 AromaticContact CG-CD2 3.93Å; W366-F370 HydrophobicContact CG-CD2 3.93Å; W366-F370 HydrophobicContact CG-CE2 4.21Å; W366-F370 AromaticContact CH2-CE2 3.84Å; W366-F370 HydrophobicContact CH2-CE2 3.84Å; W366-F370 HydrophobicContact CH2-CZ 4.36Å; W366-F370 HydrophobicContact CZ2-CD2 4.19Å; W366-F370 AromaticContact CZ2-CE2 3.62Å; W366-F370 HydrophobicContact CZ2-CE2 3.62Å; W366-F370 HydrophobicContact CZ2-CZ 4.31Å; W366-F370 AromaticContact CZ3-CE2 3.94Å; W366-F370 HydrophobicContact CZ3-CE2 3.94Å; W366-F370 AromaticContact NE1-CD2 3.59Å; W366-F370 AromaticContact NE1-CE2 3.93Å; W366-F370 PolarHBondContact O-N 3.14Å; W366-E392 WeakPolarHBondContact CH2-O 3.34Å; W366-E392 HydrophobicContact CZ2-CB 3.94Å; W366-E392 VanDerWaalsContact CZ2-O 3.23Å; W366-E392 WeakPolarHBondContact CZ2-O 3.25Å; W366-E392 PolarHBondContact NE1-OE2 3.36Å; W366-I394 HydrophobicContact CZ3-CD1 4.03Å; W366-I394 HydrophobicContact CZ3-CG1 4.23Å
367	E	89.3	Confident	85.9	Confident	35 Å²	35	64.5 Å²	64.5	16%	0.164	30%	0.297	C	S	.	.	H	α-helix	trans	-62.7	-43.5	175.9	-70.7	-161.2	149.1	0	0	112	A363 E364 H371 C372 K373 L374	A363-E367 PolarHBondContact O-N 3.14Å; E364-E367 PolarHBondContact O-N 3.19Å; E367-H371 CarbonylContact O-C 3.54Å; E367-H371 VanDerWaalsContact O-CA 3.3Å; E367-H371 WeakPolarHBondContact O-CA 3.47Å; E367-H371 PolarHBondContact O-N 3.26Å; E367-H371 VanDerWaalsContact O-N 3.15Å; E367-C372 CarbonylContact C-O 3.48Å; E367-C372 WeakPolarHBondContact CA-O 3.48Å; E367-C372 WeakPolarHBondContact CB-O 3.29Å; E367-C372 WeakPolarHBondContact CG-O 3.36Å; E367-C372 PolarHBondContact O-N 2.89Å; E367-K373 HydrophobicContact CB-CD 4.27Å; E367-K373 HydrophobicContact CG-CD 4.13Å; E367-K373 WeakPolarHBondContact OE1-CA 3.03Å; E367-K373 VanDerWaalsContact OE1-CD 3.32Å; E367-K373 WeakPolarHBondContact OE1-CD 3.37Å; E367-K373 WeakPolarHBondContact OE2-CD 3.43Å; E367-K373 WeakPolarHBondContact OE2-CE 3.44Å; E367-K373 IonicContact OE2-NZ 3.52Å; E367-K373 PolarHBondContact OE2-NZ 2.77Å; E367-L374 HydrophobicContact CG-CB 4.41Å; E367-L374 HydrophobicContact CG-CD1 3.91Å; E367-L374 HydrophobicContact CG-CG 3.95Å; E367-L374 WeakPolarHBondContact OE1-CB 3.39Å; E367-L374 PolarHBondContact OE1-N 3.09Å
368	D	88.3	Confident	84.5	Confident	55 Å²	55	58 Å²	58	29%	0.294	28%	0.284	S	S	.	.	H	α-helix	trans	-76.6	-38.6	-179.5	177.7	20.2	0	0	0	112.6	K72 E364 F365 H371	K72-D368 WeakPolarHBondContact CE-OD1 3.45Å; K72-D368 WeakPolarHBondContact CE-OD2 3.22Å; K72-D368 PolarHBondContact NZ-O 2.88Å; K72-D368 IonicContact NZ-OD1 3.12Å; K72-D368 PolarHBondContact NZ-OD1 3.21Å; K72-D368 IonicContact NZ-OD2 3.89Å; E364-D368 PolarHBondContact O-N 3.43Å; E364-D368 VanDerWaalsContact O-N 3.09Å; F365-D368 PolarHBondContact O-N 3.18Å; D368-H371 PolarHBondContact O-CE1 2.87Å; D368-H371 PolarHBondContact O-ND1 2.77Å
369	N	89.6	Confident	83	Confident	25 Å²	25	57.8 Å²	57.8	13%	0.134	29%	0.287	C	S	.	.	H	α-helix	trans	-68.1	-38.3	-179.5	-173.1	70.9	0	0	0	113.4	F365 S398	F365-N369 HydrophobicContact CD2-CB 4.46Å; F365-N369 HydrophobicContact CE1-CB 4.34Å; F365-N369 HydrophobicContact CE2-CB 4.12Å; F365-N369 HydrophobicContact CZ-CB 4.05Å; F365-N369 WeakPolarHBondContact O-CB 3.41Å; F365-N369 PolarHBondContact O-N 3.37Å; N369-S398 VanDerWaalsContact ND2-CB 3.28Å; N369-S398 WeakPolarHBondContact ND2-CB 3.43Å; N369-S398 PolarHBondContact ND2-OG 3.04Å
370	F	89.9	Confident	81.4	Confident	16 Å²	16	65.6 Å²	65.6	7%	0.07	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	12.1	-179.4	-60.4	-70.8	0	0	0	113.7	W366 C372 E392 I394 D397	W366-F370 AromaticContact CD1-CD2 3.76Å; W366-F370 AromaticContact CD2-CD2 3.81Å; W366-F370 HydrophobicContact CD2-CD2 3.81Å; W366-F370 AromaticContact CD2-CE2 3.61Å; W366-F370 HydrophobicContact CD2-CE2 3.61Å; W366-F370 AromaticContact CE2-CD2 3.64Å; W366-F370 AromaticContact CE2-CE2 3.46Å; W366-F370 VanDerWaalsContact CE2-CE2 3.46Å; W366-F370 HydrophobicContact CE3-CD2 4.46Å; W366-F370 AromaticContact CE3-CE2 3.84Å; W366-F370 HydrophobicContact CE3-CE2 3.84Å; W366-F370 AromaticContact CG-CD2 3.93Å; W366-F370 HydrophobicContact CG-CD2 3.93Å; W366-F370 HydrophobicContact CG-CE2 4.21Å; W366-F370 AromaticContact CH2-CE2 3.84Å; W366-F370 HydrophobicContact CH2-CE2 3.84Å; W366-F370 HydrophobicContact CH2-CZ 4.36Å; W366-F370 HydrophobicContact CZ2-CD2 4.19Å; W366-F370 AromaticContact CZ2-CE2 3.62Å; W366-F370 HydrophobicContact CZ2-CE2 3.62Å; W366-F370 HydrophobicContact CZ2-CZ 4.31Å; W366-F370 AromaticContact CZ3-CE2 3.94Å; W366-F370 HydrophobicContact CZ3-CE2 3.94Å; W366-F370 AromaticContact NE1-CD2 3.59Å; W366-F370 AromaticContact NE1-CE2 3.93Å; W366-F370 PolarHBondContact O-N 3.14Å; F370-C372 PolarHBondContact O-N 3.46Å; F370-E392 HydrophobicContact CB-CG 4.4Å; F370-E392 HydrophobicContact CD1-CB 3.84Å; F370-E392 HydrophobicContact CD1-CG 4.24Å; F370-E392 HydrophobicContact CD2-CB 4.04Å; F370-E392 HydrophobicContact CE1-CB 3.83Å; F370-E392 HydrophobicContact CE2-CB 4.04Å; F370-E392 HydrophobicContact CG-CB 3.93Å; F370-E392 HydrophobicContact CG-CG 4.15Å; F370-E392 HydrophobicContact CZ-CB 3.93Å; F370-I394 HydrophobicContact CE2-CG1 4.23Å; F370-I394 HydrophobicContact CZ-CG1 3.84Å; F370-D397 HydrophobicContact CD1-CB 4.08Å; F370-D397 HydrophobicContact CE1-CB 3.76Å
371	H	88.4	Confident	79.3	Confident	146 Å²	146	73 Å²	73	68%	0.676	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.1	47	-178.9	-59.6	-57.1	0	0	0	113.4	E367 D368	E367-H371 CarbonylContact O-C 3.54Å; E367-H371 VanDerWaalsContact O-CA 3.3Å; E367-H371 WeakPolarHBondContact O-CA 3.47Å; E367-H371 PolarHBondContact O-N 3.26Å; E367-H371 VanDerWaalsContact O-N 3.15Å; D368-H371 PolarHBondContact O-CE1 2.87Å; D368-H371 PolarHBondContact O-ND1 2.77Å
372	C	88	Confident	77.6	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.007	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	167.7	-174	68.2	0	0	0	0	111.3	E367 F370 K386 C388	E367-C372 CarbonylContact C-O 3.48Å; E367-C372 WeakPolarHBondContact CA-O 3.48Å; E367-C372 WeakPolarHBondContact CB-O 3.29Å; E367-C372 WeakPolarHBondContact CG-O 3.36Å; E367-C372 PolarHBondContact O-N 2.89Å; F370-C372 PolarHBondContact O-N 3.46Å; C372-K386 CarbonylContact C-O 3.53Å; C372-K386 WeakPolarHBondContact CA-O 3.26Å; C372-K386 HydrophobicContact CB-CB 4.22Å; C372-K386 HydrophobicContact CB-CD 4.43Å; C372-K386 HydrophobicContact CB-CG 4.22Å; C372-K386 VanDerWaalsContact CB-O 3.31Å; C372-K386 WeakPolarHBondContact CB-O 3.48Å; C372-C388 HydrophobicContact CB-CB 4.02Å; C372-C388 WeakPolarHBondContact CB-SG 3.35Å; C372-C388 VanDerWaalsContact SG-CA 3.51Å; C372-C388 WeakPolarHBondContact SG-CB 3.34Å; C372-C388 CovalentContact SG-SG 2.04Å; C372-C388 PolarHBondContact SG-SG 3.38Å
373	K	86.4	Confident	76	Confident	78 Å²	78	78.2 Å²	78.2	34%	0.339	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	140.3	174.1	-67.3	-60	-178.4	-163.6	0	113.4	E367 A378 L379 V385 K386 K387 C388	E367-K373 HydrophobicContact CB-CD 4.27Å; E367-K373 HydrophobicContact CG-CD 4.13Å; E367-K373 WeakPolarHBondContact OE1-CA 3.03Å; E367-K373 VanDerWaalsContact OE1-CD 3.32Å; E367-K373 WeakPolarHBondContact OE1-CD 3.37Å; E367-K373 WeakPolarHBondContact OE2-CD 3.43Å; E367-K373 WeakPolarHBondContact OE2-CE 3.44Å; E367-K373 IonicContact OE2-NZ 3.52Å; E367-K373 PolarHBondContact OE2-NZ 2.77Å; K373-A378 HydrophobicContact CB-CB 4.43Å; K373-A378 HydrophobicContact CG-CB 4.46Å; K373-L379 HydrophobicContact CB-CD1 3.9Å; K373-V385 HydrophobicContact CB-CG1 4.2Å; K373-V385 HydrophobicContact CG-CG1 3.75Å; K373-K386 PolarHBondContact N-O 3.37Å; K373-K387 WeakPolarHBondContact O-CA 3.03Å; K373-C388 VanDerWaalsContact C-SG 3.57Å; K373-C388 PolarHBondContact N-SG 3.3Å; K373-C388 VanDerWaalsContact N-SG 3.45Å; K373-C388 PolarHBondContact O-N 3.37Å
374	L	83.3	Confident	74.8	Confident	62 Å²	62	85.8 Å²	85.8	33%	0.325	43%	0.431	S	S	.	.			trans	-89.9	-39.9	177.7	-68.7	166.5	0	0	0	111.3	L353 A363 E367 R376 C388	L353-L374 HydrophobicContact CD1-CD1 4.11Å; L353-L374 HydrophobicContact CD1-CD2 3.53Å; L353-L374 HydrophobicContact CD1-CG 4.44Å; L353-L374 HydrophobicContact CD2-CD1 4.37Å; A363-L374 HydrophobicContact CB-CD1 4.15Å; E367-L374 HydrophobicContact CG-CB 4.41Å; E367-L374 HydrophobicContact CG-CD1 3.91Å; E367-L374 HydrophobicContact CG-CG 3.95Å; E367-L374 WeakPolarHBondContact OE1-CB 3.39Å; E367-L374 PolarHBondContact OE1-N 3.09Å; L374-R376 PolarHBondContact O-N 2.67Å; L374-C388 HydrophobicContact CD2-CB 3.62Å; L374-C388 HydrophobicContact CG-CB 4.17Å
375	S	74.6	Confident	73.8	Confident	54 Å²	54	84.7 Å²	84.7	38%	0.378	43%	0.43	S	S	.	.			trans	-73.1	123	-175.7	-179.2	0	0	0	0	113.1	H377 A378 L379	S375-H377 PolarHBondContact O-N 3.24Å; S375-H377 PolarHBondContact OG-N 3.01Å; S375-A378 PolarHBondContact O-N 2.64Å; S375-A378 VanDerWaalsContact O-N 3.11Å; S375-L379 WeakPolarHBondContact O-CD1 3.48Å
376	R	60.8	Low	73.4	Confident	220 Å²	220	89.9 Å²	89.9	83%	0.83	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.7	172.8	-66.1	-179	78	172.1	4	113.1	L374	L374-R376 PolarHBondContact O-N 2.67Å
377	H	57.4	Low	73.1	Confident	178 Å²	178	95.7 Å²	95.7	82%	0.824	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-20.3	177.5	-64.5	-77.4	0	0	0	113.2	S375	S375-H377 PolarHBondContact O-N 3.24Å; S375-H377 PolarHBondContact OG-N 3.01Å
378	A	55.4	Low	72.9	Confident	51 Å²	51	94.4 Å²	94.4	42%	0.421	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-29	174.4	0	0	0	0	0	112.3	K373 S375 K380	K373-A378 HydrophobicContact CB-CB 4.43Å; K373-A378 HydrophobicContact CG-CB 4.46Å; S375-A378 PolarHBondContact O-N 2.64Å; S375-A378 VanDerWaalsContact O-N 3.11Å; A378-K380 VanDerWaalsContact C-N 3.31Å; A378-K380 PolarHBondContact O-N 2.9Å
379	L	60.5	Low	72.6	Confident	62 Å²	62	95.7 Å²	95.7	33%	0.325	48%	0.483	S	S	.	.			trans	-77.1	77.2	174.6	-80.2	82.2	0	0	0	111.4	K373 S375 K381 K387	K373-L379 HydrophobicContact CB-CD1 3.9Å; S375-L379 WeakPolarHBondContact O-CD1 3.48Å; L379-K381 PolarHBondContact O-N 2.8Å; L379-K387 HydrophobicContact CD2-CB 3.94Å; L379-K387 HydrophobicContact CD2-CG 4.28Å
380	K	58.2	Low	72.2	Confident	168 Å²	168	96.5 Å²	96.5	73%	0.73	49%	0.487	S	S	*	.			trans	-61.2	132.1	161.3	-71.9	-174.2	177.2	-179	0	109.3	A378 G382 S383	A378-K380 VanDerWaalsContact C-N 3.31Å; A378-K380 PolarHBondContact O-N 2.9Å; K380-G382 PolarHBondContact O-N 3.04Å; K380-G382 VanDerWaalsContact O-N 3.1Å; K380-S383 PolarHBondContact O-N 2.91Å; K380-S383 VanDerWaalsContact O-N 3.15Å; K380-S383 PolarHBondContact O-OG 3.02Å
381	K	46.3	Very low	72	Confident	221 Å²	221	105.6 Å²	105.6	96%	0.961	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	118.8	170	-100.5	-172.7	172.6	-175.8	0	108.9	L379	L379-K381 PolarHBondContact O-N 2.8Å
382	G	56.9	Low	72	Confident	77 Å²	77	98.8 Å²	98.8	79%	0.794	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	108	-5.5	179.8	0	0	0	0	0	116.1	K380	K380-G382 PolarHBondContact O-N 3.04Å; K380-G382 VanDerWaalsContact O-N 3.1Å
383	S	59.6	Low	72.1	Confident	57 Å²	57	103.1 Å²	103.1	40%	0.399	51%	0.505	S	S	.	.			trans	-84.5	138.9	167.5	74.6	0	0	0	0	111.3	K380 V385	K380-S383 PolarHBondContact O-N 2.91Å; K380-S383 VanDerWaalsContact O-N 3.15Å; K380-S383 PolarHBondContact O-OG 3.02Å; S383-V385 PolarHBondContact O-N 3.05Å
384	H	64.1	Low	72.3	Confident	203 Å²	203	99.7 Å²	99.7	94%	0.94	49%	0.491	S	S	*	.			trans	-75.6	20.7	177.3	-75.7	-96.3	0	0	0	113.7
385	V	70.6	Confident	72.4	Confident	69 Å²	69	98.8 Å²	98.8	42%	0.418	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-83.9	122	-171.7	-179.6	0	0	0	0	110.9	K373 S383 K387	K373-V385 HydrophobicContact CB-CG1 4.2Å; K373-V385 HydrophobicContact CG-CG1 3.75Å; S383-V385 PolarHBondContact O-N 3.05Å; V385-K387 PolarHBondContact O-N 3.36Å
386	K	82.5	Confident	73	Confident	110 Å²	110	104 Å²	104	48%	0.478	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	132.8	176.8	-177.4	-179.4	174.4	-171	0	110.6	C372 K373	C372-K386 CarbonylContact C-O 3.53Å; C372-K386 WeakPolarHBondContact CA-O 3.26Å; C372-K386 HydrophobicContact CB-CB 4.22Å; C372-K386 HydrophobicContact CB-CD 4.43Å; C372-K386 HydrophobicContact CB-CG 4.22Å; C372-K386 VanDerWaalsContact CB-O 3.31Å; C372-K386 WeakPolarHBondContact CB-O 3.48Å; K373-K386 PolarHBondContact N-O 3.37Å
387	K	84.1	Confident	74.2	Confident	122 Å²	122	98.2 Å²	98.2	53%	0.53	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	132.6	166.4	-166.2	-160.5	168.5	-164	0	109.2	K373 L379 V385	K373-K387 WeakPolarHBondContact O-CA 3.03Å; L379-K387 HydrophobicContact CD2-CB 3.94Å; L379-K387 HydrophobicContact CD2-CG 4.28Å; V385-K387 PolarHBondContact O-N 3.36Å
388	C	85.3	Confident	75.5	Confident	7 Å²	7	90.5 Å²	90.5	5%	0.047	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-64.9	141.3	171.1	-49.6	0	0	0	0	110.3	C372 K373 L374	C372-C388 HydrophobicContact CB-CB 4.02Å; C372-C388 WeakPolarHBondContact CB-SG 3.35Å; C372-C388 VanDerWaalsContact SG-CA 3.51Å; C372-C388 WeakPolarHBondContact SG-CB 3.34Å; C372-C388 CovalentContact SG-SG 2.04Å; C372-C388 PolarHBondContact SG-SG 3.38Å; K373-C388 VanDerWaalsContact C-SG 3.57Å; K373-C388 PolarHBondContact N-SG 3.3Å; K373-C388 VanDerWaalsContact N-SG 3.45Å; K373-C388 PolarHBondContact O-N 3.37Å; L374-C388 HydrophobicContact CD2-CB 3.62Å; L374-C388 HydrophobicContact CG-CB 4.17Å
389	T	82.1	Confident	76.9	Confident	83 Å²	83	92.7 Å²	92.7	51%	0.509	48%	0.484	S	S	.	.			trans	-112.3	-9.7	-176.1	66.2	0	0	0	0	114	R391 E392	T389-R391 PolarHBondContact O-N 3.48Å; T389-R391 VanDerWaalsContact O-N 3.13Å; T389-R391 PolarHBondContact OG1-N 3.27Å; T389-E392 WeakPolarHBondContact CB-OE1 3.33Å; T389-E392 PolarHBondContact N-OE1 2.8Å; T389-E392 PolarHBondContact N-OE2 2.94Å; T389-E392 VanDerWaalsContact OG1-CD 3.26Å; T389-E392 PolarHBondContact OG1-OE1 3.34Å; T389-E392 PolarHBondContact OG1-OE2 2.79Å
390	N	81.5	Confident	78.2	Confident	41 Å²	41	92.4 Å²	92.4	22%	0.219	48%	0.479	C	S	.	.	S	Bend	trans	61.3	8.9	-172.8	-170	42.4	0	0	0	113.6	L353 D354 E392 R393	L353-N390 PolarHBondContact N-OD1 2.92Å; D354-N390 PolarHBondContact OD2-ND2 2.04Å; N390-E392 WeakPolarHBondContact CA-OE2 3.4Å; N390-E392 PolarHBondContact N-OE2 2.8Å; N390-R393 PolarHBondContact O-NH1 3.42Å
391	R	85.3	Confident	79.5	Confident	207 Å²	207	91.5 Å²	91.5	78%	0.781	48%	0.478	S	S	*	.			trans	-87.4	-16.2	166.8	-63.3	-175.8	174.6	-170.9	-3.4	112.1	T389 R393	T389-R391 PolarHBondContact O-N 3.48Å; T389-R391 VanDerWaalsContact O-N 3.13Å; T389-R391 PolarHBondContact OG1-N 3.27Å; R391-R393 PolarHBondContact O-NH1 2.87Å
392	E	88.7	Confident	81.6	Confident	4 Å²	4	82.1 Å²	82.1	2%	0.019	44%	0.437	C	S	.	.			trans	-61.6	146.4	178.7	-55.6	80.9	-165.9	0	0	111.4	W366 F370 T389 N390 D397	W366-E392 WeakPolarHBondContact CH2-O 3.34Å; W366-E392 HydrophobicContact CZ2-CB 3.94Å; W366-E392 VanDerWaalsContact CZ2-O 3.23Å; W366-E392 WeakPolarHBondContact CZ2-O 3.25Å; W366-E392 PolarHBondContact NE1-OE2 3.36Å; F370-E392 HydrophobicContact CB-CG 4.4Å; F370-E392 HydrophobicContact CD1-CB 3.84Å; F370-E392 HydrophobicContact CD1-CG 4.24Å; F370-E392 HydrophobicContact CD2-CB 4.04Å; F370-E392 HydrophobicContact CE1-CB 3.83Å; F370-E392 HydrophobicContact CE2-CB 4.04Å; F370-E392 HydrophobicContact CG-CB 3.93Å; F370-E392 HydrophobicContact CG-CG 4.15Å; F370-E392 HydrophobicContact CZ-CB 3.93Å; T389-E392 WeakPolarHBondContact CB-OE1 3.33Å; T389-E392 PolarHBondContact N-OE1 2.8Å; T389-E392 PolarHBondContact N-OE2 2.94Å; T389-E392 VanDerWaalsContact OG1-CD 3.26Å; T389-E392 PolarHBondContact OG1-OE1 3.34Å; T389-E392 PolarHBondContact OG1-OE2 2.79Å; N390-E392 WeakPolarHBondContact CA-OE2 3.4Å; N390-E392 PolarHBondContact N-OE2 2.8Å; E392-D397 VanDerWaalsContact CA-OD2 3.29Å; E392-D397 WeakPolarHBondContact CA-OD2 3.34Å; E392-D397 HydrophobicContact CB-CB 4.34Å
393	R	90.1	Very high	83.1	Confident	92 Å²	92	79 Å²	79	35%	0.347	40%	0.402	S	S	.	.			trans	-132	130.7	-177.9	-64.4	-63.1	175.7	-100.3	4.4	112.4	N390 R391 G395 Q396 D397	N390-R393 PolarHBondContact O-NH1 3.42Å; R391-R393 PolarHBondContact O-NH1 2.87Å; R393-G395 PolarHBondContact O-N 2.79Å; R393-Q396 HydrophobicContact CB-CB 4.08Å; R393-Q396 HydrophobicContact CB-CG 4.43Å; R393-Q396 PolarHBondContact O-N 2.83Å; R393-Q396 VanDerWaalsContact O-N 3.11Å; R393-D397 PolarHBondContact N-OD2 2.69Å; R393-D397 PolarHBondContact O-N 2.9Å
394	I	90.6	Very high	84.3	Confident	6 Å²	6	77 Å²	77	3%	0.031	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-69.8	125.7	-179.2	-60	165.9	0	0	0	109.2	F348 S349 F362 F365 W366 F370 Y400	F348-I394 HydrophobicContact CD1-CD1 4.31Å; F348-I394 HydrophobicContact CD1-CG2 3.95Å; F348-I394 HydrophobicContact CE1-CD1 3.99Å; F348-I394 HydrophobicContact CE1-CG2 3.91Å; S349-I394 PolarHBondContact OG-O 3.05Å; F362-I394 HydrophobicContact CZ-CD1 4.13Å; F365-I394 HydrophobicContact CE1-CD1 3.94Å; W366-I394 HydrophobicContact CZ3-CD1 4.03Å; W366-I394 HydrophobicContact CZ3-CG1 4.23Å; F370-I394 HydrophobicContact CE2-CG1 4.23Å; F370-I394 HydrophobicContact CZ-CG1 3.84Å; I394-Y400 HydrophobicContact CG2-CD2 3.92Å; I394-Y400 HydrophobicContact CG2-CG 4.15Å
395	G	86.4	Confident	85.6	Confident	43 Å²	43	68.3 Å²	68.3	44%	0.443	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	0.3	-173.3	0	0	0	0	0	114.5	R393 S398	R393-G395 PolarHBondContact O-N 2.79Å; G395-S398 CarbonylContact C-O 3.18Å; G395-S398 WeakPolarHBondContact CA-O 3.08Å; G395-S398 PolarHBondContact N-O 3.27Å
396	Q	86.8	Confident	86.7	Confident	163 Å²	163	65 Å²	65	76%	0.762	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	-58	172.3	-65	-179.6	-19.5	0	0	111	R393	R393-Q396 HydrophobicContact CB-CB 4.08Å; R393-Q396 HydrophobicContact CB-CG 4.43Å; R393-Q396 PolarHBondContact O-N 2.83Å; R393-Q396 VanDerWaalsContact O-N 3.11Å
397	D	85.2	Confident	87.2	Confident	98 Å²	98	60 Å²	60	52%	0.524	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-7	175.6	-62	-76.1	0	0	0	113.1	F370 E392 R393	F370-D397 HydrophobicContact CD1-CB 4.08Å; F370-D397 HydrophobicContact CE1-CB 3.76Å; E392-D397 VanDerWaalsContact CA-OD2 3.29Å; E392-D397 WeakPolarHBondContact CA-OD2 3.34Å; E392-D397 HydrophobicContact CB-CB 4.34Å; R393-D397 PolarHBondContact N-OD2 2.69Å; R393-D397 PolarHBondContact O-N 2.9Å
398	S	86	Confident	87.7	Confident	17 Å²	17	54.9 Å²	54.9	12%	0.119	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-139.6	151.2	170.5	76	0	0	0	0	109.9	N369 G395	N369-S398 VanDerWaalsContact ND2-CB 3.28Å; N369-S398 WeakPolarHBondContact ND2-CB 3.43Å; N369-S398 PolarHBondContact ND2-OG 3.04Å; G395-S398 CarbonylContact C-O 3.18Å; G395-S398 WeakPolarHBondContact CA-O 3.08Å; G395-S398 PolarHBondContact N-O 3.27Å
399	A	84.3	Confident	88.3	Confident	96 Å²	96	54.5 Å²	54.5	79%	0.793	28%	0.284	S	S	*	.			trans	-58.5	151.1	164.2	0	0	0	0	0	110.5
400	Y	88	Confident	89	Confident	56 Å²	56	50.6 Å²	50.6	22%	0.22	26%	0.259	C	S	.	.			trans	-145.3	121.3	173	174.4	-105.3	0	0	0	109.7	H77 F344 D345 F348 I394	H77-Y400 AromaticContact CE1-CE2 3.68Å; H77-Y400 AromaticContact NE2-CE2 3.92Å; F344-Y400 WeakPolarHBondContact CE1-OH 3.46Å; D345-Y400 HydrophobicContact CB-CE1 4.3Å; F348-Y400 HydrophobicContact CB-CE2 4.41Å; F348-Y400 AromaticContact CD1-CD2 3.79Å; F348-Y400 HydrophobicContact CD1-CD2 3.79Å; F348-Y400 AromaticContact CD1-CE2 3.22Å; F348-Y400 HydrophobicContact CD1-CE2 3.22Å; F348-Y400 AromaticContact CD1-CZ 3.88Å; F348-Y400 AromaticContact CE1-CD2 3.96Å; F348-Y400 HydrophobicContact CE1-CD2 3.96Å; F348-Y400 AromaticContact CE1-CE2 3.64Å; F348-Y400 HydrophobicContact CE1-CE2 3.64Å; F348-Y400 AromaticContact CG-CE2 3.99Å; F348-Y400 HydrophobicContact CG-CE2 3.99Å; I394-Y400 HydrophobicContact CG2-CD2 3.92Å; I394-Y400 HydrophobicContact CG2-CG 4.15Å
401	E	86.2	Confident	89.7	Confident	149 Å²	149	48.9 Å²	48.9	70%	0.696	25%	0.25	S	S	*	.			trans	-124.4	138.8	166.5	-168	-179.1	153.3	0	0	108.1	H77 E403	H77-E401 PolarHBondContact CE1-O 3.11Å; H77-E401 VanDerWaalsContact CE1-O 3.31Å; E401-E403 PolarHBondContact O-N 2.95Å
402	Q	88.7	Confident	90.2	Very high	24 Å²	24	39 Å²	39	11%	0.112	21%	0.213	C	C	.	.			trans	-73	126.2	179.5	-174.6	-179.1	84.9	0	0	110	V341 F344 D345 G404 V406	V341-Q402 PolarHBondContact O-NE2 2.66Å; F344-Q402 HydrophobicContact CD1-CG 4.23Å; D345-Q402 PolarHBondContact OD1-NE2 3.25Å; Q402-G404 PolarHBondContact O-N 3.05Å; Q402-G404 VanDerWaalsContact O-N 3.12Å; Q402-V406 HydrophobicContact CG-CB 4.2Å; Q402-V406 HydrophobicContact CG-CG1 4.26Å; Q402-V406 HydrophobicContact CG-CG2 4.3Å
403	E	88.9	Confident	90.7	Very high	13 Å²	13	38.8 Å²	38.8	6%	0.061	21%	0.212	C	C	.	.			trans	-69.1	115.2	177.8	-163.5	-78	155.7	0	0	109	E73 K74 H77 R78 E401 K405 V406	E73-E403 HydrophobicContact CB-CB 3.99Å; E73-E403 HydrophobicContact CB-CG 3.84Å; K74-E403 HydrophobicContact CG-CG 4.44Å; H77-E403 HydrophobicContact CB-CB 4.17Å; R78-E403 IonicContact CZ-OE1 3.55Å; R78-E403 IonicContact CZ-OE2 3.68Å; R78-E403 VanDerWaalsContact NE-CD 3.29Å; R78-E403 IonicContact NE-OE1 3.83Å; R78-E403 IonicContact NE-OE2 2.91Å; R78-E403 PolarHBondContact NE-OE2 3.46Å; R78-E403 VanDerWaalsContact NH2-CD 3.34Å; R78-E403 IonicContact NH2-OE1 2.71Å; R78-E403 PolarHBondContact NH2-OE1 3.12Å; R78-E403 IonicContact NH2-OE2 2.66Å; E401-E403 PolarHBondContact O-N 2.95Å; E403-K405 PolarHBondContact O-N 3.48Å; E403-K405 WeakPolarHBondContact OE2-CA 3.33Å; E403-K405 WeakPolarHBondContact OE2-CB 3.29Å; E403-K405 PolarHBondContact OE2-N 3.33Å; E403-V406 HydrophobicContact CB-CG2 4.38Å; E403-V406 WeakPolarHBondContact O-CB 3.39Å; E403-V406 WeakPolarHBondContact O-CG2 3.17Å; E403-V406 PolarHBondContact O-N 3.12Å
404	G	85.8	Confident	91	Very high	15 Å²	15	35.2 Å²	35.2	16%	0.155	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	28.1	-169.6	0	0	0	0	0	116.4	R338 Q402	R338-G404 WeakPolarHBondContact CD-O 3.22Å; R338-G404 VanDerWaalsContact NH1-C 3.34Å; R338-G404 VanDerWaalsContact NH1-CA 3.26Å; R338-G404 PolarHBondContact NH1-O 3.44Å; Q402-G404 PolarHBondContact O-N 3.05Å; Q402-G404 VanDerWaalsContact O-N 3.12Å
405	K	90.1	Very high	91.3	Very high	19 Å²	19	35 Å²	35	8%	0.083	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	2.9	153.4	-57.4	-159	179	-165.3	0	112.5	A180 D312 E403 Q407 F408 V409	A180-K405 HydrophobicContact CB-CD 3.61Å; D312-K405 WeakPolarHBondContact OD2-CE 3.3Å; D312-K405 IonicContact OD2-NZ 3.37Å; D312-K405 PolarHBondContact OD2-NZ 3.12Å; E403-K405 PolarHBondContact O-N 3.48Å; E403-K405 WeakPolarHBondContact OE2-CA 3.33Å; E403-K405 WeakPolarHBondContact OE2-CB 3.29Å; E403-K405 PolarHBondContact OE2-N 3.33Å; K405-Q407 VanDerWaalsContact C-N 3.29Å; K405-Q407 PolarHBondContact O-N 3.32Å; K405-F408 HydrophobicContact CB-CD2 4.12Å; K405-F408 HydrophobicContact CG-CD2 4.17Å; K405-F408 PolarHBondContact O-N 2.9Å; K405-F408 VanDerWaalsContact O-N 3.14Å; K405-V409 WeakPolarHBondContact O-CG2 3.5Å; K405-V409 PolarHBondContact O-N 3.32Å; K405-V409 VanDerWaalsContact O-N 3.07Å
406	V	94	Very high	91.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-51.8	-43.6	168.7	159.6	0	0	0	0	112.1	H77 A81 F344 Q402 E403 F408 V409 I410	H77-V406 HydrophobicContact CB-CG2 4.04Å; A81-V406 HydrophobicContact CB-CB 4.33Å; A81-V406 HydrophobicContact CB-CG1 3.86Å; A81-V406 HydrophobicContact CB-CG2 4.18Å; F344-V406 HydrophobicContact CB-CG1 4.32Å; F344-V406 HydrophobicContact CD1-CG1 3.76Å; F344-V406 HydrophobicContact CD1-CG2 4.48Å; F344-V406 HydrophobicContact CD2-CG1 4.4Å; F344-V406 HydrophobicContact CE1-CG1 4.14Å; F344-V406 HydrophobicContact CE1-CG2 4.09Å; F344-V406 HydrophobicContact CG-CG1 3.88Å; F344-V406 HydrophobicContact CZ-CG2 4.5Å; Q402-V406 HydrophobicContact CG-CB 4.2Å; Q402-V406 HydrophobicContact CG-CG1 4.26Å; Q402-V406 HydrophobicContact CG-CG2 4.3Å; E403-V406 HydrophobicContact CB-CG2 4.38Å; E403-V406 WeakPolarHBondContact O-CB 3.39Å; E403-V406 WeakPolarHBondContact O-CG2 3.17Å; E403-V406 PolarHBondContact O-N 3.12Å; V406-F408 PolarHBondContact O-N 2.03Å; V406-V409 PolarHBondContact O-N 2.88Å; V406-I410 HydrophobicContact CG1-CD1 3.89Å; V406-I410 WeakPolarHBondContact O-CG1 3.37Å; V406-I410 PolarHBondContact O-N 3.01Å; V406-I410 VanDerWaalsContact O-N 3.08Å
407	Q	93.6	Very high	92.3	Very high	6 Å²	6	25.1 Å²	25.1	3%	0.028	14%	0.14	C	C	.	.	H	α-helix	trans	-55.9	-50.6	176	-165	-150.5	-63.9	0	0	111	V341 K405 V409 I410 D411 A459	V341-Q407 HydrophobicContact CG2-CB 4.2Å; V341-Q407 HydrophobicContact CG2-CG 4.13Å; K405-Q407 VanDerWaalsContact C-N 3.29Å; K405-Q407 PolarHBondContact O-N 3.32Å; Q407-V409 VanDerWaalsContact C-N 3.28Å; Q407-V409 PolarHBondContact O-N 3.44Å; Q407-I410 WeakPolarHBondContact O-CB 3.49Å; Q407-I410 PolarHBondContact O-N 3.5Å; Q407-I410 VanDerWaalsContact O-N 3.11Å; Q407-D411 WeakPolarHBondContact CG-OD2 3.48Å; Q407-D411 PolarHBondContact NE2-OD2 3.14Å; Q407-D411 WeakPolarHBondContact O-CB 3.49Å; Q407-D411 VanDerWaalsContact O-CG 3.22Å; Q407-D411 PolarHBondContact O-N 2.9Å; Q407-A459 VanDerWaalsContact CD-CB 3.48Å; Q407-A459 HydrophobicContact CG-CB 3.69Å
408	F	94.9	Very high	92.9	Very high	13 Å²	13	23.2 Å²	23.2	6%	0.057	13%	0.128	C	C	.	.	H	α-helix	trans	-65.5	-27	179.5	-57	-56.1	0	0	0	113.3	Y179 V198 V199 P336 R338 K405 V406 A412	Y179-F408 WeakPolarHBondContact CB-O 3.34Å; Y179-F408 WeakPolarHBondContact O-CB 3.21Å; V198-F408 HydrophobicContact CG2-CB 4Å; V198-F408 HydrophobicContact CG2-CD1 4.5Å; V198-F408 WeakPolarHBondContact CG2-O 3.46Å; V199-F408 HydrophobicContact CG1-CB 3.99Å; V199-F408 HydrophobicContact CG1-CD1 3.8Å; V199-F408 HydrophobicContact CG1-CD2 3.68Å; V199-F408 HydrophobicContact CG1-CE1 4.21Å; V199-F408 HydrophobicContact CG1-CE2 4.11Å; V199-F408 HydrophobicContact CG1-CG 3.54Å; V199-F408 HydrophobicContact CG1-CZ 4.37Å; P336-F408 HydrophobicContact CB-CE2 4.26Å; P336-F408 HydrophobicContact CB-CZ 3.96Å; R338-F408 HydrophobicContact CB-CE2 4.39Å; R338-F408 HydrophobicContact CB-CZ 4.29Å; K405-F408 HydrophobicContact CB-CD2 4.12Å; K405-F408 HydrophobicContact CG-CD2 4.17Å; K405-F408 PolarHBondContact O-N 2.9Å; K405-F408 VanDerWaalsContact O-N 3.14Å; V406-F408 PolarHBondContact O-N 2.03Å; F408-A412 VanDerWaalsContact O-CB 3.28Å; F408-A412 WeakPolarHBondContact O-CB 3.44Å; F408-A412 PolarHBondContact O-N 2.87Å; F408-A412 VanDerWaalsContact O-N 3.09Å
409	V	96.8	Very high	93.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-67.5	-48	170.8	-174.5	0	0	0	0	110.3	F55 R78 A81 M82 Y179 K405 V406 Q407 A412 V413	F55-V409 HydrophobicContact CE1-CG1 3.87Å; F55-V409 HydrophobicContact CE1-CG2 4.35Å; F55-V409 HydrophobicContact CZ-CG1 4.05Å; R78-V409 HydrophobicContact CB-CG2 3.96Å; R78-V409 HydrophobicContact CG-CG2 4.19Å; A81-V409 HydrophobicContact CB-CB 4.1Å; A81-V409 HydrophobicContact CB-CG1 4.23Å; M82-V409 HydrophobicContact CB-CG1 4.02Å; Y179-V409 HydrophobicContact CD1-CG2 4.12Å; Y179-V409 HydrophobicContact CD2-CG2 3.73Å; Y179-V409 HydrophobicContact CE2-CG2 4.25Å; Y179-V409 HydrophobicContact CG-CB 4.48Å; Y179-V409 HydrophobicContact CG-CG2 3.69Å; K405-V409 WeakPolarHBondContact O-CG2 3.5Å; K405-V409 PolarHBondContact O-N 3.32Å; K405-V409 VanDerWaalsContact O-N 3.07Å; V406-V409 PolarHBondContact O-N 2.88Å; Q407-V409 VanDerWaalsContact C-N 3.28Å; Q407-V409 PolarHBondContact O-N 3.44Å; V409-A412 PolarHBondContact O-N 3.15Å; V409-V413 WeakPolarHBondContact O-CG2 3Å; V409-V413 PolarHBondContact O-N 2.79Å; V409-V413 VanDerWaalsContact O-N 3.12Å
410	I	96.5	Very high	94	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.8	-49.6	178.8	-65.3	165	0	0	0	110.1	A81 F84 A85 V341 F344 V406 Q407 A412 V413 Y414 I458	A81-I410 HydrophobicContact CB-CG1 4.16Å; F84-I410 HydrophobicContact CD1-CD1 3.82Å; F84-I410 HydrophobicContact CD1-CG1 4.24Å; F84-I410 HydrophobicContact CE1-CD1 3.95Å; A85-I410 HydrophobicContact CB-CG1 4.39Å; A85-I410 HydrophobicContact CB-CG2 4.3Å; V341-I410 HydrophobicContact CB-CD1 4.4Å; V341-I410 HydrophobicContact CG1-CD1 4.08Å; V341-I410 HydrophobicContact CG2-CD1 4.3Å; F344-I410 HydrophobicContact CB-CD1 4.48Å; V406-I410 HydrophobicContact CG1-CD1 3.89Å; V406-I410 WeakPolarHBondContact O-CG1 3.37Å; V406-I410 PolarHBondContact O-N 3.01Å; V406-I410 VanDerWaalsContact O-N 3.08Å; Q407-I410 WeakPolarHBondContact O-CB 3.49Å; Q407-I410 PolarHBondContact O-N 3.5Å; Q407-I410 VanDerWaalsContact O-N 3.11Å; I410-A412 VanDerWaalsContact C-N 3.27Å; I410-A412 PolarHBondContact O-N 2.78Å; I410-V413 PolarHBondContact O-N 2.85Å; I410-V413 VanDerWaalsContact O-N 3.11Å; I410-Y414 HydrophobicContact CG2-CD2 3.76Å; I410-Y414 HydrophobicContact CG2-CE2 3.97Å; I410-Y414 WeakPolarHBondContact O-CD2 3.01Å; I410-Y414 PolarHBondContact O-N 2.79Å; I410-I458 HydrophobicContact CG2-CD1 3.84Å; I410-I458 HydrophobicContact CG2-CG1 4.22Å
411	D	96	Very high	94.3	Very high	5 Å²	5	17.6 Å²	17.6	3%	0.027	9%	0.085	C	C	.	.	H	α-helix	trans	-60.6	-34.8	179.8	-64.5	-25.7	0	0	0	111.9	V198 Q407 A415 V463	V198-D411 HydrophobicContact CG2-CB 4.48Å; Q407-D411 WeakPolarHBondContact CG-OD2 3.48Å; Q407-D411 PolarHBondContact NE2-OD2 3.14Å; Q407-D411 WeakPolarHBondContact O-CB 3.49Å; Q407-D411 VanDerWaalsContact O-CG 3.22Å; Q407-D411 PolarHBondContact O-N 2.9Å; D411-A415 WeakPolarHBondContact O-CB 3.05Å; D411-A415 PolarHBondContact O-N 2.63Å; D411-V463 HydrophobicContact CB-CG2 3.94Å
412	A	97.4	Very high	94.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-68.5	-39	174.1	0	0	0	0	0	113.3	I154 I177 V198 F408 V409 I410 M416	I154-A412 HydrophobicContact CD1-CB 4.38Å; I154-A412 HydrophobicContact CG2-CB 4.19Å; I177-A412 HydrophobicContact CB-CB 4.47Å; I177-A412 HydrophobicContact CG2-CB 3.76Å; V198-A412 HydrophobicContact CG1-CB 4.35Å; V198-A412 HydrophobicContact CG2-CB 3.93Å; F408-A412 VanDerWaalsContact O-CB 3.28Å; F408-A412 WeakPolarHBondContact O-CB 3.44Å; F408-A412 PolarHBondContact O-N 2.87Å; F408-A412 VanDerWaalsContact O-N 3.09Å; V409-A412 PolarHBondContact O-N 3.15Å; I410-A412 VanDerWaalsContact C-N 3.27Å; I410-A412 PolarHBondContact O-N 2.78Å; A412-M416 PolarHBondContact O-N 2.98Å
413	V	97.7	Very high	95.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-69.2	-42	175	-177.5	0	0	0	0	110.9	M82 A85 L86 I89 I154 V409 I410 A415 M416 G417	M82-V413 HydrophobicContact CB-CG2 4.29Å; M82-V413 HydrophobicContact CG-CG2 4Å; A85-V413 HydrophobicContact CB-CB 3.71Å; A85-V413 HydrophobicContact CB-CG1 3.79Å; A85-V413 HydrophobicContact CB-CG2 4.1Å; L86-V413 HydrophobicContact CD2-CG1 4.18Å; L86-V413 HydrophobicContact CG-CG1 4.31Å; I89-V413 HydrophobicContact CD1-CG1 3.9Å; I154-V413 HydrophobicContact CG1-CG2 4.26Å; I154-V413 HydrophobicContact CG2-CG2 4.31Å; V409-V413 WeakPolarHBondContact O-CG2 3Å; V409-V413 PolarHBondContact O-N 2.79Å; V409-V413 VanDerWaalsContact O-N 3.12Å; I410-V413 PolarHBondContact O-N 2.85Å; I410-V413 VanDerWaalsContact O-N 3.11Å; V413-A415 PolarHBondContact O-N 3.37Å; V413-M416 WeakPolarHBondContact O-CB 3.02Å; V413-M416 PolarHBondContact O-N 2.83Å; V413-G417 PolarHBondContact O-N 3.06Å
414	Y	96.9	Very high	95.3	Very high	17 Å²	17	10.8 Å²	10.8	7%	0.067	6%	0.057	C	C	.	.	H	α-helix	trans	-64.4	-37.6	175.2	-91.3	-94.6	0	0	0	112.4	A85 R88 I89 L95 I410 M416 G417 H418 I458	A85-Y414 HydrophobicContact CB-CD2 4.35Å; A85-Y414 HydrophobicContact CB-CE2 4.26Å; R88-Y414 VanDerWaalsContact CB-OH 3.3Å; R88-Y414 WeakPolarHBondContact CB-OH 3.43Å; I89-Y414 HydrophobicContact CD1-CD1 4.42Å; I89-Y414 HydrophobicContact CD1-CD2 4.17Å; I89-Y414 HydrophobicContact CD1-CE1 4.5Å; I89-Y414 HydrophobicContact CD1-CE2 4.25Å; I89-Y414 HydrophobicContact CD1-CG 4.26Å; I89-Y414 HydrophobicContact CG1-CD1 4.28Å; I89-Y414 HydrophobicContact CG1-CD2 4.37Å; I89-Y414 HydrophobicContact CG1-CE1 3.9Å; I89-Y414 HydrophobicContact CG1-CE2 4Å; L95-Y414 HydrophobicContact CD2-CD1 4.03Å; L95-Y414 HydrophobicContact CD2-CE1 3.99Å; I410-Y414 HydrophobicContact CG2-CD2 3.76Å; I410-Y414 HydrophobicContact CG2-CE2 3.97Å; I410-Y414 WeakPolarHBondContact O-CD2 3.01Å; I410-Y414 PolarHBondContact O-N 2.79Å; Y414-M416 VanDerWaalsContact C-N 3.3Å; Y414-M416 PolarHBondContact O-N 2.95Å; Y414-G417 PolarHBondContact O-N 3.24Å; Y414-H418 AromaticContact CD1-NE2 3.84Å; Y414-H418 WeakPolarHBondContact O-CB 3.45Å; Y414-H418 PolarHBondContact O-CD2 2.86Å; Y414-H418 PolarHBondContact O-N 3.24Å; Y414-I458 HydrophobicContact CE2-CD1 3.74Å; Y414-I458 HydrophobicContact CE2-CG1 4.3Å
415	A	97.5	Very high	95.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.5	-41.2	172.8	0	0	0	0	0	112	I177 D411 V413 A419 V453 F455 F465	I177-A415 HydrophobicContact CD1-CB 4.15Å; D411-A415 WeakPolarHBondContact O-CB 3.05Å; D411-A415 PolarHBondContact O-N 2.63Å; V413-A415 PolarHBondContact O-N 3.37Å; A415-A419 VanDerWaalsContact O-CB 3.26Å; A415-A419 WeakPolarHBondContact O-CB 3.27Å; A415-A419 PolarHBondContact O-N 3.22Å; A415-V453 HydrophobicContact CB-CG2 4.25Å; A415-F455 HydrophobicContact CB-CE1 3.97Å; A415-F455 HydrophobicContact CB-CZ 4.18Å; A415-F465 HydrophobicContact CB-CE2 4.35Å; A415-F465 HydrophobicContact CB-CZ 4.19Å
416	M	97.4	Very high	95.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65.6	-43.2	173.8	-166.9	67.4	72.2	0	0	112	L51 I154 I177 A412 V413 Y414 A419 L420 L446 I450	L51-M416 HydrophobicContact CD1-CB 4.25Å; L51-M416 HydrophobicContact CD1-CG 3.82Å; L51-M416 HydrophobicContact CD2-CG 3.63Å; L51-M416 HydrophobicContact CD2-SD 4.41Å; L51-M416 HydrophobicContact CG-CG 4.41Å; I154-M416 HydrophobicContact CD1-CB 4.36Å; I154-M416 HydrophobicContact CD1-CE 4.18Å; I177-M416 HydrophobicContact CD1-CB 4.42Å; I177-M416 HydrophobicContact CD1-CE 3.81Å; I177-M416 HydrophobicContact CG1-CE 3.99Å; A412-M416 PolarHBondContact O-N 2.98Å; V413-M416 WeakPolarHBondContact O-CB 3.02Å; V413-M416 PolarHBondContact O-N 2.83Å; Y414-M416 VanDerWaalsContact C-N 3.3Å; Y414-M416 PolarHBondContact O-N 2.95Å; M416-A419 PolarHBondContact O-N 2.85Å; M416-L420 HydrophobicContact CG-CD1 4.18Å; M416-L420 WeakPolarHBondContact O-CB 3.49Å; M416-L420 WeakPolarHBondContact O-CG 3.46Å; M416-L420 PolarHBondContact O-N 2.88Å; M416-L446 HydrophobicContact SD-CD2 4.01Å; M416-L446 HydrophobicContact SD-CG 4.49Å; M416-I450 HydrophobicContact CE-CD1 4.02Å; M416-I450 HydrophobicContact SD-CD1 3.84Å; M416-I450 HydrophobicContact SD-CG1 4.42Å
417	G	96.5	Very high	95.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62	-47.6	177	0	0	0	0	0	113.3	V413 Y414 L420 H421	V413-G417 PolarHBondContact O-N 3.06Å; Y414-G417 PolarHBondContact O-N 3.24Å; G417-L420 PolarHBondContact O-N 3.08Å; G417-H421 WeakPolarHBondContact O-CB 3.38Å; G417-H421 PolarHBondContact O-N 2.88Å
418	H	96.9	Very high	95.7	Very high	58 Å²	58	20.8 Å²	20.8	27%	0.269	10%	0.097	S	C	.	.	H	α-helix	trans	-65	-37.4	176.1	-74.1	-62.5	0	0	0	112.5	L95 Y414 H421 A422 V453 F455	L95-H418 WeakPolarHBondContact CD1-ND1 3.46Å; Y414-H418 AromaticContact CD1-NE2 3.84Å; Y414-H418 WeakPolarHBondContact O-CB 3.45Å; Y414-H418 PolarHBondContact O-CD2 2.86Å; Y414-H418 PolarHBondContact O-N 3.24Å; H418-H421 PolarHBondContact O-N 3.34Å; H418-A422 WeakPolarHBondContact O-CB 3.32Å; H418-A422 PolarHBondContact O-N 3.08Å; H418-V453 HydrophobicContact CB-CG1 4.34Å; H418-F455 HydrophobicContact CB-CD1 4.47Å; H418-F455 AromaticContact CD2-CD1 3.59Å; H418-F455 AromaticContact CD2-CD2 3.51Å; H418-F455 AromaticContact CD2-CE1 3.89Å; H418-F455 AromaticContact CD2-CE2 3.83Å; H418-F455 AromaticContact CD2-CG 3.39Å; H418-F455 WeakPolarHBondContact CD2-CG 3.49Å; H418-F455 AromaticContact NE2-CD2 3.51Å; H418-F455 AromaticContact NE2-CG 3.66Å
419	A	97.4	Very high	95.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.6	-44.8	174.3	0	0	0	0	0	112.2	A415 M416 H421 A422 M423 L446 Y449 I450 V453	A415-A419 VanDerWaalsContact O-CB 3.26Å; A415-A419 WeakPolarHBondContact O-CB 3.27Å; A415-A419 PolarHBondContact O-N 3.22Å; M416-A419 PolarHBondContact O-N 2.85Å; A419-H421 VanDerWaalsContact C-N 3.34Å; A419-H421 PolarHBondContact O-N 2.91Å; A419-A422 PolarHBondContact O-N 3.4Å; A419-M423 VanDerWaalsContact O-CB 3.31Å; A419-M423 WeakPolarHBondContact O-CB 3.36Å; A419-M423 PolarHBondContact O-N 3.18Å; A419-L446 HydrophobicContact CB-CD1 4.02Å; A419-Y449 WeakPolarHBondContact O-CB 3.41Å; A419-I450 HydrophobicContact CB-CB 4.34Å; A419-I450 HydrophobicContact CB-CG1 3.6Å; A419-V453 HydrophobicContact CB-CG1 3.97Å
420	L	96.1	Very high	94.7	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.7	-37.4	174.9	-73.6	167.9	0	0	0	112.1	I49 L96 L101 M416 G417 M423 H424 M438 V441 L446	I49-L420 HydrophobicContact CD1-CD1 4.35Å; I49-L420 HydrophobicContact CD1-CD2 4.18Å; I49-L420 HydrophobicContact CG2-CD1 4.06Å; L96-L420 HydrophobicContact CD1-CB 4.27Å; L96-L420 HydrophobicContact CD2-CB 4.14Å; L101-L420 HydrophobicContact CD2-CD1 3.88Å; M416-L420 HydrophobicContact CG-CD1 4.18Å; M416-L420 WeakPolarHBondContact O-CB 3.49Å; M416-L420 WeakPolarHBondContact O-CG 3.46Å; M416-L420 PolarHBondContact O-N 2.88Å; G417-L420 PolarHBondContact O-N 3.08Å; L420-M423 PolarHBondContact O-N 2.86Å; L420-H424 WeakPolarHBondContact O-CB 3.27Å; L420-H424 PolarHBondContact O-N 3.24Å; L420-M438 HydrophobicContact CD2-CE 4.36Å; L420-V441 HydrophobicContact CD2-CG1 4.38Å; L420-L446 HydrophobicContact CD2-CD1 3.76Å; L420-L446 HydrophobicContact CD2-CD2 4.14Å; L420-L446 HydrophobicContact CG-CD1 4.01Å
421	H	95.3	Very high	94.1	Very high	50 Å²	50	36.5 Å²	36.5	23%	0.231	20%	0.196	C	C	.	.	H	α-helix	trans	-69.3	-42.4	177.2	177.7	82.6	0	0	0	112.6	D94 L95 L96 G417 H418 A419 H424 R425	D94-H421 PolarHBondContact O-CE1 2.99Å; D94-H421 VanDerWaalsContact O-CE1 3.27Å; L95-H421 HydrophobicContact CD1-CB 3.68Å; L96-H421 HydrophobicContact CD2-CB 3.9Å; L96-H421 HydrophobicContact CG-CB 4.11Å; L96-H421 PolarHBondContact N-ND1 3Å; G417-H421 WeakPolarHBondContact O-CB 3.38Å; G417-H421 PolarHBondContact O-N 2.88Å; H418-H421 PolarHBondContact O-N 3.34Å; A419-H421 VanDerWaalsContact C-N 3.34Å; A419-H421 PolarHBondContact O-N 2.91Å; H421-H424 PolarHBondContact O-N 2.81Å; H421-R425 WeakPolarHBondContact O-CB 3.41Å; H421-R425 PolarHBondContact O-N 3.27Å
422	A	95.7	Very high	93.4	Very high	22 Å²	22	41.9 Å²	41.9	18%	0.182	23%	0.229	C	C	.	.	H	α-helix	trans	-61.3	-45.4	172.3	0	0	0	0	0	111.1	H418 A419 H424 R425 D426 Y449	H418-A422 WeakPolarHBondContact O-CB 3.32Å; H418-A422 PolarHBondContact O-N 3.08Å; A419-A422 PolarHBondContact O-N 3.4Å; A422-H424 VanDerWaalsContact C-N 3.32Å; A422-H424 PolarHBondContact O-N 3.41Å; A422-R425 PolarHBondContact O-N 3.01Å; A422-D426 WeakPolarHBondContact O-CB 3.43Å; A422-D426 VanDerWaalsContact O-CG 3.22Å; A422-D426 PolarHBondContact O-N 3.23Å; A422-D426 VanDerWaalsContact O-N 3.08Å; A422-Y449 HydrophobicContact CB-CD1 3.84Å; A422-Y449 HydrophobicContact CB-CE1 4.43Å
423	M	95.3	Very high	92.8	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-59.6	-40.3	175.1	-174.1	170.2	-178.4	0	0	112.5	A419 L420 L427 M438 V441 Q445 L446 Y449	A419-M423 VanDerWaalsContact O-CB 3.31Å; A419-M423 WeakPolarHBondContact O-CB 3.36Å; A419-M423 PolarHBondContact O-N 3.18Å; L420-M423 PolarHBondContact O-N 2.86Å; M423-L427 HydrophobicContact CE-CD1 3.59Å; M423-L427 HydrophobicContact CG-CD1 3.67Å; M423-L427 HydrophobicContact CG-CG 4.34Å; M423-L427 VanDerWaalsContact O-CB 3.23Å; M423-L427 WeakPolarHBondContact O-CB 3.16Å; M423-L427 VanDerWaalsContact O-CG 3.32Å; M423-L427 WeakPolarHBondContact O-CG 3.27Å; M423-L427 PolarHBondContact O-N 3.33Å; M423-M438 HydrophobicContact CB-CE 4.23Å; M423-M438 HydrophobicContact CG-CE 3.97Å; M423-M438 HydrophobicContact CG-SD 4.34Å; M423-M438 HydrophobicContact SD-CE 4.28Å; M423-V441 HydrophobicContact CE-CG1 3.9Å; M423-V441 HydrophobicContact SD-CG1 3.95Å; M423-Q445 HydrophobicContact CE-CB 3.86Å; M423-L446 HydrophobicContact SD-CB 4.06Å; M423-L446 HydrophobicContact SD-CD1 4.23Å; M423-Y449 HydrophobicContact CB-CD1 4.41Å; M423-Y449 HydrophobicContact CB-CD2 3.56Å; M423-Y449 HydrophobicContact CB-CE2 3.7Å; M423-Y449 HydrophobicContact CB-CG 3.95Å; M423-Y449 HydrophobicContact CG-CD2 3.77Å; M423-Y449 HydrophobicContact CG-CE2 3.6Å; M423-Y449 HydrophobicContact SD-CD2 4.08Å; M423-Y449 HydrophobicContact SD-CE2 4.28Å
424	H	94.2	Very high	92.4	Very high	21 Å²	21	45.2 Å²	45.2	10%	0.097	25%	0.249	C	C	.	.	H	α-helix	trans	-67.4	-48.6	176.8	179.4	-88.6	0	0	0	112.5	I99 L420 H421 A422 D426 L427 C428 R431 G433 M438	I99-H424 VanDerWaalsContact CD1-CD2 3.43Å; I99-H424 WeakPolarHBondContact CD1-CD2 3.47Å; L420-H424 WeakPolarHBondContact O-CB 3.27Å; L420-H424 PolarHBondContact O-N 3.24Å; H421-H424 PolarHBondContact O-N 2.81Å; A422-H424 VanDerWaalsContact C-N 3.32Å; A422-H424 PolarHBondContact O-N 3.41Å; H424-D426 PolarHBondContact O-N 3.28Å; H424-L427 PolarHBondContact O-N 2.93Å; H424-C428 CarbonylContact O-C 3.46Å; H424-C428 VanDerWaalsContact O-CA 3.28Å; H424-C428 WeakPolarHBondContact O-CA 3.42Å; H424-C428 VanDerWaalsContact O-CB 3.23Å; H424-C428 WeakPolarHBondContact O-CB 3.44Å; H424-C428 PolarHBondContact O-N 3.11Å; H424-R431 PolarHBondContact CE1-O 3.28Å; H424-G433 PolarHBondContact NE2-O 2.91Å; H424-M438 WeakPolarHBondContact CA-SD 3.41Å; H424-M438 HydrophobicContact CB-CE 4.22Å; H424-M438 HydrophobicContact CB-SD 3.8Å
425	R	92.9	Very high	92	Very high	149 Å²	149	44.7 Å²	44.7	56%	0.562	25%	0.249	S	C	*	.	H	α-helix	trans	-57.6	-38.8	178.3	-172.7	-169.3	65	-157.9	-5.7	112	H421 A422	H421-R425 WeakPolarHBondContact O-CB 3.41Å; H421-R425 PolarHBondContact O-N 3.27Å; A422-R425 PolarHBondContact O-N 3.01Å
426	D	93.9	Very high	91.6	Very high	80 Å²	80	49.6 Å²	49.6	43%	0.428	28%	0.28	S	S	.	.	H	α-helix	trans	-86.1	-29.4	-174.5	-63.1	9.2	0	0	0	112.6	A422 H424 Y449	A422-D426 WeakPolarHBondContact O-CB 3.43Å; A422-D426 VanDerWaalsContact O-CG 3.22Å; A422-D426 PolarHBondContact O-N 3.23Å; A422-D426 VanDerWaalsContact O-N 3.08Å; H424-D426 PolarHBondContact O-N 3.28Å; D426-Y449 HydrophobicContact CB-CE1 4.39Å
427	L	92.8	Very high	91.1	Very high	17 Å²	17	57.6 Å²	57.6	9%	0.089	31%	0.31	C	S	.	.	H	α-helix	trans	-99.1	-26.9	178.9	-63.4	-178.5	0	0	0	115.1	M423 H424 P429 R437 M438	M423-L427 HydrophobicContact CE-CD1 3.59Å; M423-L427 HydrophobicContact CG-CD1 3.67Å; M423-L427 HydrophobicContact CG-CG 4.34Å; M423-L427 VanDerWaalsContact O-CB 3.23Å; M423-L427 WeakPolarHBondContact O-CB 3.16Å; M423-L427 VanDerWaalsContact O-CG 3.32Å; M423-L427 WeakPolarHBondContact O-CG 3.27Å; M423-L427 PolarHBondContact O-N 3.33Å; H424-L427 PolarHBondContact O-N 2.93Å; L427-P429 WeakPolarHBondContact O-CD 3.43Å; L427-R437 HydrophobicContact CB-CB 4.4Å; L427-M438 HydrophobicContact CD1-CG 4.22Å
428	C	91.9	Very high	90.8	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.02	31%	0.311	C	S	.	.	S	Bend	trans	-120.6	39.6	-175	-56.5	0	0	0	0	113.5	H424 G430 R431 C435 M438	H424-C428 CarbonylContact O-C 3.46Å; H424-C428 VanDerWaalsContact O-CA 3.28Å; H424-C428 WeakPolarHBondContact O-CA 3.42Å; H424-C428 VanDerWaalsContact O-CB 3.23Å; H424-C428 WeakPolarHBondContact O-CB 3.44Å; H424-C428 PolarHBondContact O-N 3.11Å; C428-G430 PolarHBondContact O-N 2.75Å; C428-R431 HydrophobicContact CB-CB 4.49Å; C428-R431 PolarHBondContact O-N 3Å; C428-R431 VanDerWaalsContact O-N 3.08Å; C428-C435 VanDerWaalsContact CA-SG 3.57Å; C428-C435 HydrophobicContact CB-CB 3.66Å; C428-C435 WeakPolarHBondContact CB-SG 3.46Å; C428-C435 WeakPolarHBondContact SG-CB 3.17Å; C428-C435 CovalentContact SG-SG 2.03Å; C428-C435 PolarHBondContact SG-SG 2.97Å; C428-M438 VanDerWaalsContact SG-SD 3.69Å
429	P	88	Confident	90.3	Very high	96 Å²	96	59.8 Å²	59.8	62%	0.623	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	131.8	-171.6	25.5	-35.9	0	0	0	112.2	L427 R431	L427-P429 WeakPolarHBondContact O-CD 3.43Å; P429-R431 PolarHBondContact O-N 3.35Å
430	G	81.7	Confident	89.7	Confident	90 Å²	90	63.7 Å²	63.7	93%	0.928	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	5.4	179.6	0	0	0	0	0	115.8	C428	C428-G430 PolarHBondContact O-N 2.75Å
431	R	84.6	Confident	89.4	Confident	158 Å²	158	64.7 Å²	64.7	60%	0.596	36%	0.356	S	S	*	.			trans	-96.5	140.5	173.1	-69.4	-175.2	172.8	-123.7	0.5	111.5	H424 C428 P429	H424-R431 PolarHBondContact CE1-O 3.28Å; C428-R431 HydrophobicContact CB-CB 4.49Å; C428-R431 PolarHBondContact O-N 3Å; C428-R431 VanDerWaalsContact O-N 3.08Å; P429-R431 PolarHBondContact O-N 3.35Å
432	V	81.6	Confident	89.3	Confident	117 Å²	117	65 Å²	65	71%	0.709	36%	0.359	S	S	*	.	S	Bend	trans	-90.5	136.6	169.5	-175.5	0	0	0	0	108.6	N98	N98-V432 HydrophobicContact CB-CG1 3.74Å; N98-V432 WeakPolarHBondContact ND2-CG1 3.34Å
433	G	85.1	Confident	89.1	Confident	13 Å²	13	64.3 Å²	64.3	13%	0.134	35%	0.354	C	S	.	.	S	Bend	trans	74	-177.8	-176.9	0	0	0	0	0	114.4	N98 H424	N98-G433 WeakPolarHBondContact O-CA 3.27Å; H424-G433 PolarHBondContact NE2-O 2.91Å
434	L	87.9	Confident	89.1	Confident	57 Å²	57	66.3 Å²	66.3	30%	0.298	37%	0.366	S	S	.	.			trans	-67.5	130	-177.5	-167.2	67.3	0	0	0	111	I49 M438 D439	I49-L434 HydrophobicContact CD1-CD1 3.98Å; I49-L434 HydrophobicContact CG1-CD1 4.29Å; L434-M438 HydrophobicContact CD1-CB 3.57Å; L434-M438 HydrophobicContact CD1-CE 4.42Å; L434-M438 HydrophobicContact CD1-SD 4.47Å; L434-M438 HydrophobicContact CG-CB 4.35Å; L434-D439 HydrophobicContact CD2-CB 4.24Å
435	C	89.3	Confident	89.1	Confident	7 Å²	7	68.5 Å²	68.5	5%	0.047	38%	0.376	C	S	.	.			trans	-102.8	159.5	178.2	89.8	0	0	0	0	112.8	C428 R437 M438 D439	C428-C435 VanDerWaalsContact CA-SG 3.57Å; C428-C435 HydrophobicContact CB-CB 3.66Å; C428-C435 WeakPolarHBondContact CB-SG 3.46Å; C428-C435 WeakPolarHBondContact SG-CB 3.17Å; C428-C435 CovalentContact SG-SG 2.03Å; C428-C435 PolarHBondContact SG-SG 2.97Å; C435-R437 PolarHBondContact O-N 2.93Å; C435-M438 PolarHBondContact O-N 3.07Å; C435-D439 PolarHBondContact O-N 3.47Å
436	P	88.2	Confident	89.2	Confident	102 Å²	102	61.4 Å²	61.4	66%	0.662	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-7.6	-176.6	-26.1	35.7	0	0	0	116.6	M438	P436-M438 VanDerWaalsContact C-N 3.29Å
437	R	88.3	Confident	89.3	Confident	169 Å²	169	58.6 Å²	58.6	64%	0.638	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-3.3	170.8	-61.8	-171.7	69	-171.8	2.2	113.4	L427 C435	L427-R437 HydrophobicContact CB-CB 4.4Å; C435-R437 PolarHBondContact O-N 2.93Å
438	M	89.9	Confident	89.4	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.01	36%	0.36	C	S	.	.	S	Bend	trans	-127.9	6.7	177.7	-65.5	-178.6	70.7	0	0	113	L420 M423 H424 L427 C428 L434 C435 P436 P440 V441	L420-M438 HydrophobicContact CD2-CE 4.36Å; M423-M438 HydrophobicContact CB-CE 4.23Å; M423-M438 HydrophobicContact CG-CE 3.97Å; M423-M438 HydrophobicContact CG-SD 4.34Å; M423-M438 HydrophobicContact SD-CE 4.28Å; H424-M438 WeakPolarHBondContact CA-SD 3.41Å; H424-M438 HydrophobicContact CB-CE 4.22Å; H424-M438 HydrophobicContact CB-SD 3.8Å; L427-M438 HydrophobicContact CD1-CG 4.22Å; C428-M438 VanDerWaalsContact SG-SD 3.69Å; L434-M438 HydrophobicContact CD1-CB 3.57Å; L434-M438 HydrophobicContact CD1-CE 4.42Å; L434-M438 HydrophobicContact CD1-SD 4.47Å; L434-M438 HydrophobicContact CG-CB 4.35Å; C435-M438 PolarHBondContact O-N 3.07Å; P436-M438 VanDerWaalsContact C-N 3.29Å; M438-P440 CarbonylContact C-O 3.57Å; M438-P440 CarbonylContact O-C 3.52Å; M438-V441 HydrophobicContact CB-CG2 4.41Å; M438-V441 WeakPolarHBondContact O-CG2 3.45Å; M438-V441 PolarHBondContact O-N 3.1Å
439	D	86.4	Confident	89.7	Confident	101 Å²	101	66.7 Å²	66.7	54%	0.54	37%	0.368	S	S	.	.	S	Bend	trans	-116.2	99.5	167.7	-178.9	18.8	0	0	0	109.8	L434 C435	L434-D439 HydrophobicContact CD2-CB 4.24Å; C435-D439 PolarHBondContact O-N 3.47Å
440	P	85.4	Confident	90.1	Very high	82 Å²	82	62.2 Å²	62.2	53%	0.532	34%	0.338	S	S	.	.	S	Bend	cis	-79.1	160.2	-4.1	33.9	-35.7	0	0	0	113.4	M438 D442	M438-P440 CarbonylContact C-O 3.57Å; M438-P440 CarbonylContact O-C 3.52Å; P440-D442 PolarHBondContact O-N 3.28Å
441	V	90	Very high	90.7	Very high	22 Å²	22	60.4 Å²	60.4	13%	0.133	30%	0.304	C	S	.	.			trans	-71.6	125.1	173	-177.7	0	0	0	0	110.3	V151 L420 M423 M438 G443 L446	V151-V441 HydrophobicContact CB-CB 4.18Å; V151-V441 HydrophobicContact CB-CG2 4.47Å; V151-V441 HydrophobicContact CG1-CB 3.88Å; V151-V441 HydrophobicContact CG1-CG2 3.91Å; L420-V441 HydrophobicContact CD2-CG1 4.38Å; M423-V441 HydrophobicContact CE-CG1 3.9Å; M423-V441 HydrophobicContact SD-CG1 3.95Å; M438-V441 HydrophobicContact CB-CG2 4.41Å; M438-V441 WeakPolarHBondContact O-CG2 3.45Å; M438-V441 PolarHBondContact O-N 3.1Å; V441-G443 PolarHBondContact O-N 2.94Å; V441-L446 HydrophobicContact CG1-CB 4.25Å; V441-L446 HydrophobicContact CG1-CD2 4.1Å
442	D	91.8	Very high	91.2	Very high	56 Å²	56	59.3 Å²	59.3	30%	0.299	31%	0.31	S	S	.	.			trans	-77.9	108.5	171.9	179.1	-3.2	0	0	0	110.8	P440 T444 Q445 L446	P440-D442 PolarHBondContact O-N 3.28Å; D442-T444 PolarHBondContact O-N 3.41Å; D442-T444 WeakPolarHBondContact OD1-CB 3.46Å; D442-T444 PolarHBondContact OD1-N 3.44Å; D442-T444 PolarHBondContact OD1-OG1 2.88Å; D442-T444 PolarHBondContact OD2-OG1 2.04Å; D442-T444 VanDerWaalsContact OD2-OG1 3.1Å; D442-Q445 HydrophobicContact CB-CB 4.29Å; D442-Q445 HydrophobicContact CB-CG 4.22Å; D442-Q445 PolarHBondContact O-N 3Å; D442-Q445 WeakPolarHBondContact OD2-CG 3.35Å; D442-Q445 PolarHBondContact OD2-NE2 2.02Å; D442-L446 PolarHBondContact O-N 3.34Å
443	G	92.5	Very high	91.9	Very high	8 Å²	8	54.4 Å²	54.4	8%	0.082	28%	0.28	C	S	.	.	H	α-helix	trans	-60.5	-25	178.5	0	0	0	0	0	115	K173 V441 Q445 L447	K173-G443 WeakPolarHBondContact O-CA 3.46Å; V441-G443 PolarHBondContact O-N 2.94Å; G443-Q445 VanDerWaalsContact C-N 3.32Å; G443-L447 WeakPolarHBondContact O-CB 3.39Å; G443-L447 PolarHBondContact O-N 3.13Å
444	T	94.1	Very high	92.4	Very high	43 Å²	43	59.9 Å²	59.9	26%	0.264	31%	0.306	S	S	.	.	H	α-helix	trans	-72.3	-27.3	174	65.8	0	0	0	0	112.6	K173 F194 D442	K173-T444 HydrophobicContact CB-CG2 4.21Å; K173-T444 HydrophobicContact CD-CG2 3.68Å; K173-T444 HydrophobicContact CG-CG2 4.03Å; F194-T444 HydrophobicContact CE1-CG2 4.29Å; F194-T444 HydrophobicContact CZ-CG2 3.76Å; D442-T444 PolarHBondContact O-N 3.41Å; D442-T444 WeakPolarHBondContact OD1-CB 3.46Å; D442-T444 PolarHBondContact OD1-N 3.44Å; D442-T444 PolarHBondContact OD1-OG1 2.88Å; D442-T444 PolarHBondContact OD2-OG1 2.04Å; D442-T444 VanDerWaalsContact OD2-OG1 3.1Å
445	Q	94.9	Very high	92.7	Very high	66 Å²	66	58.1 Å²	58.1	31%	0.308	30%	0.296	S	S	.	.	H	α-helix	trans	-81.4	-46.6	172.9	-67.8	176.1	56.9	0	0	109.6	M423 D442 G443 L447 K448 Y449	M423-Q445 HydrophobicContact CE-CB 3.86Å; D442-Q445 HydrophobicContact CB-CB 4.29Å; D442-Q445 HydrophobicContact CB-CG 4.22Å; D442-Q445 PolarHBondContact O-N 3Å; D442-Q445 WeakPolarHBondContact OD2-CG 3.35Å; D442-Q445 PolarHBondContact OD2-NE2 2.02Å; G443-Q445 VanDerWaalsContact C-N 3.32Å; Q445-L447 VanDerWaalsContact C-N 3.28Å; Q445-L447 PolarHBondContact O-N 3.44Å; Q445-K448 WeakPolarHBondContact O-CB 3.32Å; Q445-K448 PolarHBondContact O-N 2.76Å; Q445-Y449 WeakPolarHBondContact O-CD2 3.4Å; Q445-Y449 PolarHBondContact O-N 3.21Å
446	L	96	Very high	92.8	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-55.2	-41.3	177.2	-178.3	57	0	0	0	112.3	V151 P175 M416 A419 L420 M423 V441 D442 K448 Y449 I450	V151-L446 HydrophobicContact CG2-CD2 4.45Å; P175-L446 HydrophobicContact CG-CB 4.49Å; P175-L446 HydrophobicContact CG-CD2 3.9Å; P175-L446 HydrophobicContact CG-CG 4.14Å; M416-L446 HydrophobicContact SD-CD2 4.01Å; M416-L446 HydrophobicContact SD-CG 4.49Å; A419-L446 HydrophobicContact CB-CD1 4.02Å; L420-L446 HydrophobicContact CD2-CD1 3.76Å; L420-L446 HydrophobicContact CD2-CD2 4.14Å; L420-L446 HydrophobicContact CG-CD1 4.01Å; M423-L446 HydrophobicContact SD-CB 4.06Å; M423-L446 HydrophobicContact SD-CD1 4.23Å; V441-L446 HydrophobicContact CG1-CB 4.25Å; V441-L446 HydrophobicContact CG1-CD2 4.1Å; D442-L446 PolarHBondContact O-N 3.34Å; L446-K448 VanDerWaalsContact C-N 3.25Å; L446-K448 PolarHBondContact O-N 3.09Å; L446-Y449 PolarHBondContact O-N 3.02Å; L446-Y449 VanDerWaalsContact O-N 3.11Å; L446-I450 HydrophobicContact CD1-CD1 4.42Å; L446-I450 HydrophobicContact CD1-CG1 4.34Å; L446-I450 HydrophobicContact CG-CD1 3.92Å; L446-I450 HydrophobicContact CG-CG1 4.33Å; L446-I450 WeakPolarHBondContact O-CG1 3.36Å; L446-I450 PolarHBondContact O-N 3.45Å
447	L	95.7	Very high	92.7	Very high	21 Å²	21	57.1 Å²	57.1	11%	0.11	29%	0.292	C	S	.	.	H	α-helix	trans	-55.9	-36.4	175.1	-179.1	65.3	0	0	0	113.3	P175 D193 F194 G443 Q445 I450 R451	P175-L447 HydrophobicContact CB-CD1 4.31Å; D193-L447 WeakPolarHBondContact O-CD2 3.42Å; F194-L447 HydrophobicContact CD1-CD2 3.98Å; F194-L447 HydrophobicContact CE1-CD2 4.07Å; F194-L447 HydrophobicContact CG-CD2 4.38Å; G443-L447 WeakPolarHBondContact O-CB 3.39Å; G443-L447 PolarHBondContact O-N 3.13Å; Q445-L447 VanDerWaalsContact C-N 3.28Å; Q445-L447 PolarHBondContact O-N 3.44Å; L447-I450 PolarHBondContact O-N 3.24Å; L447-R451 WeakPolarHBondContact O-CG 3.35Å; L447-R451 PolarHBondContact O-N 3.26Å
448	K	95.3	Very high	92.5	Very high	141 Å²	141	52.1 Å²	52.1	61%	0.613	28%	0.278	S	S	*	.	H	α-helix	trans	-70.2	-39.8	177.4	-60.7	175.5	-175	179.5	0	111.4	Q445 L446 N452	Q445-K448 WeakPolarHBondContact O-CB 3.32Å; Q445-K448 PolarHBondContact O-N 2.76Å; L446-K448 VanDerWaalsContact C-N 3.25Å; L446-K448 PolarHBondContact O-N 3.09Å; K448-N452 WeakPolarHBondContact O-CB 3.28Å; K448-N452 PolarHBondContact O-N 3.23Å
449	Y	96.9	Very high	92	Very high	50 Å²	50	53.3 Å²	53.3	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-67.5	-38.7	173.7	-66.5	-74.9	0	0	0	111.7	A419 A422 M423 D426 Q445 L446 N452 V453	A419-Y449 WeakPolarHBondContact O-CB 3.41Å; A422-Y449 HydrophobicContact CB-CD1 3.84Å; A422-Y449 HydrophobicContact CB-CE1 4.43Å; M423-Y449 HydrophobicContact CB-CD1 4.41Å; M423-Y449 HydrophobicContact CB-CD2 3.56Å; M423-Y449 HydrophobicContact CB-CE2 3.7Å; M423-Y449 HydrophobicContact CB-CG 3.95Å; M423-Y449 HydrophobicContact CG-CD2 3.77Å; M423-Y449 HydrophobicContact CG-CE2 3.6Å; M423-Y449 HydrophobicContact SD-CD2 4.08Å; M423-Y449 HydrophobicContact SD-CE2 4.28Å; D426-Y449 HydrophobicContact CB-CE1 4.39Å; Q445-Y449 WeakPolarHBondContact O-CD2 3.4Å; Q445-Y449 PolarHBondContact O-N 3.21Å; L446-Y449 PolarHBondContact O-N 3.02Å; L446-Y449 VanDerWaalsContact O-N 3.11Å; Y449-N452 PolarHBondContact O-N 2.86Å; Y449-V453 VanDerWaalsContact O-CG1 3.31Å; Y449-V453 WeakPolarHBondContact O-CG1 3.16Å; Y449-V453 PolarHBondContact O-N 2.71Å
450	I	96.6	Very high	91.7	Very high	1 Å²	1	51 Å²	51	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-58.6	-53.8	174	-70.3	167.5	0	0	0	110.6	P175 I177 M416 A419 L446 L447 N452 V453 F465	P175-I450 HydrophobicContact CB-CD1 3.67Å; P175-I450 HydrophobicContact CG-CD1 3.82Å; I177-I450 HydrophobicContact CD1-CD1 4.2Å; I177-I450 HydrophobicContact CD1-CG1 4.3Å; I177-I450 HydrophobicContact CD1-CG2 3.8Å; I177-I450 HydrophobicContact CG1-CG2 4.2Å; M416-I450 HydrophobicContact CE-CD1 4.02Å; M416-I450 HydrophobicContact SD-CD1 3.84Å; M416-I450 HydrophobicContact SD-CG1 4.42Å; A419-I450 HydrophobicContact CB-CB 4.34Å; A419-I450 HydrophobicContact CB-CG1 3.6Å; L446-I450 HydrophobicContact CD1-CD1 4.42Å; L446-I450 HydrophobicContact CD1-CG1 4.34Å; L446-I450 HydrophobicContact CG-CD1 3.92Å; L446-I450 HydrophobicContact CG-CG1 4.33Å; L446-I450 WeakPolarHBondContact O-CG1 3.36Å; L446-I450 PolarHBondContact O-N 3.45Å; L447-I450 PolarHBondContact O-N 3.24Å; I450-N452 PolarHBondContact O-N 3.04Å; I450-N452 VanDerWaalsContact O-N 3.15Å; I450-V453 WeakPolarHBondContact O-CG2 3.45Å; I450-V453 PolarHBondContact O-N 2.76Å; I450-F465 HydrophobicContact CG2-CD2 4.44Å; I450-F465 HydrophobicContact CG2-CE2 3.86Å; I450-F465 HydrophobicContact CG2-CZ 4.38Å; I450-F465 WeakPolarHBondContact O-CD2 3.37Å; I450-F465 VanDerWaalsContact O-CE2 3.26Å; I450-F465 WeakPolarHBondContact O-CE2 3.49Å
451	R	94.8	Very high	91.6	Very high	53 Å²	53	48.8 Å²	48.8	20%	0.2	27%	0.271	C	S	.	.	H	α-helix	trans	-63	-22.5	-178.3	-70.1	-175.8	-176.8	-144.6	2.1	113.5	N189 D193 L447 E467	N189-R451 VanDerWaalsContact OD1-CZ 3.3Å; N189-R451 PolarHBondContact OD1-NH1 3.23Å; N189-R451 PolarHBondContact OD1-NH2 2.98Å; D193-R451 PolarHBondContact O-NH2 3.13Å; L447-R451 WeakPolarHBondContact O-CG 3.35Å; L447-R451 PolarHBondContact O-N 3.26Å; R451-E467 PolarHBondContact NH1-O 3.07Å
452	N	95.9	Very high	91.6	Very high	135 Å²	135	50.6 Å²	50.6	72%	0.722	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	6.3	-179.8	-70.9	-2.3	0	0	0	114.8	K448 Y449 I450	K448-N452 WeakPolarHBondContact O-CB 3.28Å; K448-N452 PolarHBondContact O-N 3.23Å; Y449-N452 PolarHBondContact O-N 2.86Å; I450-N452 PolarHBondContact O-N 3.04Å; I450-N452 VanDerWaalsContact O-N 3.15Å
453	V	95.3	Very high	91.7	Very high	13 Å²	13	48.4 Å²	48.4	8%	0.079	27%	0.272	C	S	.	.			trans	-67.9	140.9	177.3	-56.2	0	0	0	0	112	A415 H418 A419 Y449 I450 F455 F465	A415-V453 HydrophobicContact CB-CG2 4.25Å; H418-V453 HydrophobicContact CB-CG1 4.34Å; A419-V453 HydrophobicContact CB-CG1 3.97Å; Y449-V453 VanDerWaalsContact O-CG1 3.31Å; Y449-V453 WeakPolarHBondContact O-CG1 3.16Å; Y449-V453 PolarHBondContact O-N 2.71Å; I450-V453 WeakPolarHBondContact O-CG2 3.45Å; I450-V453 PolarHBondContact O-N 2.76Å; V453-F455 HydrophobicContact CB-CD1 4.23Å; V453-F455 HydrophobicContact CB-CE1 4.4Å; V453-F455 HydrophobicContact CG2-CD1 4.25Å; V453-F455 HydrophobicContact CG2-CE1 4.03Å; V453-F465 HydrophobicContact CG2-CD2 3.91Å; V453-F465 HydrophobicContact CG2-CE2 3.55Å
454	N	95.2	Very high	91.8	Very high	128 Å²	128	50 Å²	50	68%	0.684	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.8	107.5	170.1	-178.7	5	0	0	0	108.4	T464	N454-T464 HydrophobicContact CB-CG2 4.01Å; N454-T464 WeakPolarHBondContact OD1-CG2 3.4Å
455	F	94.1	Very high	91.8	Very high	21 Å²	21	49.1 Å²	49.1	9%	0.092	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	162.6	179.8	67.9	-80.3	0	0	0	110.6	A415 H418 V453 P462 V463	A415-F455 HydrophobicContact CB-CE1 3.97Å; A415-F455 HydrophobicContact CB-CZ 4.18Å; H418-F455 HydrophobicContact CB-CD1 4.47Å; H418-F455 AromaticContact CD2-CD1 3.59Å; H418-F455 AromaticContact CD2-CD2 3.51Å; H418-F455 AromaticContact CD2-CE1 3.89Å; H418-F455 AromaticContact CD2-CE2 3.83Å; H418-F455 AromaticContact CD2-CG 3.39Å; H418-F455 WeakPolarHBondContact CD2-CG 3.49Å; H418-F455 AromaticContact NE2-CD2 3.51Å; H418-F455 AromaticContact NE2-CG 3.66Å; V453-F455 HydrophobicContact CB-CD1 4.23Å; V453-F455 HydrophobicContact CB-CE1 4.4Å; V453-F455 HydrophobicContact CG2-CD1 4.25Å; V453-F455 HydrophobicContact CG2-CE1 4.03Å; F455-P462 CarbonylContact O-C 3.55Å; F455-P462 WeakPolarHBondContact O-CA 3.46Å; F455-V463 HydrophobicContact CD1-CB 4.1Å; F455-V463 HydrophobicContact CE1-CB 3.58Å; F455-V463 HydrophobicContact CE1-CG1 3.62Å; F455-V463 HydrophobicContact CE1-CG2 4.36Å; F455-V463 HydrophobicContact CE2-CB 4.05Å; F455-V463 HydrophobicContact CE2-CG2 3.96Å; F455-V463 HydrophobicContact CZ-CB 3.56Å; F455-V463 HydrophobicContact CZ-CG1 3.66Å; F455-V463 HydrophobicContact CZ-CG2 3.82Å; F455-V463 PolarHBondContact N-O 2.93Å; F455-V463 PolarHBondContact O-N 2.89Å
456	S	91.9	Very high	91.7	Very high	81 Å²	81	48.3 Å²	48.3	57%	0.566	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.9	169.2	-167.2	0	0	0	0	108.9	G460	S456-G460 WeakPolarHBondContact OG-CA 3.38Å; S456-G460 PolarHBondContact OG-O 3.34Å
457	G	85.7	Confident	91.4	Very high	6 Å²	6	56.6 Å²	56.6	6%	0.062	31%	0.309	C	S	.	.			trans	-67.8	170.1	175.7	0	0	0	0	0	112	A459 G460 N461	G457-A459 PolarHBondContact O-N 2.98Å; G457-G460 PolarHBondContact O-N 3.31Å; G457-N461 PolarHBondContact N-O 2.9Å
458	I	84.3	Confident	91.2	Very high	65 Å²	65	58.6 Å²	58.6	33%	0.333	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.9	-177.2	-56.9	-172.3	0	0	0	112.4	F84 V341 I410 Y414 G460	F84-I458 HydrophobicContact CE1-CD1 4.45Å; V341-I458 HydrophobicContact CG1-CG2 3.93Å; I410-I458 HydrophobicContact CG2-CD1 3.84Å; I410-I458 HydrophobicContact CG2-CG1 4.22Å; Y414-I458 HydrophobicContact CE2-CD1 3.74Å; Y414-I458 HydrophobicContact CE2-CG1 4.3Å; I458-G460 VanDerWaalsContact C-N 3.35Å
459	A	78.6	Confident	91.1	Very high	26 Å²	26	51.9 Å²	51.9	22%	0.215	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-2.2	174.6	0	0	0	0	0	115.6	M339 Q407 G457 N461	M339-A459 HydrophobicContact CB-CB 4.03Å; Q407-A459 VanDerWaalsContact CD-CB 3.48Å; Q407-A459 HydrophobicContact CG-CB 3.69Å; G457-A459 PolarHBondContact O-N 2.98Å; A459-N461 PolarHBondContact O-N 2.8Å
460	G	81.4	Confident	91	Very high	52 Å²	52	49.6 Å²	49.6	54%	0.536	28%	0.282	S	S	.	.	S	Bend	trans	80.5	-8.3	-174.6	0	0	0	0	0	115	S456 G457 I458	S456-G460 WeakPolarHBondContact OG-CA 3.38Å; S456-G460 PolarHBondContact OG-O 3.34Å; G457-G460 PolarHBondContact O-N 3.31Å; I458-G460 VanDerWaalsContact C-N 3.35Å
461	N	83.4	Confident	90.8	Very high	37 Å²	37	50.1 Å²	50.1	20%	0.198	29%	0.287	C	S	.	.			trans	-72.4	137.5	174	-71.1	-56	0	0	0	110.6	G457 A459	G457-N461 PolarHBondContact N-O 2.9Å; A459-N461 PolarHBondContact O-N 2.8Å
462	P	89.9	Confident	90.7	Very high	59 Å²	59	50 Å²	50	38%	0.383	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	136.2	171.3	30.3	-34.1	0	0	0	110.6	F455	F455-P462 CarbonylContact O-C 3.55Å; F455-P462 WeakPolarHBondContact O-CA 3.46Å
463	V	93.2	Very high	90.4	Very high	10 Å²	10	43.7 Å²	43.7	6%	0.061	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.1	177.4	-177.2	0	0	0	0	108.2	V198 D411 F455	V198-V463 HydrophobicContact CG1-CG1 4Å; D411-V463 HydrophobicContact CB-CG2 3.94Å; F455-V463 HydrophobicContact CD1-CB 4.1Å; F455-V463 HydrophobicContact CE1-CB 3.58Å; F455-V463 HydrophobicContact CE1-CG1 3.62Å; F455-V463 HydrophobicContact CE1-CG2 4.36Å; F455-V463 HydrophobicContact CE2-CB 4.05Å; F455-V463 HydrophobicContact CE2-CG2 3.96Å; F455-V463 HydrophobicContact CZ-CB 3.56Å; F455-V463 HydrophobicContact CZ-CG1 3.66Å; F455-V463 HydrophobicContact CZ-CG2 3.82Å; F455-V463 PolarHBondContact N-O 2.93Å; F455-V463 PolarHBondContact O-N 2.89Å
464	T	94.5	Very high	90.3	Very high	42 Å²	42	47.6 Å²	47.6	26%	0.258	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	148	-176.1	54.8	0	0	0	0	109.5	N454 P472	N454-T464 HydrophobicContact CB-CG2 4.01Å; N454-T464 WeakPolarHBondContact OD1-CG2 3.4Å; T464-P472 WeakPolarHBondContact O-CD 3.36Å
465	F	95.1	Very high	90.2	Very high	24 Å²	24	41.6 Å²	41.6	11%	0.105	24%	0.241	C	C	.	.			trans	-107	156.4	174	-54.3	-74	0	0	0	112	I177 R197 V198 A415 I450 V453 G469 D470	I177-F465 HydrophobicContact CG2-CZ 4.37Å; R197-F465 WeakPolarHBondContact O-CE1 3.44Å; V198-F465 HydrophobicContact CG1-CE1 3.8Å; V198-F465 HydrophobicContact CG1-CZ 3.83Å; A415-F465 HydrophobicContact CB-CE2 4.35Å; A415-F465 HydrophobicContact CB-CZ 4.19Å; I450-F465 HydrophobicContact CG2-CD2 4.44Å; I450-F465 HydrophobicContact CG2-CE2 3.86Å; I450-F465 HydrophobicContact CG2-CZ 4.38Å; I450-F465 WeakPolarHBondContact O-CD2 3.37Å; I450-F465 VanDerWaalsContact O-CE2 3.26Å; I450-F465 WeakPolarHBondContact O-CE2 3.49Å; V453-F465 HydrophobicContact CG2-CD2 3.91Å; V453-F465 HydrophobicContact CG2-CE2 3.55Å; F465-G469 VanDerWaalsContact CD1-O 3.3Å; F465-G469 WeakPolarHBondContact CD1-O 3.28Å; F465-D470 CarbonylContact C-O 3.48Å; F465-D470 WeakPolarHBondContact CA-O 3.48Å
466	N	92.3	Very high	90.3	Very high	49 Å²	49	41.7 Å²	41.7	26%	0.262	24%	0.242	S	C	.	.			trans	-89.5	-177.1	166.3	74.1	5.2	0	0	0	111.5	N468 G469 D470	N466-N468 PolarHBondContact O-N 2.82Å; N466-N468 VanDerWaalsContact O-N 3.09Å; N466-N468 WeakPolarHBondContact OD1-CA 3.43Å; N466-N468 WeakPolarHBondContact OD1-CB 3.42Å; N466-N468 PolarHBondContact OD1-N 2.98Å; N466-G469 PolarHBondContact O-N 3.39Å; N466-G469 PolarHBondContact OD1-N 2.81Å; N466-D470 PolarHBondContact N-O 3.41Å; N466-D470 WeakPolarHBondContact OD1-CB 3.43Å; N466-D470 PolarHBondContact OD1-N 2.78Å; N466-D470 PolarHBondContact OD1-O 2.92Å
467	E	90.2	Very high	90.5	Very high	174 Å²	174	37.9 Å²	37.9	81%	0.813	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.4	179	-59.2	-176.9	159.7	0	0	114.2	N189 R451	N189-E467 PolarHBondContact ND2-O 3.37Å; R451-E467 PolarHBondContact NH1-O 3.07Å
468	N	91.4	Very high	90.9	Very high	63 Å²	63	39.3 Å²	39.3	34%	0.337	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	2	177	-62.5	-23.6	0	0	0	113.5	N189 N466 D470	N189-N468 PolarHBondContact ND2-OD1 2.92Å; N466-N468 PolarHBondContact O-N 2.82Å; N466-N468 VanDerWaalsContact O-N 3.09Å; N466-N468 WeakPolarHBondContact OD1-CA 3.43Å; N466-N468 WeakPolarHBondContact OD1-CB 3.42Å; N466-N468 PolarHBondContact OD1-N 2.98Å; N468-D470 VanDerWaalsContact C-N 3.31Å
469	G	92.4	Very high	91.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	77.4	12.5	-175.2	0	0	0	0	0	114.1	S196 R197 F465 N466	S196-G469 CarbonylContact C-O 3.54Å; S196-G469 VanDerWaalsContact CA-O 3.28Å; S196-G469 WeakPolarHBondContact CA-O 3.46Å; S196-G469 WeakPolarHBondContact CB-O 3.07Å; R197-G469 PolarHBondContact N-O 2.95Å; F465-G469 VanDerWaalsContact CD1-O 3.3Å; F465-G469 WeakPolarHBondContact CD1-O 3.28Å; N466-G469 PolarHBondContact O-N 3.39Å; N466-G469 PolarHBondContact OD1-N 2.81Å
470	D	94.9	Very high	92.2	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-90.1	145.3	177.7	-56.9	-56.2	0	0	0	112	S187 R197 F465 N466 N468	S187-D470 WeakPolarHBondContact CB-OD2 3.41Å; S187-D470 VanDerWaalsContact OG-CG 3.27Å; S187-D470 PolarHBondContact OG-OD1 3.04Å; S187-D470 VanDerWaalsContact OG-OD1 3.12Å; S187-D470 PolarHBondContact OG-OD2 3.15Å; R197-D470 IonicContact CZ-OD1 2.7Å; R197-D470 IonicContact NE-OD1 3.43Å; R197-D470 PolarHBondContact NE-OD1 3.16Å; R197-D470 IonicContact NH2-OD1 2.69Å; R197-D470 PolarHBondContact NH2-OD1 3.32Å; F465-D470 CarbonylContact C-O 3.48Å; F465-D470 WeakPolarHBondContact CA-O 3.48Å; N466-D470 PolarHBondContact N-O 3.41Å; N466-D470 WeakPolarHBondContact OD1-CB 3.43Å; N466-D470 PolarHBondContact OD1-N 2.78Å; N466-D470 PolarHBondContact OD1-O 2.92Å; N468-D470 VanDerWaalsContact C-N 3.31Å
471	A	93.4	Very high	92.6	Very high	12 Å²	12	33.2 Å²	33.2	10%	0.099	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-73.5	149.9	163.9	0	0	0	0	0	112	R197 P200	R197-A471 PolarHBondContact O-N 2.82Å; R197-A471 VanDerWaalsContact O-N 3.08Å; P200-A471 WeakPolarHBondContact CA-O 3.34Å
472	P	92.1	Very high	92.8	Very high	50 Å²	50	34.1 Å²	34.1	33%	0.325	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-67.8	146	-179.1	26.9	-35.1	0	0	0	113.4	T464 R474	T464-P472 WeakPolarHBondContact O-CD 3.36Å; P472-R474 PolarHBondContact O-N 2.89Å
473	G	89.9	Confident	92.3	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.021	19%	0.188	C	C	.	.			trans	-66.4	112.4	-178.4	0	0	0	0	0	113.6	W495	G473-W495 WeakPolarHBondContact O-CZ3 3.42Å
474	R	92.1	Very high	91.2	Very high	96 Å²	96	46.2 Å²	46.2	36%	0.362	22%	0.223	S	C	.	.			trans	-140.8	117.5	173.8	-59.5	-175.9	179.8	165.2	2.8	109.4	P336 K337 P472 T496	P336-R474 WeakPolarHBondContact CA-O 3.03Å; K337-R474 HydrophobicContact CB-CB 4.14Å; K337-R474 PolarHBondContact N-O 3.08Å; P472-R474 PolarHBondContact O-N 2.89Å; R474-T496 HydrophobicContact CB-CG2 4.32Å; R474-T496 HydrophobicContact CG-CG2 4.15Å
475	Y	94.5	Very high	89.9	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143.1	-176.1	-56.6	-92.1	0	0	0	112	P200 S201 Q205 A208 L335 P336 S494 W495	P200-Y475 HydrophobicContact CG-CE1 4.09Å; P200-Y475 HydrophobicContact CG-CE2 4.4Å; P200-Y475 WeakPolarHBondContact CG-OH 3.24Å; S201-Y475 PolarHBondContact O-OH 3.36Å; Q205-Y475 HydrophobicContact CB-CE1 4.16Å; Q205-Y475 HydrophobicContact CG-CE1 4.27Å; Q205-Y475 PolarHBondContact N-OH 2.92Å; A208-Y475 HydrophobicContact CB-CD2 4.47Å; L335-Y475 CarbonylContact O-C 3.56Å; L335-Y475 WeakPolarHBondContact O-CA 3.28Å; L335-Y475 WeakPolarHBondContact O-CB 3.41Å; P336-Y475 HydrophobicContact CG-CD1 4.3Å; P336-Y475 HydrophobicContact CG-CE1 4.03Å; Y475-S494 CarbonylContact O-C 3.56Å; Y475-S494 WeakPolarHBondContact O-CA 3.49Å; Y475-W495 AromaticContact CD2-CE3 3.85Å; Y475-W495 HydrophobicContact CD2-CE3 3.85Å; Y475-W495 HydrophobicContact CD2-CZ3 4.46Å; Y475-W495 HydrophobicContact CE2-CE3 4.29Å; Y475-W495 HydrophobicContact CE2-CZ3 4.46Å; Y475-W495 PolarHBondContact N-O 2.9Å; Y475-W495 PolarHBondContact O-N 3.46Å
476	D	94.6	Very high	89.2	Confident	23 Å²	23	54.7 Å²	54.7	12%	0.123	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	140.3	163.9	-61.3	-57.6	0	0	0	108.5	L335 K337 Y478	L335-D476 PolarHBondContact N-O 2.83Å; L335-D476 VanDerWaalsContact N-O 3.07Å; L335-D476 PolarHBondContact O-N 2.61Å; K337-D476 VanDerWaalsContact CG-OD2 3.27Å; K337-D476 WeakPolarHBondContact CG-OD2 3.37Å; K337-D476 IonicContact NZ-OD1 3.53Å; K337-D476 PolarHBondContact NZ-OD1 2.86Å; K337-D476 VanDerWaalsContact NZ-OD1 3.08Å; K337-D476 IonicContact NZ-OD2 2.68Å; D476-Y478 HydrophobicContact CB-CE2 3.92Å
477	I	96.5	Very high	88.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.4	-170.7	-51.6	166.9	0	0	0	109.1	I212 V332 I334 V491 I492 G493 W495 L499 L501	I212-I477 HydrophobicContact CD1-CD1 3.82Å; I212-I477 HydrophobicContact CD1-CG1 4.2Å; I212-I477 HydrophobicContact CD1-CG2 4.01Å; I212-I477 HydrophobicContact CG1-CD1 4.14Å; V332-I477 HydrophobicContact CG1-CG2 3.97Å; I334-I477 HydrophobicContact CG2-CG1 4.22Å; I334-I477 HydrophobicContact CG2-CG2 4.27Å; I477-V491 WeakPolarHBondContact O-CA 3.39Å; I477-I492 HydrophobicContact CB-CG1 4.39Å; I477-I492 HydrophobicContact CG2-CD1 4.02Å; I477-I492 HydrophobicContact CG2-CG1 3.91Å; I477-I492 WeakPolarHBondContact O-CG1 3.49Å; I477-I492 PolarHBondContact O-N 3.45Å; I477-G493 PolarHBondContact N-O 3.21Å; I477-G493 PolarHBondContact O-N 3.01Å; I477-W495 HydrophobicContact CD1-CB 4.43Å; I477-L499 HydrophobicContact CD1-CD1 3.25Å; I477-L501 HydrophobicContact CD1-CD1 4.33Å; I477-L501 HydrophobicContact CG2-CD1 4.26Å
478	Y	95.3	Very high	88.9	Confident	37 Å²	37	50 Å²	50	15%	0.145	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	154.1	-175.8	-63.7	-99.7	0	0	0	110.9	V332 T333 L335 D476 K490 V491	V332-Y478 WeakPolarHBondContact CA-O 3.26Å; T333-Y478 PolarHBondContact N-O 2.83Å; T333-Y478 PolarHBondContact O-N 3Å; L335-Y478 HydrophobicContact CB-CE2 4.13Å; L335-Y478 HydrophobicContact CD1-CD2 4.42Å; L335-Y478 HydrophobicContact CD1-CE2 3.9Å; L335-Y478 HydrophobicContact CG-CE2 4.41Å; D476-Y478 HydrophobicContact CB-CE2 3.92Å; Y478-K490 CarbonylContact C-O 3.48Å; Y478-K490 VanDerWaalsContact CA-O 3.27Å; Y478-K490 WeakPolarHBondContact CA-O 3.25Å; Y478-V491 HydrophobicContact CD1-CG2 3.93Å; Y478-V491 HydrophobicContact CE1-CG2 3.45Å; Y478-V491 VanDerWaalsContact CE1-CG2 3.45Å
479	Q	94.8	Very high	88.9	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141.1	160	-158	-175.9	25.8	0	0	109.4	G330 A331 V332 Q481 K490 I492 M506 H507	G330-Q479 WeakPolarHBondContact O-CG 3.29Å; G330-Q479 PolarHBondContact O-NE2 2.89Å; A331-Q479 CarbonylContact O-C 3.54Å; A331-Q479 VanDerWaalsContact O-CA 3.32Å; A331-Q479 WeakPolarHBondContact O-CA 3.45Å; A331-Q479 WeakPolarHBondContact O-CG 3.39Å; V332-Q479 HydrophobicContact CG2-CG 4.22Å; Q479-Q481 HydrophobicContact CB-CG 4.36Å; Q479-Q481 HydrophobicContact CG-CG 4.46Å; Q479-K490 PolarHBondContact N-O 3.42Å; Q479-K490 PolarHBondContact O-N 3.03Å; Q479-I492 HydrophobicContact CB-CD1 4.08Å; Q479-I492 HydrophobicContact CB-CG1 4.42Å; Q479-I492 HydrophobicContact CB-CG2 3.89Å; Q479-M506 VanDerWaalsContact OE1-CA 3.25Å; Q479-H507 PolarHBondContact NE2-O 3.09Å; Q479-H507 PolarHBondContact OE1-O 2.8Å
480	Y	94	Very high	88.9	Confident	2 Å²	2	52 Å²	52	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120.9	168.5	-162.4	-115.5	0	0	0	109.7	V321 E325 A328 G330 A331 L482 A487 Y489	V321-Y480 HydrophobicContact CG2-CE2 4.07Å; E325-Y480 HydrophobicContact CB-CE1 4.11Å; E325-Y480 HydrophobicContact CG-CE1 4.44Å; E325-Y480 WeakPolarHBondContact CG-OH 3.39Å; A328-Y480 HydrophobicContact CB-CD1 3.69Å; A328-Y480 HydrophobicContact CB-CE1 3.94Å; G330-Y480 WeakPolarHBondContact CA-O 3.37Å; G330-Y480 PolarHBondContact N-O 3.29Å; A331-Y480 PolarHBondContact O-N 3.24Å; Y480-L482 HydrophobicContact CD1-CD1 4.4Å; Y480-L482 HydrophobicContact CE1-CD1 3.95Å; Y480-A487 HydrophobicContact CE1-CB 4.24Å; Y480-A487 HydrophobicContact CE2-CB 4.31Å; Y480-A487 VanDerWaalsContact OH-CB 3.3Å; Y480-A487 WeakPolarHBondContact OH-CB 3.38Å; Y480-Y489 AromaticContact CD2-CD1 3.88Å; Y480-Y489 HydrophobicContact CD2-CD1 3.88Å; Y480-Y489 AromaticContact CD2-CD2 3.88Å; Y480-Y489 HydrophobicContact CD2-CD2 3.88Å; Y480-Y489 AromaticContact CD2-CE1 3.54Å; Y480-Y489 HydrophobicContact CD2-CE1 3.54Å; Y480-Y489 AromaticContact CD2-CE2 3.55Å; Y480-Y489 HydrophobicContact CD2-CE2 3.55Å; Y480-Y489 HydrophobicContact CD2-CG 4.01Å; Y480-Y489 AromaticContact CD2-CZ 3.33Å; Y480-Y489 HydrophobicContact CE2-CD2 4.11Å; Y480-Y489 HydrophobicContact CE2-CE1 4.48Å; Y480-Y489 AromaticContact CE2-CE2 3.69Å; Y480-Y489 HydrophobicContact CE2-CE2 3.69Å; Y480-Y489 AromaticContact CE2-CZ 3.87Å; Y480-Y489 HydrophobicContact CG-CE1 4.05Å
481	Q	91.3	Very high	88.9	Confident	12 Å²	12	54.9 Å²	54.9	6%	0.056	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.1	-176.9	-63.6	-172.9	-3	0	0	110.6	Q479 A487 E488 R505 H507	Q479-Q481 HydrophobicContact CB-CG 4.36Å; Q479-Q481 HydrophobicContact CG-CG 4.46Å; Q481-A487 WeakPolarHBondContact O-CA 3.04Å; Q481-E488 PolarHBondContact N-O 2.78Å; Q481-E488 PolarHBondContact O-N 2.95Å; Q481-R505 PolarHBondContact NE2-O 2.92Å; Q481-H507 HydrophobicContact CG-CB 4.26Å
482	L	87.4	Confident	89	Confident	57 Å²	57	54.3 Å²	54.3	30%	0.298	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	139.6	164.6	-94.7	64	0	0	0	109.6	E325 E329 Y480 A487	E325-L482 HydrophobicContact CB-CD1 4.25Å; E329-L482 HydrophobicContact CG-CB 4.36Å; E329-L482 HydrophobicContact CG-CD1 4.34Å; Y480-L482 HydrophobicContact CD1-CD1 4.4Å; Y480-L482 HydrophobicContact CE1-CD1 3.95Å; L482-A487 HydrophobicContact CD1-CB 3.72Å; L482-A487 HydrophobicContact CG-CB 4.19Å
483	R	78.8	Confident	89.1	Confident	170 Å²	170	52.1 Å²	52.1	64%	0.642	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.8	108.6	176.8	-171.8	179.7	-174.8	-135	-2.4	110.4	D485 S486	R483-D485 PolarHBondContact O-N 3.21Å; R483-S486 PolarHBondContact N-O 3.3Å; R483-S486 PolarHBondContact O-N 3.49Å; R483-S486 VanDerWaalsContact O-N 3.12Å; R483-S486 PolarHBondContact O-OG 3.19Å
484	N	69.1	Low	89.4	Confident	152 Å²	152	53.7 Å²	53.7	81%	0.813	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	61.6	177.7	-58.6	19.8	0	0	0	111.6	S486	N484-S486 PolarHBondContact O-N 3.4Å
485	D	68.1	Low	89.6	Confident	177 Å²	177	49.3 Å²	49.3	95%	0.947	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	-0.2	-179.6	-49.4	-26	0	0	0	116.7	R483	R483-D485 PolarHBondContact O-N 3.21Å
486	S	80.3	Confident	89.5	Confident	68 Å²	68	52.2 Å²	52.2	48%	0.476	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	142.1	165	71.8	0	0	0	0	111.2	R483 N484	R483-S486 PolarHBondContact N-O 3.3Å; R483-S486 PolarHBondContact O-N 3.49Å; R483-S486 VanDerWaalsContact O-N 3.12Å; R483-S486 PolarHBondContact O-OG 3.19Å; N484-S486 PolarHBondContact O-N 3.4Å
487	A	85.6	Confident	89.1	Confident	40 Å²	40	56.3 Å²	56.3	33%	0.331	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.2	179.3	0	0	0	0	0	110.3	Y480 Q481 L482	Y480-A487 HydrophobicContact CE1-CB 4.24Å; Y480-A487 HydrophobicContact CE2-CB 4.31Å; Y480-A487 VanDerWaalsContact OH-CB 3.3Å; Y480-A487 WeakPolarHBondContact OH-CB 3.38Å; Q481-A487 WeakPolarHBondContact O-CA 3.04Å; L482-A487 HydrophobicContact CD1-CB 3.72Å; L482-A487 HydrophobicContact CG-CB 4.19Å
488	E	90.5	Very high	88.9	Confident	85 Å²	85	62.8 Å²	62.8	40%	0.397	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	150.2	-171.9	64.2	171.1	-168.2	0	0	113.8	Q481 K490	Q481-E488 PolarHBondContact N-O 2.78Å; Q481-E488 PolarHBondContact O-N 2.95Å; E488-K490 IonicContact OE1-NZ 3.44Å
489	Y	91.8	Very high	88.9	Confident	39 Å²	39	62.9 Å²	62.9	15%	0.153	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	105.6	166.9	-81.4	-72	0	0	0	110.3	W314 G315 S316 K317 V321 Y480	W314-Y489 AromaticContact NE1-CZ 3.88Å; W314-Y489 PolarHBondContact NE1-OH 2.8Å; G315-Y489 WeakPolarHBondContact O-CE1 3.43Å; S316-Y489 VanDerWaalsContact C-CD2 3.46Å; S316-Y489 VanDerWaalsContact O-CD2 3.31Å; S316-Y489 WeakPolarHBondContact O-CD2 3.47Å; K317-Y489 WeakPolarHBondContact O-CE2 3.4Å; V321-Y489 WeakPolarHBondContact CG1-OH 3.08Å; V321-Y489 HydrophobicContact CG2-CE2 4.36Å; Y480-Y489 AromaticContact CD2-CD1 3.88Å; Y480-Y489 HydrophobicContact CD2-CD1 3.88Å; Y480-Y489 AromaticContact CD2-CD2 3.88Å; Y480-Y489 HydrophobicContact CD2-CD2 3.88Å; Y480-Y489 AromaticContact CD2-CE1 3.54Å; Y480-Y489 HydrophobicContact CD2-CE1 3.54Å; Y480-Y489 AromaticContact CD2-CE2 3.55Å; Y480-Y489 HydrophobicContact CD2-CE2 3.55Å; Y480-Y489 HydrophobicContact CD2-CG 4.01Å; Y480-Y489 AromaticContact CD2-CZ 3.33Å; Y480-Y489 HydrophobicContact CE2-CD2 4.11Å; Y480-Y489 HydrophobicContact CE2-CE1 4.48Å; Y480-Y489 AromaticContact CE2-CE2 3.69Å; Y480-Y489 HydrophobicContact CE2-CE2 3.69Å; Y480-Y489 AromaticContact CE2-CZ 3.87Å; Y480-Y489 HydrophobicContact CG-CE1 4.05Å
490	K	92.6	Very high	88.9	Confident	64 Å²	64	68.3 Å²	68.3	28%	0.278	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.4	-170.7	-166.7	-177.7	-158.5	151.8	0	112	Y478 Q479 E488 I492	Y478-K490 CarbonylContact C-O 3.48Å; Y478-K490 VanDerWaalsContact CA-O 3.27Å; Y478-K490 WeakPolarHBondContact CA-O 3.25Å; Q479-K490 PolarHBondContact N-O 3.42Å; Q479-K490 PolarHBondContact O-N 3.03Å; E488-K490 IonicContact OE1-NZ 3.44Å; K490-I492 PolarHBondContact O-N 2.98Å
491	V	93.9	Very high	88.9	Confident	65 Å²	65	69.7 Å²	69.7	39%	0.394	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	111.8	177.7	-177.1	0	0	0	0	110.4	I477 Y478	I477-V491 WeakPolarHBondContact O-CA 3.39Å; Y478-V491 HydrophobicContact CD1-CG2 3.93Å; Y478-V491 HydrophobicContact CE1-CG2 3.45Å; Y478-V491 VanDerWaalsContact CE1-CG2 3.45Å
492	I	94.9	Very high	88.9	Confident	0 Å²	0	76 Å²	76	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-17.2	177.8	58.2	161.4	0	0	0	112.8	V332 I477 Q479 K490 L501 R502 R505 M506	V332-I492 HydrophobicContact CG1-CD1 4.41Å; I477-I492 HydrophobicContact CB-CG1 4.39Å; I477-I492 HydrophobicContact CG2-CD1 4.02Å; I477-I492 HydrophobicContact CG2-CG1 3.91Å; I477-I492 WeakPolarHBondContact O-CG1 3.49Å; I477-I492 PolarHBondContact O-N 3.45Å; Q479-I492 HydrophobicContact CB-CD1 4.08Å; Q479-I492 HydrophobicContact CB-CG1 4.42Å; Q479-I492 HydrophobicContact CB-CG2 3.89Å; K490-I492 PolarHBondContact O-N 2.98Å; I492-L501 HydrophobicContact CD1-CD1 3.78Å; I492-L501 HydrophobicContact CG1-CD1 4.13Å; I492-R502 VanDerWaalsContact O-CB 3.29Å; I492-R502 WeakPolarHBondContact O-CB 3.35Å; I492-R502 WeakPolarHBondContact O-CG 3.22Å; I492-R502 PolarHBondContact O-N 3.17Å; I492-R505 HydrophobicContact CG2-CB 4.4Å; I492-M506 HydrophobicContact CB-CG 4.31Å; I492-M506 HydrophobicContact CD1-CE 3.62Å; I492-M506 HydrophobicContact CD1-CG 3.94Å; I492-M506 HydrophobicContact CD1-SD 3.88Å; I492-M506 HydrophobicContact CG2-CG 4.13Å
493	G	95.2	Very high	89	Confident	4 Å²	4	76.7 Å²	76.7	4%	0.041	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	-174.9	-179.4	0	0	0	0	0	114	I477 H500	I477-G493 PolarHBondContact N-O 3.21Å; I477-G493 PolarHBondContact O-N 3.01Å; G493-H500 CarbonylContact C-O 3.51Å; G493-H500 WeakPolarHBondContact CA-O 3.4Å
494	S	95.7	Very high	89.4	Confident	34 Å²	34	76.5 Å²	76.5	24%	0.238	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	156.8	172.9	56.1	0	0	0	0	110.4	Y475 H500	Y475-S494 CarbonylContact O-C 3.56Å; Y475-S494 WeakPolarHBondContact O-CA 3.49Å; S494-H500 PolarHBondContact N-O 3.47Å; S494-H500 PolarHBondContact O-N 3.49Å
495	W	95.9	Very high	90.3	Very high	5 Å²	5	75.3 Å²	75.3	2%	0.019	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	127.1	176.4	-171.1	99.8	0	0	0	110.2	Y204 Q207 A208 D211 G473 Y475 I477 D497 H498	Y204-W495 HydrophobicContact CD1-CH2 4.17Å; Q207-W495 HydrophobicContact CB-CZ2 4.25Å; Q207-W495 HydrophobicContact CG-CZ2 3.88Å; A208-W495 HydrophobicContact CB-CB 4.14Å; A208-W495 HydrophobicContact CB-CD2 3.82Å; A208-W495 HydrophobicContact CB-CG 3.62Å; D211-W495 PolarHBondContact OD2-NE1 3.35Å; G473-W495 WeakPolarHBondContact O-CZ3 3.42Å; Y475-W495 AromaticContact CD2-CE3 3.85Å; Y475-W495 HydrophobicContact CD2-CE3 3.85Å; Y475-W495 HydrophobicContact CD2-CZ3 4.46Å; Y475-W495 HydrophobicContact CE2-CE3 4.29Å; Y475-W495 HydrophobicContact CE2-CZ3 4.46Å; Y475-W495 PolarHBondContact N-O 2.9Å; Y475-W495 PolarHBondContact O-N 3.46Å; I477-W495 HydrophobicContact CD1-CB 4.43Å; W495-D497 VanDerWaalsContact CZ3-N 3.34Å; W495-H498 WeakPolarHBondContact CA-O 3.34Å
496	T	92.4	Very high	91.3	Very high	62 Å²	62	67.1 Å²	67.1	38%	0.38	33%	0.334	S	S	.	.	S	Bend	trans	-148.4	84.9	176.6	50.4	0	0	0	0	107.3	R474 H498	R474-T496 HydrophobicContact CB-CG2 4.32Å; R474-T496 HydrophobicContact CG-CG2 4.15Å; T496-H498 PolarHBondContact N-O 3.27Å; T496-H498 VanDerWaalsContact N-O 3.12Å; T496-H498 PolarHBondContact O-N 2.84Å
497	D	87	Confident	91.7	Very high	109 Å²	109	67.5 Å²	67.5	58%	0.583	33%	0.328	S	S	*	.	S	Bend	trans	61.1	-24	-167.8	-52.6	-51.9	0	0	0	115.3	W495	W495-D497 VanDerWaalsContact CZ3-N 3.34Å
498	H	91.6	Very high	91.8	Very high	137 Å²	137	65.7 Å²	65.7	63%	0.634	31%	0.312	S	S	*	.	S	Bend	trans	-131.8	152.3	172.8	-61.5	-20.4	0	0	0	111	W495 T496	W495-H498 WeakPolarHBondContact CA-O 3.34Å; T496-H498 PolarHBondContact N-O 3.27Å; T496-H498 VanDerWaalsContact N-O 3.12Å; T496-H498 PolarHBondContact O-N 2.84Å
499	L	95.2	Very high	91.3	Very high	39 Å²	39	62.7 Å²	62.7	20%	0.204	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.2	-179.7	177	61.8	0	0	0	112.9	D211 I212 A215 I477 L501	D211-L499 HydrophobicContact CB-CB 4.01Å; D211-L499 HydrophobicContact CB-CD2 3.89Å; D211-L499 WeakPolarHBondContact O-CD2 3.34Å; I212-L499 HydrophobicContact CB-CD2 4.42Å; I212-L499 HydrophobicContact CG1-CD1 3.78Å; I212-L499 HydrophobicContact CG1-CD2 3.91Å; A215-L499 HydrophobicContact CB-CD2 3.8Å; I477-L499 HydrophobicContact CD1-CD1 3.25Å; L499-L501 HydrophobicContact CD1-CB 4.1Å; L499-L501 HydrophobicContact CD2-CB 4.26Å; L499-L501 HydrophobicContact CG-CB 4.06Å
500	H	95.4	Very high	90.3	Very high	113 Å²	113	65.2 Å²	65.2	52%	0.523	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	87.6	170.1	-64.2	-68.4	0	0	0	111	G493 S494	G493-H500 CarbonylContact C-O 3.51Å; G493-H500 WeakPolarHBondContact CA-O 3.4Å; S494-H500 PolarHBondContact N-O 3.47Å; S494-H500 PolarHBondContact O-N 3.49Å
501	L	93.5	Very high	88.8	Confident	32 Å²	32	65 Å²	65	17%	0.168	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.3	-175.6	-164.9	69.4	0	0	0	112.3	I212 A215 L216 I477 I492 L499 I503 M506	I212-L501 HydrophobicContact CG2-CD2 4.42Å; A215-L501 HydrophobicContact CB-CD2 4.1Å; L216-L501 HydrophobicContact CD2-CD2 4.32Å; I477-L501 HydrophobicContact CD1-CD1 4.33Å; I477-L501 HydrophobicContact CG2-CD1 4.26Å; I492-L501 HydrophobicContact CD1-CD1 3.78Å; I492-L501 HydrophobicContact CG1-CD1 4.13Å; L499-L501 HydrophobicContact CD1-CB 4.1Å; L499-L501 HydrophobicContact CD2-CB 4.26Å; L499-L501 HydrophobicContact CG-CB 4.06Å; L501-I503 HydrophobicContact CD2-CG1 4.37Å; L501-I503 PolarHBondContact O-N 3.44Å; L501-M506 HydrophobicContact CD2-SD 4.33Å
502	R	93	Very high	87.5	Confident	143 Å²	143	63.2 Å²	63.2	54%	0.54	34%	0.34	S	S	.	.			trans	-100	79.4	-179.4	-51.3	-175.8	-157.1	-151.8	5.2	110.7	I492 E504 R505	I492-R502 VanDerWaalsContact O-CB 3.29Å; I492-R502 WeakPolarHBondContact O-CB 3.35Å; I492-R502 WeakPolarHBondContact O-CG 3.22Å; I492-R502 PolarHBondContact O-N 3.17Å; R502-E504 PolarHBondContact O-N 2.85Å; R502-E504 VanDerWaalsContact O-N 3.12Å; R502-R505 HydrophobicContact CB-CG 4.21Å; R502-R505 WeakPolarHBondContact O-CB 3.46Å; R502-R505 PolarHBondContact O-N 2.9Å
503	I	88.1	Confident	86.2	Confident	73 Å²	73	69.9 Å²	69.9	37%	0.374	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-52.7	-37.4	-174.1	-59.1	174.7	0	0	0	112.4	L501 R505 M506 L515	L501-I503 HydrophobicContact CD2-CG1 4.37Å; L501-I503 PolarHBondContact O-N 3.44Å; I503-R505 PolarHBondContact O-N 3.18Å; I503-R505 VanDerWaalsContact O-N 3.11Å; I503-M506 WeakPolarHBondContact O-CB 3.49Å; I503-M506 PolarHBondContact O-N 2.85Å; I503-L515 HydrophobicContact CG2-CD1 4.27Å; I503-L515 HydrophobicContact CG2-CD2 4.16Å; I503-L515 HydrophobicContact CG2-CG 4.28Å
504	E	87.9	Confident	85.3	Confident	165 Å²	165	76 Å²	76	77%	0.771	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-53.9	-29.3	176.5	-63.5	167.7	-174	0	0	114.5	R502 Q513	R502-E504 PolarHBondContact O-N 2.85Å; R502-E504 VanDerWaalsContact O-N 3.12Å; E504-Q513 PolarHBondContact O-NE2 3.01Å
505	R	88.6	Confident	84.7	Confident	127 Å²	127	76.4 Å²	76.4	48%	0.479	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-86.1	-8	180	-65	-173	172.9	-165.2	-7	113.6	Q481 I492 R502 I503	Q481-R505 PolarHBondContact NE2-O 2.92Å; I492-R505 HydrophobicContact CG2-CB 4.4Å; R502-R505 HydrophobicContact CB-CG 4.21Å; R502-R505 WeakPolarHBondContact O-CB 3.46Å; R502-R505 PolarHBondContact O-N 2.9Å; I503-R505 PolarHBondContact O-N 3.18Å; I503-R505 VanDerWaalsContact O-N 3.11Å
506	M	89.3	Confident	84.3	Confident	6 Å²	6	76.6 Å²	76.6	3%	0.03	40%	0.4	C	S	.	.			trans	-80.3	145.9	-179.1	-59.3	-173.6	72.7	0	0	111	L216 V332 Q479 I492 L501 I503 W508	L216-M506 HydrophobicContact CD2-CE 3.96Å; L216-M506 HydrophobicContact CD2-SD 3.9Å; V332-M506 HydrophobicContact CG2-CE 3.71Å; Q479-M506 VanDerWaalsContact OE1-CA 3.25Å; I492-M506 HydrophobicContact CB-CG 4.31Å; I492-M506 HydrophobicContact CD1-CE 3.62Å; I492-M506 HydrophobicContact CD1-CG 3.94Å; I492-M506 HydrophobicContact CD1-SD 3.88Å; I492-M506 HydrophobicContact CG2-CG 4.13Å; L501-M506 HydrophobicContact CD2-SD 4.33Å; I503-M506 WeakPolarHBondContact O-CB 3.49Å; I503-M506 PolarHBondContact O-N 2.85Å; M506-W508 HydrophobicContact CE-CH2 3.97Å; M506-W508 HydrophobicContact CE-CZ2 3.33Å; M506-W508 HydrophobicContact SD-CZ2 4.5Å
507	H	87.9	Confident	84.1	Confident	75 Å²	75	81.4 Å²	81.4	35%	0.347	41%	0.411	S	S	.	.			trans	-125.8	147.8	173.9	-162.6	60.5	0	0	0	109.6	E329 Q479 Q481 G512	E329-H507 IonicContact OE1-CD2 2.8Å; Q479-H507 PolarHBondContact NE2-O 3.09Å; Q479-H507 PolarHBondContact OE1-O 2.8Å; Q481-H507 HydrophobicContact CG-CB 4.26Å; H507-G512 PolarHBondContact ND1-O 2.95Å
508	W	87.4	Confident	84.4	Confident	2 Å²	2	76.2 Å²	76.2	1%	0.008	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-139.6	136.3	-178.1	-61.7	102.7	0	0	0	111.7	L216 W218 F307 G330 V332 M506 G510 S511 G512 P516	L216-W508 HydrophobicContact CD1-CH2 4.29Å; L216-W508 HydrophobicContact CD1-CZ2 4.3Å; L216-W508 HydrophobicContact CD2-CZ2 4.09Å; W218-W508 AromaticContact CH2-CH2 3.96Å; W218-W508 HydrophobicContact CH2-CH2 3.96Å; W218-W508 HydrophobicContact CH2-CZ3 4.48Å; W218-W508 AromaticContact CZ2-CH2 3.74Å; W218-W508 HydrophobicContact CZ2-CH2 3.74Å; W218-W508 HydrophobicContact CZ2-CZ2 4.38Å; W218-W508 HydrophobicContact CZ2-CZ3 4.28Å; F307-W508 HydrophobicContact CB-CZ3 4.27Å; F307-W508 AromaticContact CD1-CE3 3.81Å; F307-W508 HydrophobicContact CD1-CE3 3.81Å; F307-W508 AromaticContact CD1-CZ3 3.87Å; F307-W508 HydrophobicContact CD1-CZ3 3.87Å; F307-W508 HydrophobicContact CE1-CE3 4.22Å; F307-W508 HydrophobicContact CG-CZ3 4.33Å; G330-W508 WeakPolarHBondContact O-CZ3 3.46Å; V332-W508 HydrophobicContact CG2-CH2 3.97Å; M506-W508 HydrophobicContact CE-CH2 3.97Å; M506-W508 HydrophobicContact CE-CZ2 3.33Å; M506-W508 HydrophobicContact SD-CZ2 4.5Å; W508-G510 PolarHBondContact O-N 2.94Å; W508-S511 PolarHBondContact O-N 3.01Å; W508-G512 PolarHBondContact N-O 2.74Å; W508-G512 PolarHBondContact O-N 3.45Å; W508-P516 HydrophobicContact CD2-CG 3.65Å; W508-P516 HydrophobicContact CE3-CG 3.75Å; W508-P516 HydrophobicContact CG-CG 4.18Å; W508-P516 HydrophobicContact CH2-CG 4.04Å; W508-P516 HydrophobicContact CZ2-CG 3.94Å; W508-P516 HydrophobicContact CZ3-CG 3.96Å
509	P	80.3	Confident	84.4	Confident	22 Å²	22	71.7 Å²	71.7	14%	0.143	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	130.6	-176.4	18.4	-31.1	0	0	0	111.9	F307 S511	F307-P509 HydrophobicContact CE1-CG 4.32Å; P509-S511 PolarHBondContact O-N 2.96Å; P509-S511 PolarHBondContact O-OG 3.12Å
510	G	70.8	Confident	84.1	Confident	93 Å²	93	70.6 Å²	70.6	96%	0.959	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	-13	178.5	0	0	0	0	0	117	W508	W508-G510 PolarHBondContact O-N 2.94Å
511	S	60.6	Low	83.8	Confident	58 Å²	58	66.2 Å²	66.2	41%	0.406	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-6.9	-172.7	-50.5	0	0	0	0	113.3	W508 P509 Q513 Q514	W508-S511 PolarHBondContact O-N 3.01Å; P509-S511 PolarHBondContact O-N 2.96Å; P509-S511 PolarHBondContact O-OG 3.12Å; S511-Q513 PolarHBondContact O-N 2.8Å; S511-Q514 PolarHBondContact O-N 2.91Å; S511-Q514 VanDerWaalsContact O-N 3.12Å
512	G	67.8	Low	83.5	Confident	29 Å²	29	70.4 Å²	70.4	30%	0.299	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	64.6	-105.2	179.5	0	0	0	0	0	111.8	H507 W508	H507-G512 PolarHBondContact ND1-O 2.95Å; W508-G512 PolarHBondContact N-O 2.74Å; W508-G512 PolarHBondContact O-N 3.45Å
513	Q	66.5	Low	83.3	Confident	140 Å²	140	68.1 Å²	68.1	65%	0.654	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-4.6	-179.6	-120.4	178.4	-1.3	0	0	113.7	E504 S511 L515	E504-Q513 PolarHBondContact O-NE2 3.01Å; S511-Q513 PolarHBondContact O-N 2.8Å; Q513-L515 PolarHBondContact O-N 2.99Å
514	Q	76.9	Confident	83.4	Confident	132 Å²	132	66 Å²	66	62%	0.617	36%	0.358	S	S	*	.	S	Bend	trans	-77.1	126.4	178.3	-172.6	167.8	75.8	0	0	110.7	S511	S511-Q514 PolarHBondContact O-N 2.91Å; S511-Q514 VanDerWaalsContact O-N 3.12Å
515	L	83.1	Confident	83.5	Confident	42 Å²	42	64.3 Å²	64.3	22%	0.22	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-57.9	128.5	178	-78.5	169.2	0	0	0	111.6	L216 I503 Q513	L216-L515 HydrophobicContact CD2-CD2 3.55Å; I503-L515 HydrophobicContact CG2-CD1 4.27Å; I503-L515 HydrophobicContact CG2-CD2 4.16Å; I503-L515 HydrophobicContact CG2-CG 4.28Å; Q513-L515 PolarHBondContact O-N 2.99Å
516	P	86.4	Confident	83.4	Confident	10 Å²	10	62.2 Å²	62.2	7%	0.065	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-67.8	150.6	177.6	28.9	-36.2	0	0	0	111.3	W218 F307 W508	W218-P516 HydrophobicContact CZ2-CG 3.92Å; W218-P516 PolarHBondContact NE1-O 3.11Å; F307-P516 HydrophobicContact CD1-CB 4.2Å; F307-P516 HydrophobicContact CD1-CG 4.19Å; F307-P516 HydrophobicContact CD2-CB 3.86Å; F307-P516 HydrophobicContact CD2-CG 4.29Å; F307-P516 HydrophobicContact CE1-CB 3.76Å; F307-P516 HydrophobicContact CE1-CG 4.16Å; F307-P516 HydrophobicContact CE2-CB 3.39Å; F307-P516 HydrophobicContact CE2-CG 4.26Å; F307-P516 HydrophobicContact CG-CB 4.25Å; F307-P516 HydrophobicContact CG-CG 4.26Å; F307-P516 HydrophobicContact CZ-CB 3.33Å; F307-P516 HydrophobicContact CZ-CG 4.2Å; W508-P516 HydrophobicContact CD2-CG 3.65Å; W508-P516 HydrophobicContact CE3-CG 3.75Å; W508-P516 HydrophobicContact CG-CG 4.18Å; W508-P516 HydrophobicContact CH2-CG 4.04Å; W508-P516 HydrophobicContact CZ2-CG 3.94Å; W508-P516 HydrophobicContact CZ3-CG 3.96Å
517	R	88.3	Confident	83.3	Confident	162 Å²	162	62.1 Å²	62.1	61%	0.611	35%	0.353	S	S	*	.			trans	-104.4	121.2	-177.3	-58.5	-179.6	-171.5	177.5	4.2	110.6
518	S	93.4	Very high	83.5	Confident	0 Å²	0	61 Å²	61	0%	0	35%	0.349	C	S	.	.			trans	-121.4	92	165.7	-161.3	0	0	0	0	108.4	W218 N219 Y220 R279 A280	W218-S518 WeakPolarHBondContact CA-O 3.28Å; N219-S518 PolarHBondContact N-O 2.93Å; Y220-S518 PolarHBondContact N-O 3.39Å; Y220-S518 WeakPolarHBondContact O-CB 3.43Å; Y220-S518 PolarHBondContact O-OG 3.07Å; R279-S518 PolarHBondContact N-OG 3.49Å; A280-S518 WeakPolarHBondContact CB-OG 3.32Å; A280-S518 PolarHBondContact N-OG 3.21Å
519	I	91.6	Very high	83.7	Confident	42 Å²	42	64.9 Å²	64.9	22%	0.215	36%	0.363	C	S	.	.			trans	-139.7	140.3	-172.6	59.6	172.7	0	0	0	111.2	N219 L522	N219-I519 WeakPolarHBondContact OD1-CA 3.31Å; N219-I519 WeakPolarHBondContact OD1-CB 3.26Å; I519-L522 HydrophobicContact CD1-CD2 4.21Å
520	C	90.3	Very high	84.2	Confident	16 Å²	16	65.4 Å²	65.4	11%	0.108	36%	0.363	C	S	.	.	S	Bend	trans	-70.4	-44.2	-173.7	-172.8	0	0	0	0	113	N219 Y220 N277 C539	N219-C520 PolarHBondContact OD1-N 2.82Å; Y220-C520 VanDerWaalsContact CB-N 3.31Å; Y220-C520 HydrophobicContact CD1-CB 3.76Å; Y220-C520 HydrophobicContact CD2-CB 3.76Å; Y220-C520 HydrophobicContact CE1-CB 4.12Å; Y220-C520 HydrophobicContact CE2-CB 4.13Å; Y220-C520 HydrophobicContact CG-CB 3.56Å; N277-C520 PolarHBondContact ND2-O 3.13Å; C520-C539 HydrophobicContact CB-CB 4.02Å; C520-C539 WeakPolarHBondContact CB-SG 3.37Å; C520-C539 WeakPolarHBondContact SG-CB 3.47Å; C520-C539 CovalentContact SG-SG 2.02Å; C520-C539 PolarHBondContact SG-SG 3.34Å
521	S	88.5	Confident	85.2	Confident	22 Å²	22	65.6 Å²	65.6	15%	0.154	34%	0.337	C	S	.	.	S	Bend	trans	-139.3	136.7	-170.8	-51.1	0	0	0	0	110.3	C539 W540	S521-C539 WeakPolarHBondContact OG-CA 3.2Å; S521-W540 WeakPolarHBondContact CB-O 3.15Å; S521-W540 VanDerWaalsContact O-CZ2 3.26Å; S521-W540 WeakPolarHBondContact O-CZ2 3.3Å; S521-W540 PolarHBondContact OG-N 3.22Å; S521-W540 PolarHBondContact OG-O 3.49Å
522	L	87.2	Confident	86.5	Confident	119 Å²	119	66.3 Å²	66.3	62%	0.623	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-68.9	156.6	175.2	-70.5	173.1	0	0	0	111.1	I519 C524 W540	I519-L522 HydrophobicContact CD1-CD2 4.21Å; L522-C524 PolarHBondContact O-N 3.3Å; L522-W540 PolarHBondContact O-NE1 2.91Å
523	P	87.9	Confident	87.4	Confident	96 Å²	96	67.4 Å²	67.4	62%	0.623	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-59.9	133.3	167.9	27	-34.3	0	0	0	110.3
524	C	90.3	Very high	88.2	Confident	27 Å²	27	70.8 Å²	70.8	18%	0.182	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-69.8	157	176.7	-53.4	0	0	0	0	111.9	L522 E528 C542	L522-C524 PolarHBondContact O-N 3.3Å; C524-E528 HydrophobicContact CB-CB 3.93Å; C524-C542 WeakPolarHBondContact CA-SG 3.28Å; C524-C542 HydrophobicContact CB-CB 3.64Å; C524-C542 WeakPolarHBondContact CB-SG 3.48Å; C524-C542 WeakPolarHBondContact SG-CA 3.48Å; C524-C542 WeakPolarHBondContact SG-CB 3.31Å; C524-C542 CovalentContact SG-SG 2.03Å; C524-C542 PolarHBondContact SG-SG 2.81Å
525	Q	90.5	Very high	88.3	Confident	131 Å²	131	68.6 Å²	68.6	61%	0.612	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-78	161.3	179.6	-60.8	-61.6	-15.5	0	0	112.2	G527 E528	Q525-G527 PolarHBondContact O-N 3.34Å; Q525-E528 HydrophobicContact CB-CG 4.31Å; Q525-E528 PolarHBondContact N-OE2 3.01Å; Q525-E528 WeakPolarHBondContact O-CB 3.39Å; Q525-E528 PolarHBondContact O-N 2.7Å
526	P	87.3	Confident	88.2	Confident	82 Å²	82	69 Å²	69	53%	0.532	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	131.4	171.1	-23.8	34.7	0	0	0	111.6	N569 T571	P526-N569 CarbonylContact C-O 3.58Å; P526-T571 HydrophobicContact CB-CG2 4.03Å
527	G	87	Confident	88	Confident	4 Å²	4	73.1 Å²	73.1	4%	0.041	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	-3.1	-174.4	0	0	0	0	0	114.5	Q525 C545 N569	Q525-G527 PolarHBondContact O-N 3.34Å; G527-C545 PolarHBondContact O-N 3.05Å; G527-N569 WeakPolarHBondContact CA-O 3.2Å; G527-N569 PolarHBondContact N-O 3.2Å
528	E	91.9	Very high	88	Confident	53 Å²	53	66.1 Å²	66.1	25%	0.248	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.2	172.8	-56.9	-178	139.7	0	0	111.6	C524 Q525 C542 E543 Q551	C524-E528 HydrophobicContact CB-CB 3.93Å; Q525-E528 HydrophobicContact CB-CG 4.31Å; Q525-E528 PolarHBondContact N-OE2 3.01Å; Q525-E528 WeakPolarHBondContact O-CB 3.39Å; Q525-E528 PolarHBondContact O-N 2.7Å; E528-C542 HydrophobicContact CB-CB 4.26Å; E528-C542 WeakPolarHBondContact OE2-CB 3.2Å; E528-E543 CarbonylContact C-O 3.6Å; E528-E543 WeakPolarHBondContact CA-O 3.41Å; E528-Q551 PolarHBondContact O-NE2 3.47Å
529	R	90.9	Very high	87.8	Confident	83 Å²	83	66.3 Å²	66.3	31%	0.313	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	148.6	170.1	64.9	165	-164.4	156.9	-1.9	111.6	C542 E543	R529-C542 WeakPolarHBondContact O-CA 3.49Å; R529-E543 HydrophobicContact CG-CB 4.14Å; R529-E543 WeakPolarHBondContact CG-O 3.47Å; R529-E543 IonicContact CZ-OE2 2.66Å; R529-E543 PolarHBondContact N-O 2.91Å; R529-E543 IonicContact NE-OE2 3.32Å; R529-E543 PolarHBondContact NE-OE2 2.86Å; R529-E543 IonicContact NH2-OE2 2.83Å; R529-E543 PolarHBondContact NH2-OE2 2.92Å; R529-E543 PolarHBondContact O-N 2.91Å
530	K	91.5	Very high	87.8	Confident	32 Å²	32	66 Å²	66	14%	0.139	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	129.5	165.4	-66.6	-174.5	171.1	-160.6	0	110.5	W540 R554 Y555	K530-W540 HydrophobicContact CB-CB 4.06Å; K530-W540 HydrophobicContact CB-CG 4.09Å; K530-W540 HydrophobicContact CD-CD2 3.68Å; K530-W540 HydrophobicContact CD-CE3 4.1Å; K530-W540 HydrophobicContact CD-CG 3.83Å; K530-W540 HydrophobicContact CG-CB 4.36Å; K530-W540 HydrophobicContact CG-CD2 4.22Å; K530-W540 HydrophobicContact CG-CG 3.84Å; K530-R554 VanDerWaalsContact CB-O 3.29Å; K530-R554 WeakPolarHBondContact CB-O 3.46Å; K530-R554 WeakPolarHBondContact CG-O 3.45Å; K530-R554 PolarHBondContact N-O 2.94Å; K530-Y555 HydrophobicContact CB-CD1 3.71Å; K530-Y555 HydrophobicContact CB-CE1 3.72Å; K530-Y555 HydrophobicContact CD-CE1 4.02Å; K530-Y555 WeakPolarHBondContact O-CD1 3.5Å
531	K	90.5	Very high	87.8	Confident	97 Å²	97	71 Å²	71	42%	0.422	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	108.3	166.3	177.2	174.1	170	-179.5	0	108.2	W540 H541 E543	K531-W540 CarbonylContact O-C 3.54Å; K531-W540 VanDerWaalsContact O-CA 3.25Å; K531-W540 WeakPolarHBondContact O-CA 3.42Å; K531-H541 PolarHBondContact N-O 2.68Å; K531-H541 PolarHBondContact O-N 2.94Å; K531-E543 HydrophobicContact CB-CG 4.47Å; K531-E543 HydrophobicContact CD-CG 4.2Å; K531-E543 WeakPolarHBondContact CD-OE1 3.49Å; K531-E543 WeakPolarHBondContact CD-OE2 3.41Å; K531-E543 WeakPolarHBondContact CE-OE1 3.39Å; K531-E543 IonicContact NZ-OE1 3.2Å; K531-E543 PolarHBondContact NZ-OE1 2.82Å; K531-E543 IonicContact NZ-OE2 2.75Å
532	T	88.8	Confident	88	Confident	74 Å²	74	72.3 Å²	72.3	45%	0.454	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	145.3	-177.6	42	0	0	0	0	111.9	C539 Y555	T532-C539 WeakPolarHBondContact CA-O 3.28Å; T532-Y555 HydrophobicContact CG2-CE1 4.26Å
533	V	87.1	Confident	88.2	Confident	52 Å²	52	69.3 Å²	69.3	32%	0.315	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	133.2	174.4	-178.2	0	0	0	0	109	G535 M536 C539	V533-G535 PolarHBondContact O-N 2.96Å; V533-M536 PolarHBondContact O-N 2.77Å; V533-M536 VanDerWaalsContact O-N 3.13Å; V533-C539 HydrophobicContact CB-CB 4.07Å; V533-C539 HydrophobicContact CG2-CB 3.74Å; V533-C539 PolarHBondContact N-O 2.93Å
534	K	81.8	Confident	88.3	Confident	211 Å²	211	68.5 Å²	68.5	92%	0.917	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	124.9	177.8	-72.6	-171.6	176.7	-175.4	0	109.8
535	G	79.5	Confident	88.3	Confident	86 Å²	86	67.2 Å²	67.2	89%	0.887	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	-5.4	-180	0	0	0	0	0	116	V533	V533-G535 PolarHBondContact O-N 2.96Å
536	M	82.4	Confident	88.1	Confident	51 Å²	51	65.4 Å²	65.4	25%	0.251	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	87.4	-175.7	-162.4	172.8	-77.4	0	0	111.9	Y220 C249 I250 V533 C538 C539	Y220-M536 HydrophobicContact CE2-SD 3.63Å; C249-M536 HydrophobicContact CB-CG 4.34Å; I250-M536 WeakPolarHBondContact O-CE 3.42Å; V533-M536 PolarHBondContact O-N 2.77Å; V533-M536 VanDerWaalsContact O-N 3.13Å; M536-C538 VanDerWaalsContact C-N 3.31Å; M536-C538 PolarHBondContact O-N 3.32Å; M536-C539 HydrophobicContact CB-CB 4.49Å; M536-C539 HydrophobicContact CG-CB 4.29Å; M536-C539 VanDerWaalsContact CG-SG 3.6Å; M536-C539 PolarHBondContact O-N 2.82Å; M536-C539 VanDerWaalsContact O-N 3.13Å; M536-C539 HydrophobicContact SD-CB 4.48Å; M536-C539 PolarHBondContact SD-SG 2.85Å
537	P	82.2	Confident	88.1	Confident	96 Å²	96	63 Å²	63	62%	0.623	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	-22.9	-165.5	25.8	-34.7	0	0	0	115	C539	P537-C539 PolarHBondContact O-N 2.84Å
538	C	87.1	Confident	88.1	Confident	14 Å²	14	64.1 Å²	64.1	10%	0.095	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-9.1	177.3	-41.2	0	0	0	0	113.4	C249 M536 W540	C249-C538 HydrophobicContact CB-CB 3.63Å; C249-C538 WeakPolarHBondContact CB-SG 3.3Å; C249-C538 PolarHBondContact N-SG 2.96Å; C249-C538 VanDerWaalsContact N-SG 3.41Å; C249-C538 WeakPolarHBondContact SG-CB 3.49Å; C249-C538 PolarHBondContact SG-N 3.3Å; C249-C538 CovalentContact SG-SG 2.04Å; C249-C538 PolarHBondContact SG-SG 3.16Å; M536-C538 VanDerWaalsContact C-N 3.31Å; M536-C538 PolarHBondContact O-N 3.32Å; C538-W540 WeakPolarHBondContact O-CZ3 3.31Å
539	C	89.8	Confident	88.1	Confident	5 Å²	5	64.7 Å²	64.7	3%	0.034	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.4	180	-60.3	0	0	0	0	110.7	C520 S521 T532 V533 M536 P537	C520-C539 HydrophobicContact CB-CB 4.02Å; C520-C539 WeakPolarHBondContact CB-SG 3.37Å; C520-C539 WeakPolarHBondContact SG-CB 3.47Å; C520-C539 CovalentContact SG-SG 2.02Å; C520-C539 PolarHBondContact SG-SG 3.34Å; S521-C539 WeakPolarHBondContact OG-CA 3.2Å; T532-C539 WeakPolarHBondContact CA-O 3.28Å; V533-C539 HydrophobicContact CB-CB 4.07Å; V533-C539 HydrophobicContact CG2-CB 3.74Å; V533-C539 PolarHBondContact N-O 2.93Å; M536-C539 HydrophobicContact CB-CB 4.49Å; M536-C539 HydrophobicContact CG-CB 4.29Å; M536-C539 VanDerWaalsContact CG-SG 3.6Å; M536-C539 PolarHBondContact O-N 2.82Å; M536-C539 VanDerWaalsContact O-N 3.13Å; M536-C539 HydrophobicContact SD-CB 4.48Å; M536-C539 PolarHBondContact SD-SG 2.85Å; P537-C539 PolarHBondContact O-N 2.84Å
540	W	90.7	Very high	88.1	Confident	34 Å²	34	63.5 Å²	63.5	13%	0.129	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	144.3	175.5	54.8	75	0	0	0	111.2	S521 L522 K530 K531 C538	S521-W540 WeakPolarHBondContact CB-O 3.15Å; S521-W540 VanDerWaalsContact O-CZ2 3.26Å; S521-W540 WeakPolarHBondContact O-CZ2 3.3Å; S521-W540 PolarHBondContact OG-N 3.22Å; S521-W540 PolarHBondContact OG-O 3.49Å; L522-W540 PolarHBondContact O-NE1 2.91Å; K530-W540 HydrophobicContact CB-CB 4.06Å; K530-W540 HydrophobicContact CB-CG 4.09Å; K530-W540 HydrophobicContact CD-CD2 3.68Å; K530-W540 HydrophobicContact CD-CE3 4.1Å; K530-W540 HydrophobicContact CD-CG 3.83Å; K530-W540 HydrophobicContact CG-CB 4.36Å; K530-W540 HydrophobicContact CG-CD2 4.22Å; K530-W540 HydrophobicContact CG-CG 3.84Å; K531-W540 CarbonylContact O-C 3.54Å; K531-W540 VanDerWaalsContact O-CA 3.25Å; K531-W540 WeakPolarHBondContact O-CA 3.42Å; C538-W540 WeakPolarHBondContact O-CZ3 3.31Å
541	H	91	Very high	88.1	Confident	123 Å²	123	63.5 Å²	63.5	57%	0.569	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	145.9	162	-58.3	-67	0	0	0	109.2	K531	K531-H541 PolarHBondContact N-O 2.68Å; K531-H541 PolarHBondContact O-N 2.94Å
542	C	92.4	Very high	88	Confident	48 Å²	48	61.6 Å²	61.6	32%	0.324	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	119.3	172.3	-56.4	0	0	0	0	108	C524 E528 R529	C524-C542 WeakPolarHBondContact CA-SG 3.28Å; C524-C542 HydrophobicContact CB-CB 3.64Å; C524-C542 WeakPolarHBondContact CB-SG 3.48Å; C524-C542 WeakPolarHBondContact SG-CA 3.48Å; C524-C542 WeakPolarHBondContact SG-CB 3.31Å; C524-C542 CovalentContact SG-SG 2.03Å; C524-C542 PolarHBondContact SG-SG 2.81Å; E528-C542 HydrophobicContact CB-CB 4.26Å; E528-C542 WeakPolarHBondContact OE2-CB 3.2Å; R529-C542 WeakPolarHBondContact O-CA 3.49Å
543	E	90.9	Very high	87.9	Confident	57 Å²	57	62.3 Å²	62.3	27%	0.266	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.7	174.9	-71.4	-172.2	159.3	0	0	109.4	E528 R529 K531	E528-E543 CarbonylContact C-O 3.6Å; E528-E543 WeakPolarHBondContact CA-O 3.41Å; R529-E543 HydrophobicContact CG-CB 4.14Å; R529-E543 WeakPolarHBondContact CG-O 3.47Å; R529-E543 IonicContact CZ-OE2 2.66Å; R529-E543 PolarHBondContact N-O 2.91Å; R529-E543 IonicContact NE-OE2 3.32Å; R529-E543 PolarHBondContact NE-OE2 2.86Å; R529-E543 IonicContact NH2-OE2 2.83Å; R529-E543 PolarHBondContact NH2-OE2 2.92Å; R529-E543 PolarHBondContact O-N 2.91Å; K531-E543 HydrophobicContact CB-CG 4.47Å; K531-E543 HydrophobicContact CD-CG 4.2Å; K531-E543 WeakPolarHBondContact CD-OE1 3.49Å; K531-E543 WeakPolarHBondContact CD-OE2 3.41Å; K531-E543 WeakPolarHBondContact CE-OE1 3.39Å; K531-E543 IonicContact NZ-OE1 3.2Å; K531-E543 PolarHBondContact NZ-OE1 2.82Å; K531-E543 IonicContact NZ-OE2 2.75Å
544	P	90.4	Very high	87.8	Confident	78 Å²	78	68.7 Å²	68.7	51%	0.506	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	139.3	176	27.8	-34.3	0	0	0	111	T546	P544-T546 PolarHBondContact O-N 3.27Å
545	C	89.9	Confident	88.2	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.007	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-67.9	116.2	169.6	-60	0	0	0	0	109.3	G527 Q549 C557 R570	G527-C545 PolarHBondContact O-N 3.05Å; C545-Q549 HydrophobicContact CB-CB 3.97Å; C545-C557 WeakPolarHBondContact CA-SG 3.24Å; C545-C557 HydrophobicContact CB-CB 3.78Å; C545-C557 WeakPolarHBondContact CB-SG 3.47Å; C545-C557 WeakPolarHBondContact SG-CB 3.43Å; C545-C557 CovalentContact SG-SG 2.04Å; C545-C557 PolarHBondContact SG-SG 2.99Å; C545-R570 WeakPolarHBondContact O-CD 3.25Å; C545-R570 VanDerWaalsContact O-CZ 3.3Å; C545-R570 PolarHBondContact O-NE 3.33Å; C545-R570 PolarHBondContact O-NH1 3.39Å
546	T	87.6	Confident	88.7	Confident	93 Å²	93	62.6 Å²	62.6	57%	0.571	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-97.3	166	-171.5	56.8	0	0	0	0	113.8	P544 Y548 Q549	P544-T546 PolarHBondContact O-N 3.27Å; T546-Y548 PolarHBondContact O-N 3.08Å; T546-Q549 VanDerWaalsContact O-CB 3.24Å; T546-Q549 WeakPolarHBondContact O-CB 3.32Å; T546-Q549 WeakPolarHBondContact O-CG 3.44Å; T546-Q549 PolarHBondContact O-N 3.07Å
547	G	86.5	Confident	89.2	Confident	30 Å²	30	61.5 Å²	61.5	31%	0.309	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	-131.6	179.4	0	0	0	0	0	112.4	Q549 R570 P737	G547-Q549 PolarHBondContact O-N 3.16Å; G547-R570 PolarHBondContact O-NH1 3.39Å; G547-P737 VanDerWaalsContact O-CG 3.25Å; G547-P737 WeakPolarHBondContact O-CG 3.47Å
548	Y	88.1	Confident	89.6	Confident	28 Å²	28	62.6 Å²	62.6	11%	0.11	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	13.7	177.8	-70	-98.1	0	0	0	114	T546 C560 R565 R733 T734 P737 A740	T546-Y548 PolarHBondContact O-N 3.08Å; Y548-C560 PolarHBondContact O-N 2.92Å; Y548-R565 HydrophobicContact CD1-CB 4.41Å; Y548-R565 HydrophobicContact CE1-CB 4.28Å; Y548-R733 VanDerWaalsContact CD1-NH2 3.29Å; Y548-R733 HydrophobicContact CE1-CG 4.28Å; Y548-R733 HydrophobicContact CE2-CG 4.18Å; Y548-R733 VanDerWaalsContact OH-CG 3.22Å; Y548-R733 WeakPolarHBondContact OH-CG 3.48Å; Y548-T734 WeakPolarHBondContact CE2-O 3.29Å; Y548-T734 PolarHBondContact OH-O 3.36Å; Y548-P737 HydrophobicContact CD1-CB 4.17Å; Y548-P737 HydrophobicContact CD1-CG 4.29Å; Y548-P737 HydrophobicContact CD2-CG 4.15Å; Y548-P737 HydrophobicContact CE1-CB 3.86Å; Y548-P737 HydrophobicContact CE1-CG 4.25Å; Y548-P737 HydrophobicContact CE2-CB 4.47Å; Y548-P737 HydrophobicContact CE2-CG 4.09Å; Y548-P737 HydrophobicContact CG-CG 4.22Å; Y548-A740 HydrophobicContact CE1-CB 4.3Å; Y548-A740 WeakPolarHBondContact OH-CB 3.45Å
549	Q	90.7	Very high	89.8	Confident	66 Å²	66	66.3 Å²	66.3	31%	0.308	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	145.7	178.3	-59.7	-178.3	-4	0	0	113	C545 T546 G547 C557 K558 R570	C545-Q549 HydrophobicContact CB-CB 3.97Å; T546-Q549 VanDerWaalsContact O-CB 3.24Å; T546-Q549 WeakPolarHBondContact O-CB 3.32Å; T546-Q549 WeakPolarHBondContact O-CG 3.44Å; T546-Q549 PolarHBondContact O-N 3.07Å; G547-Q549 PolarHBondContact O-N 3.16Å; Q549-C557 HydrophobicContact CB-CB 4.15Å; Q549-K558 CarbonylContact C-O 3.56Å; Q549-K558 VanDerWaalsContact CA-O 3.23Å; Q549-K558 WeakPolarHBondContact CA-O 3.39Å; Q549-R570 PolarHBondContact O-NH1 3.43Å
550	Y	91.4	Very high	89.8	Confident	58 Å²	58	66.5 Å²	66.5	23%	0.227	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	156.1	170.4	76.9	-77.1	0	0	0	110.1	V552 C557 K558 R570 C573	Y550-V552 HydrophobicContact CD2-CG2 4.19Å; Y550-V552 HydrophobicContact CE1-CG2 4.41Å; Y550-V552 HydrophobicContact CE2-CG2 3.51Å; Y550-C557 CarbonylContact O-C 3.5Å; Y550-C557 VanDerWaalsContact O-CA 3.27Å; Y550-C557 WeakPolarHBondContact O-CA 3.47Å; Y550-K558 WeakPolarHBondContact CD1-O 3.41Å; Y550-K558 HydrophobicContact CE1-CB 4.13Å; Y550-K558 PolarHBondContact N-O 2.79Å; Y550-K558 PolarHBondContact O-N 3.31Å; Y550-R570 CarbonylContact C-O 3.58Å; Y550-R570 VanDerWaalsContact CA-O 3.25Å; Y550-R570 WeakPolarHBondContact CA-O 3.46Å; Y550-R570 WeakPolarHBondContact CB-O 3.43Å; Y550-C573 WeakPolarHBondContact CD1-SG 3.19Å; Y550-C573 WeakPolarHBondContact CE1-SG 3.28Å
551	Q	92.3	Very high	89.7	Confident	31 Å²	31	68 Å²	68	15%	0.145	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	126.8	175	179.2	170.2	31.6	0	0	110.1	E528 D553 R570	E528-Q551 PolarHBondContact O-NE2 3.47Å; Q551-D553 WeakPolarHBondContact CG-O 3.4Å; Q551-D553 PolarHBondContact NE2-O 2.82Å; Q551-R570 PolarHBondContact N-O 2.97Å
552	V	87.4	Confident	89.4	Confident	58 Å²	58	68.1 Å²	68.1	35%	0.352	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-61	171.1	178.2	0	0	0	0	109.1	Y550 T556 K558	Y550-V552 HydrophobicContact CD2-CG2 4.19Å; Y550-V552 HydrophobicContact CE1-CG2 4.41Å; Y550-V552 HydrophobicContact CE2-CG2 3.51Å; V552-T556 PolarHBondContact N-O 2.9Å; V552-K558 HydrophobicContact CG2-CB 3.9Å; V552-K558 HydrophobicContact CG2-CD 3.89Å; V552-K558 HydrophobicContact CG2-CG 3.76Å
553	D	86.4	Confident	89	Confident	89 Å²	89	69.2 Å²	69.2	48%	0.476	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	173.2	176	-45.9	-73.8	0	0	0	110.8	Q551 Y555 T556	Q551-D553 WeakPolarHBondContact CG-O 3.4Å; Q551-D553 PolarHBondContact NE2-O 2.82Å; D553-Y555 PolarHBondContact O-N 3.23Å; D553-T556 WeakPolarHBondContact CB-OG1 3.49Å; D553-T556 VanDerWaalsContact CG-OG1 3.29Å; D553-T556 PolarHBondContact N-OG1 3.47Å; D553-T556 PolarHBondContact O-N 3.17Å; D553-T556 PolarHBondContact OD2-OG1 3.46Å
554	R	85.8	Confident	88.9	Confident	186 Å²	186	69.1 Å²	69.1	70%	0.702	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-9.7	174	-67.8	179.3	176.8	169.5	-0.5	114.5	K530	K530-R554 VanDerWaalsContact CB-O 3.29Å; K530-R554 WeakPolarHBondContact CB-O 3.46Å; K530-R554 WeakPolarHBondContact CG-O 3.45Å; K530-R554 PolarHBondContact N-O 2.94Å
555	Y	88.7	Confident	88.8	Confident	121 Å²	121	67 Å²	67	48%	0.475	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-8.7	-177.9	-60.2	-85	0	0	0	113.9	K530 T532 D553	K530-Y555 HydrophobicContact CB-CD1 3.71Å; K530-Y555 HydrophobicContact CB-CE1 3.72Å; K530-Y555 HydrophobicContact CD-CE1 4.02Å; K530-Y555 WeakPolarHBondContact O-CD1 3.5Å; T532-Y555 HydrophobicContact CG2-CE1 4.26Å; D553-Y555 PolarHBondContact O-N 3.23Å
556	T	90.6	Very high	88.9	Confident	48 Å²	48	67.4 Å²	67.4	29%	0.294	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.2	-166.7	60	0	0	0	0	111.7	V552 D553	V552-T556 PolarHBondContact N-O 2.9Å; D553-T556 WeakPolarHBondContact CB-OG1 3.49Å; D553-T556 VanDerWaalsContact CG-OG1 3.29Å; D553-T556 PolarHBondContact N-OG1 3.47Å; D553-T556 PolarHBondContact O-N 3.17Å; D553-T556 PolarHBondContact OD2-OG1 3.46Å
557	C	92.4	Very high	88.9	Confident	28 Å²	28	64.9 Å²	64.9	19%	0.189	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139.3	163	-57.8	0	0	0	0	108.1	C545 Q549 Y550	C545-C557 WeakPolarHBondContact CA-SG 3.24Å; C545-C557 HydrophobicContact CB-CB 3.78Å; C545-C557 WeakPolarHBondContact CB-SG 3.47Å; C545-C557 WeakPolarHBondContact SG-CB 3.43Å; C545-C557 CovalentContact SG-SG 2.04Å; C545-C557 PolarHBondContact SG-SG 2.99Å; Q549-C557 HydrophobicContact CB-CB 4.15Å; Y550-C557 CarbonylContact O-C 3.5Å; Y550-C557 VanDerWaalsContact O-CA 3.27Å; Y550-C557 WeakPolarHBondContact O-CA 3.47Å
558	K	91.4	Very high	88.8	Confident	119 Å²	119	70.2 Å²	70.2	52%	0.517	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151	168.8	-66.2	-169.2	-168.6	171.3	0	109.9	Q549 Y550 V552	Q549-K558 CarbonylContact C-O 3.56Å; Q549-K558 VanDerWaalsContact CA-O 3.23Å; Q549-K558 WeakPolarHBondContact CA-O 3.39Å; Y550-K558 WeakPolarHBondContact CD1-O 3.41Å; Y550-K558 HydrophobicContact CE1-CB 4.13Å; Y550-K558 PolarHBondContact N-O 2.79Å; Y550-K558 PolarHBondContact O-N 3.31Å; V552-K558 HydrophobicContact CG2-CB 3.9Å; V552-K558 HydrophobicContact CG2-CD 3.89Å; V552-K558 HydrophobicContact CG2-CG 3.76Å
559	T	91	Very high	88.8	Confident	91 Å²	91	74.2 Å²	74.2	56%	0.558	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	140.4	174.7	-43.6	0	0	0	0	110.3
560	C	89.6	Confident	88.6	Confident	10 Å²	10	74.2 Å²	74.2	7%	0.068	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-65.2	156.4	170	-72.2	0	0	0	0	112.3	Y548 M564 C573	Y548-C560 PolarHBondContact O-N 2.92Å; C560-M564 HydrophobicContact CB-CB 4.24Å; C560-C573 WeakPolarHBondContact CA-SG 3.4Å; C560-C573 HydrophobicContact CB-CB 3.96Å; C560-C573 WeakPolarHBondContact CB-SG 3.38Å; C560-C573 WeakPolarHBondContact SG-CB 3.34Å; C560-C573 CovalentContact SG-SG 2.04Å; C560-C573 PolarHBondContact SG-SG 3.4Å
561	P	90.1	Very high	88.5	Confident	66 Å²	66	75.2 Å²	75.2	43%	0.429	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-52.1	162	166.5	-28.6	37.2	0	0	0	113.9	D563 M564	P561-D563 WeakPolarHBondContact CB-OD1 3.49Å; P561-D563 PolarHBondContact O-N 3.4Å; P561-M564 HydrophobicContact CB-CB 4.36Å; P561-M564 HydrophobicContact CB-CG 4.27Å; P561-M564 PolarHBondContact O-N 3.21Å; P561-M564 VanDerWaalsContact O-O 3.06Å
562	Y	84.7	Confident	88.4	Confident	125 Å²	125	74.6 Å²	74.6	49%	0.49	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-36.5	-173.2	-168.4	-96.9	0	0	0	112.8	M564 I576 F729 R733	Y562-M564 PolarHBondContact O-N 3.31Å; Y562-I576 WeakPolarHBondContact O-CD1 3.1Å; Y562-F729 HydrophobicContact CD1-CB 4.44Å; Y562-F729 HydrophobicContact CE1-CB 3.84Å; Y562-R733 VanDerWaalsContact CD2-NH1 3.34Å; Y562-R733 PolarHBondContact O-NH1 3.43Å; Y562-R733 PolarHBondContact O-NH2 3.47Å
563	D	83.9	Confident	88.6	Confident	70 Å²	70	73.7 Å²	73.7	37%	0.374	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-7.7	173	61.7	-57.7	0	0	0	114	P561 I576 F729	P561-D563 WeakPolarHBondContact CB-OD1 3.49Å; P561-D563 PolarHBondContact O-N 3.4Å; D563-I576 WeakPolarHBondContact O-CB 3.31Å; D563-I576 WeakPolarHBondContact O-CG1 3.38Å; D563-I576 PolarHBondContact O-N 2.84Å; D563-F729 HydrophobicContact CB-CZ 4.49Å
564	M	88.3	Confident	88.8	Confident	56 Å²	56	73.2 Å²	73.2	28%	0.276	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	160.2	-171.5	-58.6	-156.3	-176.5	0	0	114.6	C560 P561 Y562 C573 R574 R733	C560-M564 HydrophobicContact CB-CB 4.24Å; P561-M564 HydrophobicContact CB-CB 4.36Å; P561-M564 HydrophobicContact CB-CG 4.27Å; P561-M564 PolarHBondContact O-N 3.21Å; P561-M564 VanDerWaalsContact O-O 3.06Å; Y562-M564 PolarHBondContact O-N 3.31Å; M564-C573 HydrophobicContact CB-CB 4.03Å; M564-C573 HydrophobicContact SD-CB 3.91Å; M564-R574 WeakPolarHBondContact CA-O 3.32Å; M564-R574 WeakPolarHBondContact CB-O 3.44Å; M564-R733 PolarHBondContact O-NH2 3.15Å
565	R	88.2	Confident	89	Confident	34 Å²	34	68.9 Å²	68.9	13%	0.128	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	151.7	176.4	57.4	177.6	-173.6	163.6	3.8	110.5	Y548 C573 R574 I576 P737 R738	Y548-R565 HydrophobicContact CD1-CB 4.41Å; Y548-R565 HydrophobicContact CE1-CB 4.28Å; R565-C573 CarbonylContact O-C 3.42Å; R565-C573 WeakPolarHBondContact O-CA 3.45Å; R565-R574 HydrophobicContact CG-CG 4.15Å; R565-R574 PolarHBondContact N-O 3.01Å; R565-R574 PolarHBondContact O-N 3.28Å; R565-I576 HydrophobicContact CB-CG1 4Å; R565-I576 HydrophobicContact CG-CG1 3.97Å; R565-P737 HydrophobicContact CB-CB 4.16Å; R565-P737 VanDerWaalsContact CD-O 3.22Å; R565-P737 WeakPolarHBondContact CD-O 3.36Å; R565-P737 PolarHBondContact NH1-O 3.31Å; R565-P737 VanDerWaalsContact NH1-O 3.12Å; R565-R738 PolarHBondContact NH1-O 2.81Å
566	P	91.5	Very high	88.9	Confident	9 Å²	9	63.6 Å²	63.6	6%	0.058	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	151.7	179.2	22.7	-32.8	0	0	0	113.3	R570 G572 P737	P566-R570 HydrophobicContact CB-CG 4.42Å; P566-G572 WeakPolarHBondContact CA-O 3.33Å; P566-P737 HydrophobicContact CG-CB 4.2Å; P566-P737 HydrophobicContact CG-CG 4.18Å
567	T	88.5	Confident	88.6	Confident	39 Å²	39	64 Å²	64	24%	0.239	34%	0.338	C	S	.	.			trans	-62.1	160.5	163	53.1	0	0	0	0	111	N569 R570 T571 G572	T567-N569 PolarHBondContact O-N 2.89Å; T567-R570 WeakPolarHBondContact O-CA 3.43Å; T567-R570 PolarHBondContact O-N 3.35Å; T567-R570 PolarHBondContact OG1-N 3.27Å; T567-T571 PolarHBondContact OG1-N 3.08Å; T567-G572 PolarHBondContact N-O 2.66Å; T567-G572 PolarHBondContact OG1-N 2.76Å; T567-G572 PolarHBondContact OG1-O 2.68Å
568	E	84.6	Confident	88.2	Confident	143 Å²	143	67 Å²	67	67%	0.668	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-43.4	178.4	-81.2	139.9	-128.3	0	0	113.3	R570 R574	E568-R570 PolarHBondContact O-N 2.98Å; E568-R570 VanDerWaalsContact O-N 3.16Å; E568-R574 IonicContact OE1-CZ 2.99Å; E568-R574 IonicContact OE1-NH1 2.7Å; E568-R574 PolarHBondContact OE1-NH1 3.45Å; E568-R574 IonicContact OE1-NH2 3.67Å; E568-R574 PolarHBondContact OE1-NH2 3.12Å
569	N	87.4	Confident	87.7	Confident	112 Å²	112	63.6 Å²	63.6	60%	0.599	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	3.1	172.8	-63.1	-5.4	0	0	0	113.6	P526 G527 T567 T571	P526-N569 CarbonylContact C-O 3.58Å; G527-N569 WeakPolarHBondContact CA-O 3.2Å; G527-N569 PolarHBondContact N-O 3.2Å; T567-N569 PolarHBondContact O-N 2.89Å; N569-T571 HydrophobicContact CB-CG2 4.47Å; N569-T571 PolarHBondContact O-N 3.25Å
570	R	86.2	Confident	87.1	Confident	65 Å²	65	62.8 Å²	62.8	25%	0.245	33%	0.327	C	S	.	.	S	Bend	trans	48.2	28.7	-178	-58.1	179.7	174.5	-93.7	-5.7	115.3	C545 G547 Q549 Y550 Q551 P566 T567 E568	C545-R570 WeakPolarHBondContact O-CD 3.25Å; C545-R570 VanDerWaalsContact O-CZ 3.3Å; C545-R570 PolarHBondContact O-NE 3.33Å; C545-R570 PolarHBondContact O-NH1 3.39Å; G547-R570 PolarHBondContact O-NH1 3.39Å; Q549-R570 PolarHBondContact O-NH1 3.43Å; Y550-R570 CarbonylContact C-O 3.58Å; Y550-R570 VanDerWaalsContact CA-O 3.25Å; Y550-R570 WeakPolarHBondContact CA-O 3.46Å; Y550-R570 WeakPolarHBondContact CB-O 3.43Å; Q551-R570 PolarHBondContact N-O 2.97Å; P566-R570 HydrophobicContact CB-CG 4.42Å; T567-R570 WeakPolarHBondContact O-CA 3.43Å; T567-R570 PolarHBondContact O-N 3.35Å; T567-R570 PolarHBondContact OG1-N 3.27Å; E568-R570 PolarHBondContact O-N 2.98Å; E568-R570 VanDerWaalsContact O-N 3.16Å
571	T	89.4	Confident	86.4	Confident	80 Å²	80	63.2 Å²	63.2	49%	0.491	33%	0.329	S	S	.	.	S	Bend	trans	-91.2	-8.4	176.2	49	0	0	0	0	113.8	P526 T567 N569	P526-T571 HydrophobicContact CB-CG2 4.03Å; T567-T571 PolarHBondContact OG1-N 3.08Å; N569-T571 HydrophobicContact CB-CG2 4.47Å; N569-T571 PolarHBondContact O-N 3.25Å
572	G	89.6	Confident	85.9	Confident	18 Å²	18	65.5 Å²	65.5	19%	0.186	33%	0.334	C	S	.	.	S	Bend	trans	-162.5	-173.3	176.7	0	0	0	0	0	112.6	P566 T567	P566-G572 WeakPolarHBondContact CA-O 3.33Å; T567-G572 PolarHBondContact N-O 2.66Å; T567-G572 PolarHBondContact OG1-N 2.76Å; T567-G572 PolarHBondContact OG1-O 2.68Å
573	C	91.7	Very high	85.7	Confident	39 Å²	39	65.4 Å²	65.4	26%	0.264	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	149.4	176.8	-56.3	0	0	0	0	110.9	Y550 C560 M564 R565	Y550-C573 WeakPolarHBondContact CD1-SG 3.19Å; Y550-C573 WeakPolarHBondContact CE1-SG 3.28Å; C560-C573 WeakPolarHBondContact CA-SG 3.4Å; C560-C573 HydrophobicContact CB-CB 3.96Å; C560-C573 WeakPolarHBondContact CB-SG 3.38Å; C560-C573 WeakPolarHBondContact SG-CB 3.34Å; C560-C573 CovalentContact SG-SG 2.04Å; C560-C573 PolarHBondContact SG-SG 3.4Å; M564-C573 HydrophobicContact CB-CB 4.03Å; M564-C573 HydrophobicContact SD-CB 3.91Å; R565-C573 CarbonylContact O-C 3.42Å; R565-C573 WeakPolarHBondContact O-CA 3.45Å
574	R	91.6	Very high	85.5	Confident	79 Å²	79	68 Å²	68	30%	0.298	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152	171	59.4	177.1	172.5	-175.8	-3.4	109.3	M564 R565 E568	M564-R574 WeakPolarHBondContact CA-O 3.32Å; M564-R574 WeakPolarHBondContact CB-O 3.44Å; R565-R574 HydrophobicContact CG-CG 4.15Å; R565-R574 PolarHBondContact N-O 3.01Å; R565-R574 PolarHBondContact O-N 3.28Å; E568-R574 IonicContact OE1-CZ 2.99Å; E568-R574 IonicContact OE1-NH1 2.7Å; E568-R574 PolarHBondContact OE1-NH1 3.45Å; E568-R574 IonicContact OE1-NH2 3.67Å; E568-R574 PolarHBondContact OE1-NH2 3.12Å
575	P	89.1	Confident	85.2	Confident	95 Å²	95	66.4 Å²	66.4	62%	0.617	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	150.9	178.4	23	-33.7	0	0	0	112.5
576	I	87.7	Confident	84.7	Confident	9 Å²	9	69.7 Å²	69.7	5%	0.046	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-74.4	130.1	170.6	-67.4	171.2	0	0	0	108.5	Y562 D563 R565 F729 R741	Y562-I576 WeakPolarHBondContact O-CD1 3.1Å; D563-I576 WeakPolarHBondContact O-CB 3.31Å; D563-I576 WeakPolarHBondContact O-CG1 3.38Å; D563-I576 PolarHBondContact O-N 2.84Å; R565-I576 HydrophobicContact CB-CG1 4Å; R565-I576 HydrophobicContact CG-CG1 3.97Å; I576-F729 HydrophobicContact CB-CD1 4.12Å; I576-F729 HydrophobicContact CB-CE1 3.91Å; I576-F729 HydrophobicContact CD1-CD1 4.24Å; I576-F729 HydrophobicContact CG2-CD1 3.89Å; I576-F729 HydrophobicContact CG2-CE1 3.99Å; I576-R741 VanDerWaalsContact CG2-C 3.45Å; I576-R741 VanDerWaalsContact CG2-CA 3.47Å
577	P	84.4	Confident	84	Confident	56 Å²	56	75.6 Å²	75.6	36%	0.364	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-68	139.2	179.2	29.1	-36	0	0	0	110.8	R741 G742	P577-R741 HydrophobicContact CG-CG 4.35Å; P577-R741 CarbonylContact O-C 3.58Å; P577-R741 WeakPolarHBondContact O-CA 3.37Å; P577-G742 PolarHBondContact O-N 3.11Å
578	I	83.5	Confident	83.6	Confident	93 Å²	93	73.8 Å²	73.8	48%	0.477	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.6	-178.9	-56.7	171.1	0	0	0	108.8	V727 G742 L744	I578-V727 HydrophobicContact CD1-CG1 4.07Å; I578-V727 HydrophobicContact CD1-CG2 3.87Å; I578-V727 HydrophobicContact CG1-CG1 3.97Å; I578-V727 HydrophobicContact CG2-CG1 4.24Å; I578-G742 CarbonylContact C-O 3.58Å; I578-G742 WeakPolarHBondContact CA-O 3.32Å; I578-L744 HydrophobicContact CG2-CB 3.84Å
579	I	79.9	Confident	83.5	Confident	46 Å²	46	70.4 Å²	70.4	24%	0.236	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	141.5	168	-49.1	165.4	0	0	0	108.8	R741 G742 L744	I579-R741 HydrophobicContact CD1-CB 3.88Å; I579-R741 HydrophobicContact CD1-CG 4.2Å; I579-R741 HydrophobicContact CG1-CB 4.06Å; I579-R741 HydrophobicContact CG1-CG 4.38Å; I579-G742 PolarHBondContact N-O 3.32Å; I579-L744 PolarHBondContact O-N 3.25Å; I579-L744 VanDerWaalsContact O-N 3.1Å
580	K	79.9	Confident	83.2	Confident	74 Å²	74	70 Å²	70	32%	0.322	36%	0.363	S	S	.	.			trans	-125.7	165.9	164.1	57.3	179.4	172.6	-178.3	0	109.9	E582 E646	K580-E582 HydrophobicContact CG-CG 4.33Å; K580-E582 PolarHBondContact O-N 2.8Å; K580-E646 VanDerWaalsContact CD-CD 3.46Å; K580-E646 HydrophobicContact CD-CG 4.12Å; K580-E646 WeakPolarHBondContact CD-OE1 3.27Å; K580-E646 IonicContact NZ-OE1 3.31Å; K580-E646 PolarHBondContact NZ-OE1 3.05Å; K580-E646 IonicContact NZ-OE2 3.87Å; K580-E646 PolarHBondContact NZ-OE2 2.98Å
581	L	73.6	Confident	82.9	Confident	20 Å²	20	67.1 Å²	67.1	11%	0.105	35%	0.353	C	S	.	.			trans	-76	113	174	-179.2	60.1	0	0	0	109.2	A588 I644 Y816 T819	L581-A588 HydrophobicContact CD1-CB 4.42Å; L581-I644 HydrophobicContact CD2-CG2 4.33Å; L581-Y816 HydrophobicContact CD1-CD1 3.5Å; L581-Y816 VanDerWaalsContact CD1-CD1 3.5Å; L581-Y816 HydrophobicContact CD1-CE1 3.56Å; L581-T819 HydrophobicContact CD2-CG2 4.05Å
582	E	79.9	Confident	82.7	Confident	113 Å²	113	65.1 Å²	65.1	53%	0.528	34%	0.339	S	S	.	.			trans	-93.8	144.6	-179.4	-59.6	-177.4	132.2	0	0	110.8	K580 D584 S585	K580-E582 HydrophobicContact CG-CG 4.33Å; K580-E582 PolarHBondContact O-N 2.8Å; E582-D584 VanDerWaalsContact C-N 3.28Å; E582-D584 VanDerWaalsContact CB-OD1 3.27Å; E582-D584 WeakPolarHBondContact CB-OD1 3.33Å; E582-D584 PolarHBondContact O-N 2.75Å; E582-S585 WeakPolarHBondContact O-CB 3.45Å; E582-S585 PolarHBondContact O-N 2.83Å; E582-S585 VanDerWaalsContact O-N 3.13Å
583	W	81.4	Confident	82.6	Confident	124 Å²	124	70.6 Å²	70.6	47%	0.47	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-22.3	-168.1	-68.4	92.3	0	0	0	114.3	V589 L592 I644 A645	W583-V589 WeakPolarHBondContact O-CG2 3.44Å; W583-L592 HydrophobicContact CE3-CD1 4.46Å; W583-L592 HydrophobicContact CE3-CD2 4.25Å; W583-L592 HydrophobicContact CZ3-CD1 3.97Å; W583-I644 HydrophobicContact CD2-CG2 4.03Å; W583-I644 HydrophobicContact CE3-CB 4.47Å; W583-I644 HydrophobicContact CE3-CG2 3.54Å; W583-I644 HydrophobicContact CH2-CB 4.43Å; W583-I644 HydrophobicContact CH2-CG2 4.19Å; W583-I644 HydrophobicContact CZ3-CB 4.07Å; W583-I644 HydrophobicContact CZ3-CG2 3.63Å; W583-A645 HydrophobicContact CH2-CB 4.15Å; W583-A645 HydrophobicContact CZ2-CB 3.85Å
584	D	79.5	Confident	82.3	Confident	125 Å²	125	72 Å²	72	67%	0.668	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-12.5	175.6	63.5	-31	0	0	0	113	E582	E582-D584 VanDerWaalsContact C-N 3.28Å; E582-D584 VanDerWaalsContact CB-OD1 3.27Å; E582-D584 WeakPolarHBondContact CB-OD1 3.33Å; E582-D584 PolarHBondContact O-N 2.75Å
585	S	80.7	Confident	82.1	Confident	21 Å²	21	68.2 Å²	68.2	15%	0.147	35%	0.348	C	S	.	.	S	Bend	trans	-54.7	129.8	176.1	-173.2	0	0	0	0	110.9	E582 W587 A588 V589	E582-S585 WeakPolarHBondContact O-CB 3.45Å; E582-S585 PolarHBondContact O-N 2.83Å; E582-S585 VanDerWaalsContact O-N 3.13Å; S585-W587 PolarHBondContact O-N 3.41Å; S585-A588 WeakPolarHBondContact O-CA 3.15Å; S585-A588 WeakPolarHBondContact O-CB 3.26Å; S585-A588 PolarHBondContact O-N 2.9Å; S585-V589 WeakPolarHBondContact O-CG2 3.39Å; S585-V589 PolarHBondContact O-N 3.31Å
586	P	79.3	Confident	82.1	Confident	104 Å²	104	67.5 Å²	67.5	68%	0.675	34%	0.342	S	S	*	.	H	α-helix	trans	-54	-29.2	-179.7	-29.4	35.9	0	0	0	114.2
587	W	75.6	Confident	82.1	Confident	132 Å²	132	70.7 Å²	70.7	50%	0.5	36%	0.362	S	S	.	.	H	α-helix	trans	-71.2	-30.1	175.8	-58.1	109.9	0	0	0	113.5	S585 P591 Y816 T820	S585-W587 PolarHBondContact O-N 3.41Å; W587-P591 WeakPolarHBondContact O-CD 3.24Å; W587-P591 WeakPolarHBondContact O-CG 3.35Å; W587-Y816 HydrophobicContact CB-CD1 4.25Å; W587-Y816 AromaticContact CD1-CD1 3.98Å; W587-Y816 HydrophobicContact CG-CD1 4.37Å; W587-Y816 HydrophobicContact CG-CG 4.47Å; W587-T820 PolarHBondContact O-OG1 2.98Å
588	A	80.4	Confident	82.1	Confident	2 Å²	2	68.3 Å²	68.3	2%	0.017	35%	0.347	C	S	.	.	H	α-helix	trans	-83.1	-40.3	176.4	0	0	0	0	0	112.1	L581 S585 L590 P591 L592 I644	L581-A588 HydrophobicContact CD1-CB 4.42Å; S585-A588 WeakPolarHBondContact O-CA 3.15Å; S585-A588 WeakPolarHBondContact O-CB 3.26Å; S585-A588 PolarHBondContact O-N 2.9Å; A588-L590 PolarHBondContact O-N 2.6Å; A588-P591 WeakPolarHBondContact O-CD 3.06Å; A588-L592 VanDerWaalsContact O-CB 3.3Å; A588-L592 WeakPolarHBondContact O-CB 3.36Å; A588-L592 PolarHBondContact O-N 3.41Å; A588-I644 HydrophobicContact CB-CD1 4.37Å; A588-I644 HydrophobicContact CB-CG2 3.9Å
589	V	83.5	Confident	82.4	Confident	72 Å²	72	65.4 Å²	65.4	44%	0.436	33%	0.332	S	S	.	.	H	α-helix	trans	-60.4	-41.4	-176	173.8	0	0	0	0	112.6	W583 S585 L592 F593	W583-V589 WeakPolarHBondContact O-CG2 3.44Å; S585-V589 WeakPolarHBondContact O-CG2 3.39Å; S585-V589 PolarHBondContact O-N 3.31Å; V589-L592 PolarHBondContact O-N 2.93Å; V589-F593 WeakPolarHBondContact O-CB 3.49Å; V589-F593 PolarHBondContact O-N 2.65Å
590	L	80.6	Confident	82.9	Confident	103 Å²	103	66 Å²	66	54%	0.539	35%	0.345	S	S	.	.	H	α-helix	trans	-67.2	-50.5	-175.6	173.5	64.3	0	0	0	113.6	A588 L592 L594	A588-L590 PolarHBondContact O-N 2.6Å; L590-L592 VanDerWaalsContact C-N 3.32Å; L590-L592 PolarHBondContact O-N 3.15Å; L590-L594 HydrophobicContact CD1-CD1 4.31Å; L590-L594 WeakPolarHBondContact O-CG 3.29Å; L590-L594 PolarHBondContact O-N 2.8Å
591	P	80.2	Confident	83.2	Confident	5 Å²	5	64.6 Å²	64.6	3%	0.032	35%	0.347	C	S	.	.	H	α-helix	trans	-59.3	-39.9	171.4	-25.3	34.6	0	0	0	113.2	W587 A588 L594 A595 I644 T820 V824	W587-P591 WeakPolarHBondContact O-CD 3.24Å; W587-P591 WeakPolarHBondContact O-CG 3.35Å; A588-P591 WeakPolarHBondContact O-CD 3.06Å; P591-L594 PolarHBondContact O-N 3.32Å; P591-A595 WeakPolarHBondContact O-CB 3.38Å; P591-A595 PolarHBondContact O-N 3.2Å; P591-I644 HydrophobicContact CB-CD1 4.44Å; P591-T820 HydrophobicContact CG-CG2 4.01Å; P591-V824 HydrophobicContact CG-CG2 4.3Å
592	L	85.5	Confident	83.9	Confident	38 Å²	38	64.2 Å²	64.2	20%	0.199	35%	0.345	C	S	.	.	H	α-helix	trans	-61	-47.5	-179.2	-164.9	72.6	0	0	0	111.6	W583 A588 V589 L590 L594 A595 V596 F641 I644	W583-L592 HydrophobicContact CE3-CD1 4.46Å; W583-L592 HydrophobicContact CE3-CD2 4.25Å; W583-L592 HydrophobicContact CZ3-CD1 3.97Å; A588-L592 VanDerWaalsContact O-CB 3.3Å; A588-L592 WeakPolarHBondContact O-CB 3.36Å; A588-L592 PolarHBondContact O-N 3.41Å; V589-L592 PolarHBondContact O-N 2.93Å; L590-L592 VanDerWaalsContact C-N 3.32Å; L590-L592 PolarHBondContact O-N 3.15Å; L592-L594 PolarHBondContact O-N 2.99Å; L592-A595 PolarHBondContact O-N 3.31Å; L592-V596 WeakPolarHBondContact O-CG2 3.31Å; L592-V596 PolarHBondContact O-N 2.94Å; L592-F641 HydrophobicContact CD1-CD1 3.43Å; L592-F641 VanDerWaalsContact CD1-CD1 3.43Å; L592-F641 HydrophobicContact CD1-CE1 3.4Å; L592-F641 VanDerWaalsContact CD1-CE1 3.4Å; L592-F641 HydrophobicContact CD1-CG 4.08Å; L592-F641 HydrophobicContact CD1-CZ 4.01Å; L592-F641 HydrophobicContact CG-CE1 4.24Å; L592-I644 HydrophobicContact CB-CD1 4.35Å; L592-I644 HydrophobicContact CD1-CD1 4.33Å
593	F	86.7	Confident	84.3	Confident	132 Å²	132	62.7 Å²	62.7	58%	0.579	34%	0.34	S	S	*	.	H	α-helix	trans	-59.5	-45.2	175.6	177	-100.2	0	0	0	112.3	V589 A595 V596 V597	V589-F593 WeakPolarHBondContact O-CB 3.49Å; V589-F593 PolarHBondContact O-N 2.65Å; F593-A595 VanDerWaalsContact C-N 3.27Å; F593-A595 PolarHBondContact O-N 3.28Å; F593-V596 PolarHBondContact O-N 2.84Å; F593-V597 HydrophobicContact CE1-CG2 4.16Å; F593-V597 HydrophobicContact CE2-CG2 4.28Å; F593-V597 HydrophobicContact CZ-CG2 4Å; F593-V597 WeakPolarHBondContact O-CG2 3.26Å; F593-V597 PolarHBondContact O-N 2.82Å; F593-V597 VanDerWaalsContact O-N 3.09Å
594	L	84.4	Confident	84.7	Confident	69 Å²	69	63.3 Å²	63.3	36%	0.361	35%	0.346	S	S	.	.	H	α-helix	trans	-63	-34.3	177.3	-69.2	173.5	0	0	0	112.3	L590 P591 L592 G598	L590-L594 HydrophobicContact CD1-CD1 4.31Å; L590-L594 WeakPolarHBondContact O-CG 3.29Å; L590-L594 PolarHBondContact O-N 2.8Å; P591-L594 PolarHBondContact O-N 3.32Å; L592-L594 PolarHBondContact O-N 2.99Å; L594-G598 PolarHBondContact O-N 3.19Å
595	A	87.2	Confident	85.1	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-72.7	-40.6	176.6	0	0	0	0	0	113.1	P591 L592 F593 G598 I599 Y637 T640 F641	P591-A595 WeakPolarHBondContact O-CB 3.38Å; P591-A595 PolarHBondContact O-N 3.2Å; L592-A595 PolarHBondContact O-N 3.31Å; F593-A595 VanDerWaalsContact C-N 3.27Å; F593-A595 PolarHBondContact O-N 3.28Å; A595-G598 WeakPolarHBondContact O-CA 3.45Å; A595-G598 PolarHBondContact O-N 3.12Å; A595-I599 WeakPolarHBondContact O-CG1 3.31Å; A595-I599 PolarHBondContact O-N 3.06Å; A595-Y637 HydrophobicContact CB-CD1 4.38Å; A595-T640 HydrophobicContact CB-CG2 4.19Å; A595-T640 WeakPolarHBondContact CB-OG1 3.35Å; A595-F641 HydrophobicContact CB-CE2 3.87Å; A595-F641 HydrophobicContact CB-CZ 4.48Å
596	V	89.6	Confident	85.3	Confident	80 Å²	80	59.9 Å²	59.9	49%	0.485	33%	0.329	S	S	.	.	H	α-helix	trans	-59.1	-47.6	173.3	172.2	0	0	0	0	110.8	L592 F593 G598 I599 A600 F641	L592-V596 WeakPolarHBondContact O-CG2 3.31Å; L592-V596 PolarHBondContact O-N 2.94Å; F593-V596 PolarHBondContact O-N 2.84Å; V596-G598 VanDerWaalsContact C-N 3.3Å; V596-G598 PolarHBondContact O-N 3.36Å; V596-I599 PolarHBondContact O-N 2.86Å; V596-A600 PolarHBondContact O-N 2.92Å; V596-F641 HydrophobicContact CG2-CE1 4.43Å; V596-F641 HydrophobicContact CG2-CZ 3.84Å
597	V	88.6	Confident	85.7	Confident	76 Å²	76	60.4 Å²	60.4	46%	0.461	33%	0.325	S	S	.	.	H	α-helix	trans	-63	-37.9	175.8	174.7	0	0	0	0	111.3	F593 A601	F593-V597 HydrophobicContact CE1-CG2 4.16Å; F593-V597 HydrophobicContact CE2-CG2 4.28Å; F593-V597 HydrophobicContact CZ-CG2 4Å; F593-V597 WeakPolarHBondContact O-CG2 3.26Å; F593-V597 PolarHBondContact O-N 2.82Å; F593-V597 VanDerWaalsContact O-N 3.09Å; V597-A601 WeakPolarHBondContact O-CB 3.49Å; V597-A601 PolarHBondContact O-N 3.44Å
598	G	85.1	Confident	86.2	Confident	5 Å²	5	56.2 Å²	56.2	5%	0.052	31%	0.314	C	S	.	.	H	α-helix	trans	-60.7	-47.3	174	0	0	0	0	0	113.5	L594 A595 V596 A601 T602	L594-G598 PolarHBondContact O-N 3.19Å; A595-G598 WeakPolarHBondContact O-CA 3.45Å; A595-G598 PolarHBondContact O-N 3.12Å; V596-G598 VanDerWaalsContact C-N 3.3Å; V596-G598 PolarHBondContact O-N 3.36Å; G598-A601 PolarHBondContact O-N 3.14Å; G598-T602 WeakPolarHBondContact O-CG2 3.32Å; G598-T602 PolarHBondContact O-N 2.84Å; G598-T602 PolarHBondContact O-OG1 3.17Å
599	I	89.6	Confident	86.3	Confident	32 Å²	32	58.5 Å²	58.5	16%	0.164	32%	0.323	C	S	.	.	H	α-helix	trans	-65.1	-45.6	178	-71	166.2	0	0	0	111	A595 V596 A601 T602 L603 F634 Y637 F641	A595-I599 WeakPolarHBondContact O-CG1 3.31Å; A595-I599 PolarHBondContact O-N 3.06Å; V596-I599 PolarHBondContact O-N 2.86Å; I599-A601 VanDerWaalsContact C-N 3.27Å; I599-A601 PolarHBondContact O-N 3.31Å; I599-T602 WeakPolarHBondContact CA-OG1 3.35Å; I599-T602 PolarHBondContact O-N 3.4Å; I599-T602 PolarHBondContact O-OG1 3.04Å; I599-L603 HydrophobicContact CG2-CD1 3.76Å; I599-L603 HydrophobicContact CG2-CG 4.25Å; I599-L603 WeakPolarHBondContact O-CB 3.04Å; I599-L603 WeakPolarHBondContact O-CG 3.23Å; I599-L603 PolarHBondContact O-N 3.08Å; I599-F634 HydrophobicContact CG2-CD2 4.34Å; I599-F634 HydrophobicContact CG2-CE2 3.91Å; I599-Y637 HydrophobicContact CG1-CG 4.42Å; I599-F641 HydrophobicContact CD1-CE2 3.73Å; I599-F641 HydrophobicContact CD1-CZ 4.34Å
600	A	89.9	Confident	86.4	Confident	60 Å²	60	59.3 Å²	59.3	50%	0.496	33%	0.328	S	S	.	.	H	α-helix	trans	-58.2	-41.9	176	0	0	0	0	0	111.6	V596 F604	V596-A600 PolarHBondContact O-N 2.92Å; A600-F604 WeakPolarHBondContact O-CB 3.04Å; A600-F604 PolarHBondContact O-N 3.4Å
601	A	86.6	Confident	86.6	Confident	44 Å²	44	62.7 Å²	62.7	36%	0.364	33%	0.334	S	S	.	.	H	α-helix	trans	-68.1	-38.7	176.6	0	0	0	0	0	113.3	V597 G598 I599 V605	V597-A601 WeakPolarHBondContact O-CB 3.49Å; V597-A601 PolarHBondContact O-N 3.44Å; G598-A601 PolarHBondContact O-N 3.14Å; I599-A601 VanDerWaalsContact C-N 3.27Å; I599-A601 PolarHBondContact O-N 3.31Å; A601-V605 WeakPolarHBondContact O-CG2 3.12Å; A601-V605 PolarHBondContact O-N 3.18Å
602	T	88.3	Confident	86.9	Confident	12 Å²	12	68.9 Å²	68.9	7%	0.074	36%	0.358	C	S	.	.	H	α-helix	trans	-68.7	-42.5	175.8	53.8	0	0	0	0	111.8	G598 I599 F604 V605 V606 I633 Y637	G598-T602 WeakPolarHBondContact O-CG2 3.32Å; G598-T602 PolarHBondContact O-N 2.84Å; G598-T602 PolarHBondContact O-OG1 3.17Å; I599-T602 WeakPolarHBondContact CA-OG1 3.35Å; I599-T602 PolarHBondContact O-N 3.4Å; I599-T602 PolarHBondContact O-OG1 3.04Å; T602-F604 PolarHBondContact O-N 2.97Å; T602-V605 PolarHBondContact O-N 3.11Å; T602-V606 WeakPolarHBondContact O-CG2 3.16Å; T602-V606 PolarHBondContact O-N 3.36Å; T602-I633 HydrophobicContact CG2-CB 4.45Å; T602-I633 HydrophobicContact CG2-CG2 3.7Å; T602-Y637 HydrophobicContact CG2-CD2 4.15Å; T602-Y637 HydrophobicContact CG2-CE2 3.98Å
603	L	88.6	Confident	86.7	Confident	80 Å²	80	68.9 Å²	68.9	42%	0.419	36%	0.358	S	S	.	.	H	α-helix	trans	-61	-44.5	176.6	-70.4	172.5	0	0	0	111.6	I599 V605 V606 I607 F634	I599-L603 HydrophobicContact CG2-CD1 3.76Å; I599-L603 HydrophobicContact CG2-CG 4.25Å; I599-L603 WeakPolarHBondContact O-CB 3.04Å; I599-L603 WeakPolarHBondContact O-CG 3.23Å; I599-L603 PolarHBondContact O-N 3.08Å; L603-V605 VanDerWaalsContact C-N 3.32Å; L603-V605 PolarHBondContact O-N 3.07Å; L603-V606 PolarHBondContact O-N 2.87Å; L603-I607 WeakPolarHBondContact O-CB 3.48Å; L603-I607 WeakPolarHBondContact O-CD1 3.23Å; L603-I607 VanDerWaalsContact O-CG1 3.25Å; L603-I607 WeakPolarHBondContact O-CG1 3.32Å; L603-I607 PolarHBondContact O-N 3.39Å; L603-F634 HydrophobicContact CD2-CE2 4.42Å
604	F	89.7	Confident	86.4	Confident	138 Å²	138	67.8 Å²	67.8	61%	0.605	36%	0.358	S	S	*	.	H	α-helix	trans	-57.7	-42.5	174.3	177.5	-97.8	0	0	0	112.6	A600 T602 T608	A600-F604 WeakPolarHBondContact O-CB 3.04Å; A600-F604 PolarHBondContact O-N 3.4Å; T602-F604 PolarHBondContact O-N 2.97Å; F604-T608 WeakPolarHBondContact O-CB 3.34Å; F604-T608 PolarHBondContact O-N 2.75Å; F604-T608 PolarHBondContact O-OG1 3.31Å
605	V	86.5	Confident	86.2	Confident	28 Å²	28	66.9 Å²	66.9	17%	0.17	36%	0.355	C	S	.	.	H	α-helix	trans	-67.9	-42.9	176.2	173.2	0	0	0	0	111.5	A601 T602 L603 T608 F609 L630	A601-V605 WeakPolarHBondContact O-CG2 3.12Å; A601-V605 PolarHBondContact O-N 3.18Å; T602-V605 PolarHBondContact O-N 3.11Å; L603-V605 VanDerWaalsContact C-N 3.32Å; L603-V605 PolarHBondContact O-N 3.07Å; V605-T608 PolarHBondContact O-N 3.05Å; V605-F609 HydrophobicContact CG1-CD2 3.81Å; V605-F609 HydrophobicContact CG1-CE2 3.87Å; V605-F609 WeakPolarHBondContact O-CD2 3.28Å; V605-F609 PolarHBondContact O-N 3.25Å; V605-L630 HydrophobicContact CB-CD2 4.43Å; V605-L630 HydrophobicContact CG1-CD1 4.11Å; V605-L630 HydrophobicContact CG1-CD2 3.83Å
606	V	86.6	Confident	85.6	Confident	46 Å²	46	71.8 Å²	71.8	28%	0.279	39%	0.387	S	S	.	.	H	α-helix	trans	-60.6	-49	176.5	169.5	0	0	0	0	111	T602 L603 T608 F609 V610 L630	T602-V606 WeakPolarHBondContact O-CG2 3.16Å; T602-V606 PolarHBondContact O-N 3.36Å; L603-V606 PolarHBondContact O-N 2.87Å; V606-T608 VanDerWaalsContact C-N 3.28Å; V606-T608 PolarHBondContact O-N 2.63Å; V606-F609 PolarHBondContact O-N 2.86Å; V606-V610 HydrophobicContact CG1-CG2 4.4Å; V606-V610 WeakPolarHBondContact O-CG2 3.24Å; V606-V610 PolarHBondContact O-N 3.04Å; V606-L630 HydrophobicContact CG2-CB 3.89Å; V606-L630 HydrophobicContact CG2-CD1 3.91Å; V606-L630 HydrophobicContact CG2-CG 4.32Å
607	I	87.2	Confident	85	Confident	114 Å²	114	74 Å²	74	59%	0.585	40%	0.395	S	S	*	.	H	α-helix	trans	-57.7	-42.9	177.1	-68.4	163.5	0	0	0	110.5	L603 V610 R611	L603-I607 WeakPolarHBondContact O-CB 3.48Å; L603-I607 WeakPolarHBondContact O-CD1 3.23Å; L603-I607 VanDerWaalsContact O-CG1 3.25Å; L603-I607 WeakPolarHBondContact O-CG1 3.32Å; L603-I607 PolarHBondContact O-N 3.39Å; I607-V610 PolarHBondContact O-N 3.42Å; I607-R611 WeakPolarHBondContact O-CB 3.15Å; I607-R611 PolarHBondContact O-N 3.24Å
608	T	85.1	Confident	84.4	Confident	44 Å²	44	71.2 Å²	71.2	27%	0.27	38%	0.378	S	S	.	.	H	α-helix	trans	-63.7	-45.5	176.6	-56.4	0	0	0	0	111.9	F604 V605 V606 R611 Y612	F604-T608 WeakPolarHBondContact O-CB 3.34Å; F604-T608 PolarHBondContact O-N 2.75Å; F604-T608 PolarHBondContact O-OG1 3.31Å; V605-T608 PolarHBondContact O-N 3.05Å; V606-T608 VanDerWaalsContact C-N 3.28Å; V606-T608 PolarHBondContact O-N 2.63Å; T608-R611 PolarHBondContact O-N 3.17Å; T608-Y612 HydrophobicContact CG2-CD2 4.07Å; T608-Y612 WeakPolarHBondContact O-CD2 3.4Å; T608-Y612 PolarHBondContact O-N 3.17Å; T608-Y612 VanDerWaalsContact O-N 3.1Å
609	F	82.4	Confident	83.9	Confident	50 Å²	50	75.5 Å²	75.5	22%	0.219	40%	0.395	C	S	.	.	H	α-helix	trans	-63.1	-42	178.1	-93.6	-114.6	0	0	0	112.1	V605 V606 Y612 N613 V618 Y627 L630	V605-F609 HydrophobicContact CG1-CD2 3.81Å; V605-F609 HydrophobicContact CG1-CE2 3.87Å; V605-F609 WeakPolarHBondContact O-CD2 3.28Å; V605-F609 PolarHBondContact O-N 3.25Å; V606-F609 PolarHBondContact O-N 2.86Å; F609-Y612 CarbonylContact O-C 3.6Å; F609-N613 WeakPolarHBondContact O-CA 3.04Å; F609-N613 WeakPolarHBondContact O-CB 3.29Å; F609-N613 PolarHBondContact O-N 2.98Å; F609-V618 HydrophobicContact CD1-CG1 4.22Å; F609-Y627 HydrophobicContact CB-CE1 4.05Å; F609-Y627 PolarHBondContact O-OH 3.23Å; F609-L630 HydrophobicContact CG-CD1 4.49Å
610	V	85.5	Confident	83	Confident	90 Å²	90	76.9 Å²	76.9	55%	0.545	41%	0.411	S	S	.	.	H	α-helix	trans	-66.8	-43.7	175.6	174.1	0	0	0	0	111	V606 I607 Y612 N613 Y627	V606-V610 HydrophobicContact CG1-CG2 4.4Å; V606-V610 WeakPolarHBondContact O-CG2 3.24Å; V606-V610 PolarHBondContact O-N 3.04Å; I607-V610 PolarHBondContact O-N 3.42Å; V610-Y612 VanDerWaalsContact C-N 3.29Å; V610-Y612 PolarHBondContact O-N 3.07Å; V610-N613 VanDerWaalsContact O-CB 3.28Å; V610-N613 WeakPolarHBondContact O-CB 3.38Å; V610-N613 PolarHBondContact O-N 2.94Å; V610-Y627 HydrophobicContact CG2-CE1 3.86Å
611	R	86.4	Confident	82.2	Confident	174 Å²	174	75.1 Å²	75.1	66%	0.657	40%	0.395	S	S	*	.	H	α-helix	trans	-67.8	-26.4	-177.3	-175.5	59.1	-172.8	87.8	-7.9	113.9	I607 T608	I607-R611 WeakPolarHBondContact O-CB 3.15Å; I607-R611 PolarHBondContact O-N 3.24Å; T608-R611 PolarHBondContact O-N 3.17Å
612	Y	85	Confident	81.8	Confident	135 Å²	135	73.6 Å²	73.6	53%	0.529	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	23.3	179.6	-63.9	-75.5	0	0	0	113.2	T608 F609 V610 D614 T615	T608-Y612 HydrophobicContact CG2-CD2 4.07Å; T608-Y612 WeakPolarHBondContact O-CD2 3.4Å; T608-Y612 PolarHBondContact O-N 3.17Å; T608-Y612 VanDerWaalsContact O-N 3.1Å; F609-Y612 CarbonylContact O-C 3.6Å; V610-Y612 VanDerWaalsContact C-N 3.29Å; V610-Y612 PolarHBondContact O-N 3.07Å; Y612-D614 PolarHBondContact O-N 3.3Å; Y612-T615 HydrophobicContact CD1-CG2 4.34Å; Y612-T615 WeakPolarHBondContact O-CB 3.48Å; Y612-T615 WeakPolarHBondContact O-CG2 3.48Å; Y612-T615 PolarHBondContact O-N 3.44Å; Y612-T615 PolarHBondContact O-OG1 2.76Å
613	N	81.7	Confident	81.4	Confident	37 Å²	37	76 Å²	76	20%	0.198	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-21.5	-173.5	-169.6	52.5	0	0	0	114.6	F609 V610 R623 Y627	F609-N613 WeakPolarHBondContact O-CA 3.04Å; F609-N613 WeakPolarHBondContact O-CB 3.29Å; F609-N613 PolarHBondContact O-N 2.98Å; V610-N613 VanDerWaalsContact O-CB 3.28Å; V610-N613 WeakPolarHBondContact O-CB 3.38Å; V610-N613 PolarHBondContact O-N 2.94Å; N613-R623 PolarHBondContact ND2-NH1 3.16Å; N613-R623 WeakPolarHBondContact O-CD 3.23Å; N613-R623 PolarHBondContact O-NH1 3.23Å; N613-R623 WeakPolarHBondContact OD1-CD 3.16Å; N613-Y627 PolarHBondContact OD1-OH 2.97Å
614	D	79.5	Confident	81.3	Confident	110 Å²	110	75.7 Å²	75.7	59%	0.588	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-4.8	-179.3	-79.7	-65.8	0	0	0	115.9	Y612 K619 R623	Y612-D614 PolarHBondContact O-N 3.3Å; D614-K619 WeakPolarHBondContact O-CD 3.37Å; D614-K619 WeakPolarHBondContact O-CE 3.44Å; D614-K619 PolarHBondContact O-NZ 3.41Å; D614-K619 WeakPolarHBondContact OD1-CE 3.31Å; D614-K619 IonicContact OD1-NZ 2.78Å; D614-K619 PolarHBondContact OD1-NZ 3.44Å; D614-R623 IonicContact OD1-NH1 2.72Å
615	T	81.9	Confident	81	Confident	49 Å²	49	69.3 Å²	69.3	30%	0.301	36%	0.361	S	S	.	.	S	Bend	trans	-63.5	145.7	175.1	59.8	0	0	0	0	111.7	Y612 I617 V618 K619	Y612-T615 HydrophobicContact CD1-CG2 4.34Å; Y612-T615 WeakPolarHBondContact O-CB 3.48Å; Y612-T615 WeakPolarHBondContact O-CG2 3.48Å; Y612-T615 PolarHBondContact O-N 3.44Å; Y612-T615 PolarHBondContact O-OG1 2.76Å; T615-I617 PolarHBondContact O-N 2.9Å; T615-V618 PolarHBondContact O-N 3.11Å; T615-V618 VanDerWaalsContact OG1-CG2 3.31Å; T615-V618 WeakPolarHBondContact OG1-CG2 3.08Å; T615-K619 PolarHBondContact O-N 3.3Å
616	P	74.2	Confident	81	Confident	104 Å²	104	68.3 Å²	68.3	68%	0.675	36%	0.355	S	S	*	.	H	α-helix	trans	-62.7	-30.9	-177	23.9	-33.6	0	0	0	112.7	A620	P616-A620 VanDerWaalsContact O-CB 3.28Å; P616-A620 WeakPolarHBondContact O-CB 3.36Å; P616-A620 PolarHBondContact O-N 3.09Å
617	I	76.3	Confident	81	Confident	125 Å²	125	68.7 Å²	68.7	64%	0.641	35%	0.352	S	S	*	.	H	α-helix	trans	-64.5	-49.3	178	-56.8	175.3	0	0	0	110.8	T615 A620 S621	T615-I617 PolarHBondContact O-N 2.9Å; I617-A620 PolarHBondContact O-N 3.31Å; I617-S621 PolarHBondContact O-N 3.32Å; I617-S621 VanDerWaalsContact O-N 3.14Å
618	V	77.1	Confident	81.2	Confident	18 Å²	18	64.4 Å²	64.4	11%	0.109	33%	0.331	C	S	.	.	H	α-helix	trans	-66	-41.4	178.9	173.4	0	0	0	0	110.6	F609 T615 G622 R623	F609-V618 HydrophobicContact CD1-CG1 4.22Å; T615-V618 PolarHBondContact O-N 3.11Å; T615-V618 VanDerWaalsContact OG1-CG2 3.31Å; T615-V618 WeakPolarHBondContact OG1-CG2 3.08Å; V618-G622 PolarHBondContact O-N 2.7Å; V618-R623 HydrophobicContact CG1-CG 3.99Å; V618-R623 WeakPolarHBondContact O-CG 3.36Å
619	K	73.9	Confident	81.3	Confident	96 Å²	96	63.2 Å²	63.2	42%	0.417	32%	0.322	S	S	.	.	H	α-helix	trans	-59.5	-47.6	173.5	-77.5	171.2	171.4	153.7	0	112.7	D614 T615 S621 G622	D614-K619 WeakPolarHBondContact O-CD 3.37Å; D614-K619 WeakPolarHBondContact O-CE 3.44Å; D614-K619 PolarHBondContact O-NZ 3.41Å; D614-K619 WeakPolarHBondContact OD1-CE 3.31Å; D614-K619 IonicContact OD1-NZ 2.78Å; D614-K619 PolarHBondContact OD1-NZ 3.44Å; T615-K619 PolarHBondContact O-N 3.3Å; K619-S621 PolarHBondContact O-N 3.05Å; K619-G622 PolarHBondContact O-N 2.86Å
620	A	70.5	Confident	81.6	Confident	60 Å²	60	61.9 Å²	61.9	50%	0.496	32%	0.318	S	S	.	.	H	α-helix	trans	-62.5	-44.4	-178.9	0	0	0	0	0	112.9	P616 I617 G622 R676	P616-A620 VanDerWaalsContact O-CB 3.28Å; P616-A620 WeakPolarHBondContact O-CB 3.36Å; P616-A620 PolarHBondContact O-N 3.09Å; I617-A620 PolarHBondContact O-N 3.31Å; A620-G622 PolarHBondContact O-N 3.42Å; A620-R676 PolarHBondContact O-NH1 2.98Å; A620-R676 VanDerWaalsContact O-NH1 3.08Å; A620-R676 PolarHBondContact O-NH2 3.04Å
621	S	74	Confident	81.8	Confident	23 Å²	23	60.3 Å²	60.3	16%	0.161	31%	0.314	C	S	.	.	H	α-helix	trans	-60.8	-26.9	179.5	-173	0	0	0	0	112.7	I617 K619 K673 R676 E783	I617-S621 PolarHBondContact O-N 3.32Å; I617-S621 VanDerWaalsContact O-N 3.14Å; K619-S621 PolarHBondContact O-N 3.05Å; S621-K673 WeakPolarHBondContact O-CE 3.49Å; S621-K673 PolarHBondContact O-NZ 3.44Å; S621-K673 PolarHBondContact OG-NZ 3.22Å; S621-R676 PolarHBondContact O-NH1 2.96Å; S621-E783 WeakPolarHBondContact CB-OE2 3.41Å; S621-E783 VanDerWaalsContact OG-CD 3.31Å; S621-E783 PolarHBondContact OG-OE1 2.97Å; S621-E783 PolarHBondContact OG-OE2 2.88Å
622	G	76.8	Confident	81.9	Confident	13 Å²	13	52 Å²	52	13%	0.134	28%	0.283	C	S	.	.			trans	95.7	97.5	179.6	0	0	0	0	0	110.5	V618 K619 A620 S626	V618-G622 PolarHBondContact O-N 2.7Å; K619-G622 PolarHBondContact O-N 2.86Å; A620-G622 PolarHBondContact O-N 3.42Å; G622-S626 WeakPolarHBondContact O-CB 3.42Å; G622-S626 PolarHBondContact O-N 2.84Å; G622-S626 PolarHBondContact O-OG 3.2Å
623	R	80.8	Confident	82.1	Confident	62 Å²	62	46.7 Å²	46.7	23%	0.234	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-53	-168.2	-45.7	-169.5	-61.2	-171	-0.1	111.5	N613 D614 V618 L625 S626 Y627	N613-R623 PolarHBondContact ND2-NH1 3.16Å; N613-R623 WeakPolarHBondContact O-CD 3.23Å; N613-R623 PolarHBondContact O-NH1 3.23Å; N613-R623 WeakPolarHBondContact OD1-CD 3.16Å; D614-R623 IonicContact OD1-NH1 2.72Å; V618-R623 HydrophobicContact CG1-CG 3.99Å; V618-R623 WeakPolarHBondContact O-CG 3.36Å; R623-L625 PolarHBondContact O-N 2.93Å; R623-S626 CarbonylContact O-C 3.57Å; R623-S626 WeakPolarHBondContact O-CA 3.4Å; R623-S626 WeakPolarHBondContact O-CB 3.38Å; R623-S626 PolarHBondContact O-N 3.41Å; R623-Y627 HydrophobicContact CB-CD2 4.48Å; R623-Y627 HydrophobicContact CB-CE2 4.06Å; R623-Y627 VanDerWaalsContact O-CD2 3.28Å; R623-Y627 WeakPolarHBondContact O-CD2 3.46Å; R623-Y627 PolarHBondContact O-N 3.21Å
624	E	85.4	Confident	82.5	Confident	73 Å²	73	49.1 Å²	49.1	34%	0.341	27%	0.272	S	S	.	.	H	α-helix	trans	-58.7	-48.6	-174	-36.2	-42.7	132.8	0	0	112.8	S626 Y627 V628 P696 L700	E624-S626 PolarHBondContact O-N 3.5Å; E624-Y627 PolarHBondContact O-N 2.9Å; E624-V628 WeakPolarHBondContact O-CG2 3.2Å; E624-V628 PolarHBondContact O-N 3.14Å; E624-P696 HydrophobicContact CG-CB 4.41Å; E624-L700 HydrophobicContact CB-CD1 3.95Å; E624-L700 HydrophobicContact CB-CD2 3.91Å; E624-L700 HydrophobicContact CB-CG 4.07Å; E624-L700 HydrophobicContact CG-CD1 4.3Å
625	L	84.2	Confident	82.9	Confident	5 Å²	5	45.4 Å²	45.4	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-29.5	175.4	-65.8	-179.3	0	0	0	112.8	R623 L629 T672 K673 Q699 T703	R623-L625 PolarHBondContact O-N 2.93Å; L625-L629 WeakPolarHBondContact O-CB 3.31Å; L625-L629 PolarHBondContact O-N 2.79Å; L625-T672 HydrophobicContact CD1-CG2 4Å; L625-T672 HydrophobicContact CD2-CG2 4.05Å; L625-K673 HydrophobicContact CD1-CB 4.37Å; L625-Q699 HydrophobicContact CD1-CB 4.18Å; L625-Q699 HydrophobicContact CD2-CB 4.24Å; L625-Q699 HydrophobicContact CG-CB 4.4Å; L625-T703 VanDerWaalsContact CD2-OG1 3.25Å; L625-T703 WeakPolarHBondContact CD2-OG1 3.42Å
626	S	86.6	Confident	83.2	Confident	7 Å²	7	43.2 Å²	43.2	5%	0.049	24%	0.239	C	C	.	.	H	α-helix	trans	-77	-34.1	178.7	-54.6	0	0	0	0	111.5	G622 R623 E624 L630 K673	G622-S626 WeakPolarHBondContact O-CB 3.42Å; G622-S626 PolarHBondContact O-N 2.84Å; G622-S626 PolarHBondContact O-OG 3.2Å; R623-S626 CarbonylContact O-C 3.57Å; R623-S626 WeakPolarHBondContact O-CA 3.4Å; R623-S626 WeakPolarHBondContact O-CB 3.38Å; R623-S626 PolarHBondContact O-N 3.41Å; E624-S626 PolarHBondContact O-N 3.5Å; S626-L630 WeakPolarHBondContact O-CB 3.2Å; S626-L630 VanDerWaalsContact O-CG 3.28Å; S626-L630 WeakPolarHBondContact O-CG 3.5Å; S626-L630 PolarHBondContact O-N 3.08Å; S626-K673 PolarHBondContact OG-NZ 2.95Å
627	Y	87.6	Confident	83.8	Confident	54 Å²	54	39.6 Å²	39.6	21%	0.212	21%	0.212	C	C	.	.	H	α-helix	trans	-66.7	-44.1	169.6	-67.5	-57.1	0	0	0	112.1	F609 V610 N613 R623 E624 L629 L630 A631	F609-Y627 HydrophobicContact CB-CE1 4.05Å; F609-Y627 PolarHBondContact O-OH 3.23Å; V610-Y627 HydrophobicContact CG2-CE1 3.86Å; N613-Y627 PolarHBondContact OD1-OH 2.97Å; R623-Y627 HydrophobicContact CB-CD2 4.48Å; R623-Y627 HydrophobicContact CB-CE2 4.06Å; R623-Y627 VanDerWaalsContact O-CD2 3.28Å; R623-Y627 WeakPolarHBondContact O-CD2 3.46Å; R623-Y627 PolarHBondContact O-N 3.21Å; E624-Y627 PolarHBondContact O-N 2.9Å; Y627-L629 VanDerWaalsContact C-N 3.32Å; Y627-L629 PolarHBondContact O-N 2.89Å; Y627-L630 PolarHBondContact O-N 3.41Å; Y627-A631 WeakPolarHBondContact O-CB 3.3Å; Y627-A631 PolarHBondContact O-N 3.18Å
628	V	89.6	Confident	84.4	Confident	23 Å²	23	35 Å²	35	14%	0.139	19%	0.193	C	C	.	.	H	α-helix	trans	-60.2	-42.1	175	177.3	0	0	0	0	111.3	E624 A631 G632 I665 A669 L700 T703 I707	E624-V628 WeakPolarHBondContact O-CG2 3.2Å; E624-V628 PolarHBondContact O-N 3.14Å; V628-A631 PolarHBondContact O-N 3.37Å; V628-G632 PolarHBondContact O-N 2.84Å; V628-I665 HydrophobicContact CG1-CG2 3.79Å; V628-I665 WeakPolarHBondContact O-CG2 3.38Å; V628-A669 HydrophobicContact CB-CB 4.49Å; V628-A669 HydrophobicContact CG1-CB 4.19Å; V628-L700 HydrophobicContact CG2-CD2 3.99Å; V628-T703 HydrophobicContact CG1-CG2 4.04Å; V628-I707 HydrophobicContact CG1-CD1 4.43Å
629	L	88.6	Confident	84.9	Confident	19 Å²	19	34.4 Å²	34.4	10%	0.099	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-43.8	174.7	178	57.1	0	0	0	112.6	L625 Y627 G632 I633 S666 A669 L670	L625-L629 WeakPolarHBondContact O-CB 3.31Å; L625-L629 PolarHBondContact O-N 2.79Å; Y627-L629 VanDerWaalsContact C-N 3.32Å; Y627-L629 PolarHBondContact O-N 2.89Å; L629-G632 PolarHBondContact O-N 3.38Å; L629-I633 HydrophobicContact CD1-CD1 3.91Å; L629-I633 HydrophobicContact CD1-CG1 4.26Å; L629-I633 HydrophobicContact CG-CD1 3.96Å; L629-I633 VanDerWaalsContact O-CG1 3.29Å; L629-I633 WeakPolarHBondContact O-CG1 3.4Å; L629-I633 PolarHBondContact O-N 3.13Å; L629-S666 WeakPolarHBondContact CD1-O 3.29Å; L629-A669 HydrophobicContact CB-CB 3.95Å; L629-L670 HydrophobicContact CD1-CD1 4.15Å; L629-L670 HydrophobicContact CD1-CD2 4.42Å; L629-L670 HydrophobicContact CD1-CG 3.9Å; L629-L670 HydrophobicContact CD2-CD2 3.79Å; L629-L670 HydrophobicContact CD2-CG 4.15Å
630	L	88.2	Confident	85.5	Confident	22 Å²	22	29.9 Å²	29.9	12%	0.115	17%	0.169	C	C	.	.	H	α-helix	trans	-66.8	-36.8	178.3	-73.6	166.2	0	0	0	112.1	V605 V606 F609 S626 Y627 I633 F634	V605-L630 HydrophobicContact CB-CD2 4.43Å; V605-L630 HydrophobicContact CG1-CD1 4.11Å; V605-L630 HydrophobicContact CG1-CD2 3.83Å; V606-L630 HydrophobicContact CG2-CB 3.89Å; V606-L630 HydrophobicContact CG2-CD1 3.91Å; V606-L630 HydrophobicContact CG2-CG 4.32Å; F609-L630 HydrophobicContact CG-CD1 4.49Å; S626-L630 WeakPolarHBondContact O-CB 3.2Å; S626-L630 VanDerWaalsContact O-CG 3.28Å; S626-L630 WeakPolarHBondContact O-CG 3.5Å; S626-L630 PolarHBondContact O-N 3.08Å; Y627-L630 PolarHBondContact O-N 3.41Å; L630-I633 PolarHBondContact O-N 3.01Å; L630-F634 WeakPolarHBondContact O-CB 3.32Å; L630-F634 PolarHBondContact O-N 3.49Å
631	A	89.9	Confident	86.3	Confident	58 Å²	58	30.1 Å²	30.1	48%	0.479	16%	0.16	S	C	.	.	H	α-helix	trans	-64.2	-42.6	173.3	0	0	0	0	0	112.2	Y627 V628 F634 L635	Y627-A631 WeakPolarHBondContact O-CB 3.3Å; Y627-A631 PolarHBondContact O-N 3.18Å; V628-A631 PolarHBondContact O-N 3.37Å; A631-F634 PolarHBondContact O-N 2.9Å; A631-L635 WeakPolarHBondContact O-CB 3.32Å; A631-L635 PolarHBondContact O-N 3.02Å
632	G	88.8	Confident	86.9	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.4	-46.1	173	0	0	0	0	0	112.6	V628 L629 L635 C636 S666	V628-G632 PolarHBondContact O-N 2.84Å; L629-G632 PolarHBondContact O-N 3.38Å; G632-L635 PolarHBondContact O-N 3.37Å; G632-C636 PolarHBondContact O-N 2.95Å; G632-C636 PolarHBondContact O-SG 3.01Å; G632-S666 VanDerWaalsContact C-OG 3.22Å; G632-S666 WeakPolarHBondContact CA-OG 3.44Å
633	I	88.8	Confident	87.1	Confident	23 Å²	23	31.3 Å²	31.3	12%	0.118	16%	0.16	C	C	.	.	H	α-helix	trans	-66.7	-40	178.7	-63.2	164.5	0	0	0	111.5	T602 L629 L630 L635 C636 Y637 S666	T602-I633 HydrophobicContact CG2-CB 4.45Å; T602-I633 HydrophobicContact CG2-CG2 3.7Å; L629-I633 HydrophobicContact CD1-CD1 3.91Å; L629-I633 HydrophobicContact CD1-CG1 4.26Å; L629-I633 HydrophobicContact CG-CD1 3.96Å; L629-I633 VanDerWaalsContact O-CG1 3.29Å; L629-I633 WeakPolarHBondContact O-CG1 3.4Å; L629-I633 PolarHBondContact O-N 3.13Å; L630-I633 PolarHBondContact O-N 3.01Å; I633-L635 VanDerWaalsContact C-N 3.34Å; I633-C636 PolarHBondContact O-N 3.27Å; I633-Y637 HydrophobicContact CG2-CD2 4.11Å; I633-Y637 HydrophobicContact CG2-CE2 3.7Å; I633-Y637 VanDerWaalsContact O-CD2 3.23Å; I633-Y637 WeakPolarHBondContact O-CD2 3.4Å; I633-Y637 PolarHBondContact O-N 3.32Å; I633-S666 PolarHBondContact N-OG 2.86Å
634	F	89.8	Confident	87.3	Confident	87 Å²	87	28.4 Å²	28.4	38%	0.382	15%	0.15	S	C	.	.	H	α-helix	trans	-59	-45.4	173	173.7	-90.4	0	0	0	111.2	I599 L603 L630 A631 C636 Y637 A638	I599-F634 HydrophobicContact CG2-CD2 4.34Å; I599-F634 HydrophobicContact CG2-CE2 3.91Å; L603-F634 HydrophobicContact CD2-CE2 4.42Å; L630-F634 WeakPolarHBondContact O-CB 3.32Å; L630-F634 PolarHBondContact O-N 3.49Å; A631-F634 PolarHBondContact O-N 2.9Å; F634-C636 VanDerWaalsContact C-N 3.35Å; F634-C636 PolarHBondContact O-N 2.85Å; F634-Y637 PolarHBondContact O-N 3.47Å; F634-Y637 VanDerWaalsContact O-N 3.14Å; F634-A638 PolarHBondContact O-N 3.48Å
635	L	88.8	Confident	87.4	Confident	33 Å²	33	25.9 Å²	25.9	17%	0.173	14%	0.141	C	C	.	.	H	α-helix	trans	-62.2	-39.6	177.4	-173.1	58.1	0	0	0	112.2	A631 G632 I633 Y637 A638 T639 F658 I665	A631-L635 WeakPolarHBondContact O-CB 3.32Å; A631-L635 PolarHBondContact O-N 3.02Å; G632-L635 PolarHBondContact O-N 3.37Å; I633-L635 VanDerWaalsContact C-N 3.34Å; L635-Y637 VanDerWaalsContact C-N 3.26Å; L635-Y637 PolarHBondContact O-N 2.87Å; L635-A638 PolarHBondContact O-N 3.35Å; L635-T639 WeakPolarHBondContact O-CG2 3.29Å; L635-T639 PolarHBondContact O-N 2.72Å; L635-T639 PolarHBondContact O-OG1 2.95Å; L635-F658 HydrophobicContact CD1-CB 4.38Å; L635-F658 HydrophobicContact CD1-CD1 3.82Å; L635-F658 HydrophobicContact CD1-CE1 4.22Å; L635-F658 HydrophobicContact CD1-CG 4.12Å; L635-F658 HydrophobicContact CD2-CD1 4.01Å; L635-F658 HydrophobicContact CG-CD1 4.37Å; L635-I665 HydrophobicContact CD2-CD1 4.13Å
636	C	87.5	Confident	87.4	Confident	3 Å²	3	30.1 Å²	30.1	2%	0.02	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-23.5	174.9	-66.7	0	0	0	0	114.6	G632 I633 F634 T639 M663	G632-C636 PolarHBondContact O-N 2.95Å; G632-C636 PolarHBondContact O-SG 3.01Å; I633-C636 PolarHBondContact O-N 3.27Å; F634-C636 VanDerWaalsContact C-N 3.35Å; F634-C636 PolarHBondContact O-N 2.85Å; C636-T639 PolarHBondContact O-OG1 3.4Å; C636-T639 VanDerWaalsContact O-OG1 3.09Å; C636-M663 HydrophobicContact CB-SD 4.44Å; C636-M663 PolarHBondContact SG-SD 3.01Å
637	Y	87.4	Confident	87.3	Confident	28 Å²	28	30.3 Å²	30.3	11%	0.11	16%	0.162	C	C	.	.	H	α-helix	trans	-83.8	-39.7	169	-71.2	-65.7	0	0	0	111.8	A595 I599 T602 I633 F634 L635 T639 T640 V827	A595-Y637 HydrophobicContact CB-CD1 4.38Å; I599-Y637 HydrophobicContact CG1-CG 4.42Å; T602-Y637 HydrophobicContact CG2-CD2 4.15Å; T602-Y637 HydrophobicContact CG2-CE2 3.98Å; I633-Y637 HydrophobicContact CG2-CD2 4.11Å; I633-Y637 HydrophobicContact CG2-CE2 3.7Å; I633-Y637 VanDerWaalsContact O-CD2 3.23Å; I633-Y637 WeakPolarHBondContact O-CD2 3.4Å; I633-Y637 PolarHBondContact O-N 3.32Å; F634-Y637 PolarHBondContact O-N 3.47Å; F634-Y637 VanDerWaalsContact O-N 3.14Å; L635-Y637 VanDerWaalsContact C-N 3.26Å; L635-Y637 PolarHBondContact O-N 2.87Å; Y637-T639 VanDerWaalsContact C-N 3.28Å; Y637-T639 PolarHBondContact O-N 3.35Å; Y637-T640 PolarHBondContact O-N 2.61Å; Y637-T640 VanDerWaalsContact O-N 3.17Å; Y637-T640 PolarHBondContact O-OG1 2.03Å; Y637-V827 HydrophobicContact CD1-CG2 4.01Å; Y637-V827 HydrophobicContact CE1-CB 4.19Å; Y637-V827 HydrophobicContact CE1-CG1 3.76Å; Y637-V827 HydrophobicContact CE1-CG2 3.75Å
638	A	88.6	Confident	87.1	Confident	29 Å²	29	32.3 Å²	32.3	24%	0.24	18%	0.176	C	C	.	.	H	α-helix	trans	-61.1	-33.5	178	0	0	0	0	0	112.9	F634 L635 T640 F641	F634-A638 PolarHBondContact O-N 3.48Å; L635-A638 PolarHBondContact O-N 3.35Å; A638-T640 PolarHBondContact O-N 3.28Å; A638-F641 PolarHBondContact O-N 2.86Å
639	T	87	Confident	86.9	Confident	5 Å²	5	35.9 Å²	35.9	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-23.6	176.3	49.6	0	0	0	0	114.2	L635 C636 Y637 F641 L642 M643 F658	L635-T639 WeakPolarHBondContact O-CG2 3.29Å; L635-T639 PolarHBondContact O-N 2.72Å; L635-T639 PolarHBondContact O-OG1 2.95Å; C636-T639 PolarHBondContact O-OG1 3.4Å; C636-T639 VanDerWaalsContact O-OG1 3.09Å; Y637-T639 VanDerWaalsContact C-N 3.28Å; Y637-T639 PolarHBondContact O-N 3.35Å; T639-F641 VanDerWaalsContact C-N 3.31Å; T639-F641 PolarHBondContact O-N 2.75Å; T639-L642 WeakPolarHBondContact O-CB 3.48Å; T639-L642 PolarHBondContact O-N 2.96Å; T639-M643 VanDerWaalsContact O-CG 3.26Å; T639-M643 WeakPolarHBondContact O-CG 3.32Å; T639-M643 PolarHBondContact O-N 3.19Å; T639-F658 HydrophobicContact CG2-CB 3.38Å
640	T	86.1	Confident	86.8	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.7	-37.1	179.7	64.6	0	0	0	0	112.4	A595 Y637 A638 M643 I644 T823	A595-T640 HydrophobicContact CB-CG2 4.19Å; A595-T640 WeakPolarHBondContact CB-OG1 3.35Å; Y637-T640 PolarHBondContact O-N 2.61Å; Y637-T640 VanDerWaalsContact O-N 3.17Å; Y637-T640 PolarHBondContact O-OG1 2.03Å; A638-T640 PolarHBondContact O-N 3.28Å; T640-M643 PolarHBondContact O-N 3.08Å; T640-I644 WeakPolarHBondContact O-CG1 3.43Å; T640-I644 PolarHBondContact O-N 2.95Å; T640-T823 HydrophobicContact CG2-CG2 4.05Å
641	F	88.1	Confident	86.8	Confident	66 Å²	66	36.7 Å²	36.7	29%	0.289	21%	0.207	S	C	.	.	H	α-helix	trans	-63.8	-44.9	173.7	-63.3	-101.5	0	0	0	110.9	L592 A595 V596 I599 A638 T639 M643 I644 A645	L592-F641 HydrophobicContact CD1-CD1 3.43Å; L592-F641 VanDerWaalsContact CD1-CD1 3.43Å; L592-F641 HydrophobicContact CD1-CE1 3.4Å; L592-F641 VanDerWaalsContact CD1-CE1 3.4Å; L592-F641 HydrophobicContact CD1-CG 4.08Å; L592-F641 HydrophobicContact CD1-CZ 4.01Å; L592-F641 HydrophobicContact CG-CE1 4.24Å; A595-F641 HydrophobicContact CB-CE2 3.87Å; A595-F641 HydrophobicContact CB-CZ 4.48Å; V596-F641 HydrophobicContact CG2-CE1 4.43Å; V596-F641 HydrophobicContact CG2-CZ 3.84Å; I599-F641 HydrophobicContact CD1-CE2 3.73Å; I599-F641 HydrophobicContact CD1-CZ 4.34Å; A638-F641 PolarHBondContact O-N 2.86Å; T639-F641 VanDerWaalsContact C-N 3.31Å; T639-F641 PolarHBondContact O-N 2.75Å; F641-M643 VanDerWaalsContact C-N 3.3Å; F641-M643 PolarHBondContact O-N 3.4Å; F641-I644 PolarHBondContact O-N 2.95Å; F641-A645 PolarHBondContact O-N 3.28Å
642	L	86.8	Confident	86.7	Confident	42 Å²	42	33.9 Å²	33.9	22%	0.22	18%	0.184	C	C	.	.	H	α-helix	trans	-61.7	-38	176.4	-64.1	174.8	0	0	0	111.9	T639 I644 T651 L654 R655 F658	T639-L642 WeakPolarHBondContact O-CB 3.48Å; T639-L642 PolarHBondContact O-N 2.96Å; L642-I644 VanDerWaalsContact C-N 3.3Å; L642-I644 PolarHBondContact O-N 3.03Å; L642-T651 WeakPolarHBondContact O-CG2 3.38Å; L642-L654 HydrophobicContact CD1-CB 4.14Å; L642-L654 HydrophobicContact CD2-CB 4.32Å; L642-L654 HydrophobicContact CD2-CD1 4.32Å; L642-R655 VanDerWaalsContact O-CZ 3.25Å; L642-R655 PolarHBondContact O-NE 3.43Å; L642-R655 PolarHBondContact O-NH2 2.89Å; L642-F658 HydrophobicContact CD1-CD2 3.6Å; L642-F658 HydrophobicContact CD1-CE2 4.25Å
643	M	81.4	Confident	86.6	Confident	18 Å²	18	35.4 Å²	35.4	9%	0.089	19%	0.194	C	C	.	.	H	α-helix	trans	-70.8	-21.4	178.2	-66	-67.7	-86	0	0	113.6	T639 T640 F641 R655 L659 T819 L822 T823	T639-M643 VanDerWaalsContact O-CG 3.26Å; T639-M643 WeakPolarHBondContact O-CG 3.32Å; T639-M643 PolarHBondContact O-N 3.19Å; T640-M643 PolarHBondContact O-N 3.08Å; F641-M643 VanDerWaalsContact C-N 3.3Å; F641-M643 PolarHBondContact O-N 3.4Å; M643-R655 VanDerWaalsContact C-NH2 3.33Å; M643-R655 PolarHBondContact O-NH2 3.02Å; M643-R655 VanDerWaalsContact O-NH2 3.1Å; M643-R655 HydrophobicContact SD-CB 4.1Å; M643-R655 HydrophobicContact SD-CG 3.72Å; M643-L659 HydrophobicContact CE-CD2 4.2Å; M643-T819 HydrophobicContact CB-CG2 4.35Å; M643-T819 WeakPolarHBondContact O-CG2 3.46Å; M643-L822 HydrophobicContact CE-CB 4.03Å; M643-L822 HydrophobicContact CE-CD1 3.79Å; M643-L822 HydrophobicContact CE-CG 4.39Å; M643-T823 HydrophobicContact CB-CG2 3.66Å; M643-T823 HydrophobicContact CG-CG2 4.14Å
644	I	84.6	Confident	86.5	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-93	-30.9	177.5	-68.3	167.5	0	0	0	112.4	L581 W583 A588 P591 L592 T640 F641 L642 T819	L581-I644 HydrophobicContact CD2-CG2 4.33Å; W583-I644 HydrophobicContact CD2-CG2 4.03Å; W583-I644 HydrophobicContact CE3-CB 4.47Å; W583-I644 HydrophobicContact CE3-CG2 3.54Å; W583-I644 HydrophobicContact CH2-CB 4.43Å; W583-I644 HydrophobicContact CH2-CG2 4.19Å; W583-I644 HydrophobicContact CZ3-CB 4.07Å; W583-I644 HydrophobicContact CZ3-CG2 3.63Å; A588-I644 HydrophobicContact CB-CD1 4.37Å; A588-I644 HydrophobicContact CB-CG2 3.9Å; P591-I644 HydrophobicContact CB-CD1 4.44Å; L592-I644 HydrophobicContact CB-CD1 4.35Å; L592-I644 HydrophobicContact CD1-CD1 4.33Å; T640-I644 WeakPolarHBondContact O-CG1 3.43Å; T640-I644 PolarHBondContact O-N 2.95Å; F641-I644 PolarHBondContact O-N 2.95Å; L642-I644 VanDerWaalsContact C-N 3.3Å; L642-I644 PolarHBondContact O-N 3.03Å; I644-T819 HydrophobicContact CG1-CG2 4.44Å
645	A	86.3	Confident	86.3	Confident	20 Å²	20	34.9 Å²	34.9	17%	0.165	19%	0.194	C	C	.	.	S	Bend	trans	-55.7	165.5	-175.9	0	0	0	0	0	115.2	W583 F641 T651 R655	W583-A645 HydrophobicContact CH2-CB 4.15Å; W583-A645 HydrophobicContact CZ2-CB 3.85Å; F641-A645 PolarHBondContact O-N 3.28Å; A645-T651 HydrophobicContact CB-CG2 3.98Å; A645-R655 PolarHBondContact O-NH2 2.86Å
646	E	84.8	Confident	86.1	Confident	94 Å²	94	33.5 Å²	33.5	44%	0.439	19%	0.186	S	C	.	.			trans	-63.5	127.3	179	-167.3	155.2	-178.8	0	0	110.8	K580 D648 T651	K580-E646 VanDerWaalsContact CD-CD 3.46Å; K580-E646 HydrophobicContact CD-CG 4.12Å; K580-E646 WeakPolarHBondContact CD-OE1 3.27Å; K580-E646 IonicContact NZ-OE1 3.31Å; K580-E646 PolarHBondContact NZ-OE1 3.05Å; K580-E646 IonicContact NZ-OE2 3.87Å; K580-E646 PolarHBondContact NZ-OE2 2.98Å; E646-D648 VanDerWaalsContact C-N 3.29Å; E646-D648 PolarHBondContact O-N 3.36Å; E646-T651 WeakPolarHBondContact O-CB 3.4Å; E646-T651 WeakPolarHBondContact O-CG2 3.41Å; E646-T651 PolarHBondContact O-OG1 2.96Å
647	P	84	Confident	86.1	Confident	10 Å²	10	35.6 Å²	35.6	7%	0.065	20%	0.197	C	C	.	.			trans	-75.4	77.4	-174.8	30.4	-36.7	0	0	0	112.4	S725 L744	P647-S725 VanDerWaalsContact O-CB 3.23Å; P647-S725 WeakPolarHBondContact O-CB 3.45Å; P647-L744 HydrophobicContact CG-CB 4.44Å; P647-L744 HydrophobicContact CG-CD2 3.81Å; P647-L744 HydrophobicContact CG-CG 3.81Å
648	D	85.1	Confident	86.1	Confident	96 Å²	96	37.2 Å²	37.2	51%	0.513	20%	0.204	S	C	.	.			trans	-84.8	165.1	163.8	170.1	59.1	0	0	0	111.7	E646 G650 T651 C652	E646-D648 VanDerWaalsContact C-N 3.29Å; E646-D648 PolarHBondContact O-N 3.36Å; D648-G650 PolarHBondContact O-N 3.17Å; D648-G650 PolarHBondContact OD2-N 3.26Å; D648-T651 PolarHBondContact O-N 2.95Å; D648-T651 VanDerWaalsContact O-N 3.09Å; D648-C652 WeakPolarHBondContact O-CB 3.44Å; D648-C652 PolarHBondContact O-N 2.77Å; D648-C652 PolarHBondContact O-SG 3.1Å
649	L	85.3	Confident	85.8	Confident	99 Å²	99	36.4 Å²	36.4	52%	0.518	20%	0.196	S	C	.	.	H	α-helix	trans	-46.2	-45.6	171.6	-173.7	71.6	0	0	0	112.9	S653 S723	L649-S653 WeakPolarHBondContact O-CB 3.49Å; L649-S653 PolarHBondContact O-N 3.48Å; L649-S653 VanDerWaalsContact O-N 3.11Å; L649-S653 PolarHBondContact O-OG 3.15Å; L649-S723 VanDerWaalsContact CD1-O 3.26Å; L649-S723 WeakPolarHBondContact CD1-O 3.5Å
650	G	86.4	Confident	85.6	Confident	32 Å²	32	36.1 Å²	36.1	33%	0.33	19%	0.194	S	C	.	.	H	α-helix	trans	-65.5	-50.1	176	0	0	0	0	0	112.1	D648 C652 S653 L654	D648-G650 PolarHBondContact O-N 3.17Å; D648-G650 PolarHBondContact OD2-N 3.26Å; G650-C652 PolarHBondContact O-N 2.76Å; G650-S653 WeakPolarHBondContact O-CB 3.38Å; G650-S653 PolarHBondContact O-N 3.31Å; G650-L654 VanDerWaalsContact O-CG 3.28Å; G650-L654 WeakPolarHBondContact O-CG 3.37Å; G650-L654 PolarHBondContact O-N 3.41Å
651	T	87.3	Confident	85.7	Confident	25 Å²	25	37 Å²	37	15%	0.153	20%	0.198	C	C	.	.	H	α-helix	trans	-58.1	-47.3	178.5	-53.9	0	0	0	0	111.7	L642 A645 E646 D648 S653 L654 R655	L642-T651 WeakPolarHBondContact O-CG2 3.38Å; A645-T651 HydrophobicContact CB-CG2 3.98Å; E646-T651 WeakPolarHBondContact O-CB 3.4Å; E646-T651 WeakPolarHBondContact O-CG2 3.41Å; E646-T651 PolarHBondContact O-OG1 2.96Å; D648-T651 PolarHBondContact O-N 2.95Å; D648-T651 VanDerWaalsContact O-N 3.09Å; T651-S653 VanDerWaalsContact C-N 3.34Å; T651-S653 PolarHBondContact O-N 2.78Å; T651-L654 PolarHBondContact O-N 2.89Å; T651-R655 VanDerWaalsContact O-CG 3.31Å; T651-R655 WeakPolarHBondContact O-CG 3.29Å; T651-R655 PolarHBondContact O-N 2.69Å
652	C	86.9	Confident	85.7	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-38.6	179.8	-63.6	0	0	0	0	112.2	D648 G650 R656 C746	D648-C652 WeakPolarHBondContact O-CB 3.44Å; D648-C652 PolarHBondContact O-N 2.77Å; D648-C652 PolarHBondContact O-SG 3.1Å; G650-C652 PolarHBondContact O-N 2.76Å; C652-R656 PolarHBondContact O-N 3.49Å; C652-C746 WeakPolarHBondContact CA-SG 3.46Å; C652-C746 HydrophobicContact CB-CB 3.75Å; C652-C746 WeakPolarHBondContact CB-SG 3.2Å; C652-C746 VanDerWaalsContact SG-CA 3.52Å; C652-C746 WeakPolarHBondContact SG-CB 3.34Å; C652-C746 CovalentContact SG-SG 2.04Å; C652-C746 PolarHBondContact SG-SG 2.74Å
653	S	86.9	Confident	85.6	Confident	31 Å²	31	32.2 Å²	32.2	22%	0.217	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-50.3	172.6	-58.2	0	0	0	0	111.4	L649 G650 T651 R655 R656 I657 S723	L649-S653 WeakPolarHBondContact O-CB 3.49Å; L649-S653 PolarHBondContact O-N 3.48Å; L649-S653 VanDerWaalsContact O-N 3.11Å; L649-S653 PolarHBondContact O-OG 3.15Å; G650-S653 WeakPolarHBondContact O-CB 3.38Å; G650-S653 PolarHBondContact O-N 3.31Å; T651-S653 VanDerWaalsContact C-N 3.34Å; T651-S653 PolarHBondContact O-N 2.78Å; S653-R655 VanDerWaalsContact C-N 3.34Å; S653-R655 PolarHBondContact O-N 3.45Å; S653-R656 PolarHBondContact O-N 2.93Å; S653-I657 WeakPolarHBondContact O-CG1 3.39Å; S653-I657 PolarHBondContact O-N 3.19Å; S653-I657 VanDerWaalsContact O-N 3.11Å; S653-S723 PolarHBondContact OG-OG 3.13Å
654	L	87.7	Confident	86.1	Confident	71 Å²	71	31.3 Å²	31.3	37%	0.372	17%	0.172	S	C	.	.	H	α-helix	trans	-66.1	-33.6	-177.2	-63.3	169.3	0	0	0	112.6	L642 G650 T651 F658	L642-L654 HydrophobicContact CD1-CB 4.14Å; L642-L654 HydrophobicContact CD2-CB 4.32Å; L642-L654 HydrophobicContact CD2-CD1 4.32Å; G650-L654 VanDerWaalsContact O-CG 3.28Å; G650-L654 WeakPolarHBondContact O-CG 3.37Å; G650-L654 PolarHBondContact O-N 3.41Å; T651-L654 PolarHBondContact O-N 2.89Å; L654-F658 HydrophobicContact CB-CD2 4.32Å; L654-F658 HydrophobicContact CB-CE2 4.42Å; L654-F658 HydrophobicContact CD2-CE2 3.86Å; L654-F658 WeakPolarHBondContact O-CD2 3.47Å; L654-F658 PolarHBondContact O-N 3.35Å
655	R	85.4	Confident	86.4	Confident	29 Å²	29	32.5 Å²	32.5	11%	0.109	18%	0.178	C	C	.	.	H	α-helix	trans	-57.9	-53.2	170	-73.8	173.4	-176.8	179.6	0.8	111.5	L642 M643 A645 T651 S653 I657 F658 L659	L642-R655 VanDerWaalsContact O-CZ 3.25Å; L642-R655 PolarHBondContact O-NE 3.43Å; L642-R655 PolarHBondContact O-NH2 2.89Å; M643-R655 VanDerWaalsContact C-NH2 3.33Å; M643-R655 PolarHBondContact O-NH2 3.02Å; M643-R655 VanDerWaalsContact O-NH2 3.1Å; M643-R655 HydrophobicContact SD-CB 4.1Å; M643-R655 HydrophobicContact SD-CG 3.72Å; A645-R655 PolarHBondContact O-NH2 2.86Å; T651-R655 VanDerWaalsContact O-CG 3.31Å; T651-R655 WeakPolarHBondContact O-CG 3.29Å; T651-R655 PolarHBondContact O-N 2.69Å; S653-R655 VanDerWaalsContact C-N 3.34Å; S653-R655 PolarHBondContact O-N 3.45Å; R655-I657 VanDerWaalsContact C-N 3.29Å; R655-I657 PolarHBondContact O-N 3.31Å; R655-F658 PolarHBondContact O-N 2.99Å; R655-L659 WeakPolarHBondContact O-CB 3.43Å; R655-L659 PolarHBondContact O-N 3.36Å; R655-L659 VanDerWaalsContact O-N 3.17Å
656	R	84.3	Confident	86.6	Confident	3 Å²	3	32 Å²	32	1%	0.011	17%	0.173	C	C	.	.	H	α-helix	trans	-60.4	-36.4	-176.7	-171.7	173.1	178.4	121.7	-1.5	112.2	C652 S653 W717 F718 D721 L756	C652-R656 PolarHBondContact O-N 3.49Å; S653-R656 PolarHBondContact O-N 2.93Å; R656-W717 PolarHBondContact NH2-O 2.86Å; R656-F718 HydrophobicContact CB-CE2 4.17Å; R656-F718 HydrophobicContact CB-CZ 3.85Å; R656-F718 HydrophobicContact CG-CE2 3.87Å; R656-F718 HydrophobicContact CG-CZ 3.88Å; R656-D721 VanDerWaalsContact CZ-O 3.22Å; R656-D721 IonicContact CZ-OD2 3.53Å; R656-D721 IonicContact NH1-OD2 2.57Å; R656-D721 PolarHBondContact NH1-OD2 3.35Å; R656-D721 VanDerWaalsContact NH2-CG 3.3Å; R656-D721 PolarHBondContact NH2-O 3.26Å; R656-D721 IonicContact NH2-OD2 2.71Å; R656-D721 PolarHBondContact NH2-OD2 3.22Å; R656-L756 HydrophobicContact CG-CD1 4.27Å
657	I	86.9	Confident	86.8	Confident	48 Å²	48	28 Å²	28	25%	0.246	15%	0.154	C	C	.	.	H	α-helix	trans	-71	-63	174.7	-62.1	166.7	0	0	0	111.4	S653 R655 L659 L661 I714 F718	S653-I657 WeakPolarHBondContact O-CG1 3.39Å; S653-I657 PolarHBondContact O-N 3.19Å; S653-I657 VanDerWaalsContact O-N 3.11Å; R655-I657 VanDerWaalsContact C-N 3.29Å; R655-I657 PolarHBondContact O-N 3.31Å; I657-L659 PolarHBondContact O-N 3.45Å; I657-L661 HydrophobicContact CG2-CD2 4.34Å; I657-L661 WeakPolarHBondContact O-CB 3.35Å; I657-L661 PolarHBondContact O-N 2.91Å; I657-I714 HydrophobicContact CG1-CG2 4.23Å; I657-I714 WeakPolarHBondContact O-CD1 3.27Å; I657-F718 HydrophobicContact CD1-CE2 4.28Å; I657-F718 HydrophobicContact CD1-CZ 4.25Å; I657-F718 HydrophobicContact CG1-CE2 3.52Å; I657-F718 HydrophobicContact CG1-CZ 3.79Å
658	F	87.6	Confident	87.2	Confident	61 Å²	61	27.5 Å²	27.5	27%	0.268	15%	0.151	S	C	.	.	H	α-helix	trans	-79.3	-23.2	-161	-67.1	-54.5	0	0	0	114.3	L635 T639 L642 L654 R655 G660 L661 G662	L635-F658 HydrophobicContact CD1-CB 4.38Å; L635-F658 HydrophobicContact CD1-CD1 3.82Å; L635-F658 HydrophobicContact CD1-CE1 4.22Å; L635-F658 HydrophobicContact CD1-CG 4.12Å; L635-F658 HydrophobicContact CD2-CD1 4.01Å; L635-F658 HydrophobicContact CG-CD1 4.37Å; T639-F658 HydrophobicContact CG2-CB 3.38Å; L642-F658 HydrophobicContact CD1-CD2 3.6Å; L642-F658 HydrophobicContact CD1-CE2 4.25Å; L654-F658 HydrophobicContact CB-CD2 4.32Å; L654-F658 HydrophobicContact CB-CE2 4.42Å; L654-F658 HydrophobicContact CD2-CE2 3.86Å; L654-F658 WeakPolarHBondContact O-CD2 3.47Å; L654-F658 PolarHBondContact O-N 3.35Å; R655-F658 PolarHBondContact O-N 2.99Å; F658-G660 PolarHBondContact O-N 3.04Å; F658-L661 HydrophobicContact CD1-CD2 4.26Å; F658-L661 PolarHBondContact O-N 3.42Å; F658-G662 PolarHBondContact O-N 3.3Å; F658-G662 VanDerWaalsContact O-N 3.09Å
659	L	82.3	Confident	87.4	Confident	12 Å²	12	23 Å²	23	6%	0.063	13%	0.127	C	C	.	.	H	α-helix	trans	-57.7	-47.7	-179.6	177.4	58.4	0	0	0	112.7	M643 R655 I657 L753 L757 N826	M643-L659 HydrophobicContact CE-CD2 4.2Å; R655-L659 WeakPolarHBondContact O-CB 3.43Å; R655-L659 PolarHBondContact O-N 3.36Å; R655-L659 VanDerWaalsContact O-N 3.17Å; I657-L659 PolarHBondContact O-N 3.45Å; L659-L753 HydrophobicContact CD2-CD1 3.59Å; L659-L757 HydrophobicContact CG-CD2 4.33Å; L659-N826 WeakPolarHBondContact CD1-ND2 3.47Å
660	G	83.6	Confident	87.5	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-79.9	-35.1	174.6	0	0	0	0	0	113.2	F658 S664 S760	F658-G660 PolarHBondContact O-N 3.04Å; G660-S664 WeakPolarHBondContact O-CB 3.42Å; G660-S664 PolarHBondContact O-N 3.39Å; G660-S760 PolarHBondContact O-OG 2.97Å
661	L	88.5	Confident	87.7	Confident	17 Å²	17	18.1 Å²	18.1	9%	0.089	9%	0.094	C	C	.	.	H	α-helix	trans	-67.9	-44.1	-171.9	-175.3	59	0	0	0	113.5	I657 F658 M663 S664 I665 I707 L711 I714	I657-L661 HydrophobicContact CG2-CD2 4.34Å; I657-L661 WeakPolarHBondContact O-CB 3.35Å; I657-L661 PolarHBondContact O-N 2.91Å; F658-L661 HydrophobicContact CD1-CD2 4.26Å; F658-L661 PolarHBondContact O-N 3.42Å; L661-M663 PolarHBondContact O-N 3.47Å; L661-S664 PolarHBondContact O-N 3.44Å; L661-I665 HydrophobicContact CD1-CD1 4.06Å; L661-I665 HydrophobicContact CD1-CG1 4.18Å; L661-I665 HydrophobicContact CG-CD1 3.86Å; L661-I665 HydrophobicContact CG-CG1 4.43Å; L661-I665 VanDerWaalsContact O-CG1 3.29Å; L661-I665 WeakPolarHBondContact O-CG1 3.31Å; L661-I665 PolarHBondContact O-N 2.88Å; L661-I707 HydrophobicContact CD1-CG2 3.91Å; L661-L711 HydrophobicContact CD1-CD2 3.61Å; L661-L711 HydrophobicContact CD1-CG 3.86Å; L661-L711 HydrophobicContact CD2-CD2 3.76Å; L661-L711 HydrophobicContact CG-CD2 4.31Å; L661-I714 HydrophobicContact CB-CD1 4.38Å
662	G	87.3	Confident	87.8	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62	-41.1	-179.3	0	0	0	0	0	113.2	F658 S666	F658-G662 PolarHBondContact O-N 3.3Å; F658-G662 VanDerWaalsContact O-N 3.09Å; G662-S666 WeakPolarHBondContact O-CB 3.42Å; G662-S666 PolarHBondContact O-N 3.45Å; G662-S666 VanDerWaalsContact O-N 3.1Å; G662-S666 PolarHBondContact O-OG 2.76Å
663	M	86	Confident	87.7	Confident	8 Å²	8	17.6 Å²	17.6	4%	0.039	9%	0.09	C	C	.	.	H	α-helix	trans	-70.1	-40.2	176.2	-65	-59	-94.9	0	0	111.3	C636 L661 I665 S666 Y667 W798	C636-M663 HydrophobicContact CB-SD 4.44Å; C636-M663 PolarHBondContact SG-SD 3.01Å; L661-M663 PolarHBondContact O-N 3.47Å; M663-I665 PolarHBondContact O-N 3.25Å; M663-S666 PolarHBondContact O-N 2.87Å; M663-Y667 HydrophobicContact CB-CD2 4.38Å; M663-Y667 HydrophobicContact CB-CE2 4.26Å; M663-Y667 HydrophobicContact CE-CE2 3.99Å; M663-Y667 WeakPolarHBondContact O-CD2 3.18Å; M663-Y667 PolarHBondContact O-N 2.72Å; M663-W798 HydrophobicContact CE-CZ2 3.51Å; M663-W798 HydrophobicContact CG-CZ2 4.48Å
664	S	90.6	Very high	87.7	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.9	-43.9	174.6	-171.5	0	0	0	0	112.6	G660 L661 A668 Q710 S760	G660-S664 WeakPolarHBondContact O-CB 3.42Å; G660-S664 PolarHBondContact O-N 3.39Å; L661-S664 PolarHBondContact O-N 3.44Å; S664-A668 WeakPolarHBondContact O-CB 3.3Å; S664-A668 PolarHBondContact O-N 2.96Å; S664-Q710 WeakPolarHBondContact OG-CB 3.44Å; S664-S760 PolarHBondContact N-OG 3.4Å
665	I	91.1	Very high	87.6	Confident	27 Å²	27	14 Å²	14	14%	0.138	7%	0.068	C	C	.	.	H	α-helix	trans	-60.6	-47.1	175.6	-67.6	164.7	0	0	0	110.4	V628 L635 L661 M663 A669 I707	V628-I665 HydrophobicContact CG1-CG2 3.79Å; V628-I665 WeakPolarHBondContact O-CG2 3.38Å; L635-I665 HydrophobicContact CD2-CD1 4.13Å; L661-I665 HydrophobicContact CD1-CD1 4.06Å; L661-I665 HydrophobicContact CD1-CG1 4.18Å; L661-I665 HydrophobicContact CG-CD1 3.86Å; L661-I665 HydrophobicContact CG-CG1 4.43Å; L661-I665 VanDerWaalsContact O-CG1 3.29Å; L661-I665 WeakPolarHBondContact O-CG1 3.31Å; L661-I665 PolarHBondContact O-N 2.88Å; M663-I665 PolarHBondContact O-N 3.25Å; I665-A669 WeakPolarHBondContact O-CB 3.41Å; I665-A669 PolarHBondContact O-N 2.99Å; I665-A669 VanDerWaalsContact O-N 3.14Å; I665-I707 HydrophobicContact CB-CD1 4.31Å; I665-I707 HydrophobicContact CG1-CD1 3.9Å; I665-I707 HydrophobicContact CG1-CG1 4Å; I665-I707 HydrophobicContact CG1-CG2 4Å; I665-I707 HydrophobicContact CG2-CD1 4.31Å
666	S	90.2	Very high	87.5	Confident	9 Å²	9	15.3 Å²	15.3	6%	0.063	7%	0.073	C	C	.	.	H	α-helix	trans	-61.6	-46.9	-179	-59.4	0	0	0	0	112.3	L629 G632 I633 G662 M663 L670	L629-S666 WeakPolarHBondContact CD1-O 3.29Å; G632-S666 VanDerWaalsContact C-OG 3.22Å; G632-S666 WeakPolarHBondContact CA-OG 3.44Å; I633-S666 PolarHBondContact N-OG 2.86Å; G662-S666 WeakPolarHBondContact O-CB 3.42Å; G662-S666 PolarHBondContact O-N 3.45Å; G662-S666 VanDerWaalsContact O-N 3.1Å; G662-S666 PolarHBondContact O-OG 2.76Å; M663-S666 PolarHBondContact O-N 2.87Å; S666-L670 WeakPolarHBondContact O-CG 3.43Å; S666-L670 PolarHBondContact O-N 3.49Å
667	Y	90.4	Very high	87.4	Confident	9 Å²	9	16.3 Å²	16.3	4%	0.035	8%	0.078	C	C	.	.	H	α-helix	trans	-75.9	-34.9	179.4	-66.3	-56.4	0	0	0	113.2	M663 A669 L670 L671 M764 C767 M791 W798	M663-Y667 HydrophobicContact CB-CD2 4.38Å; M663-Y667 HydrophobicContact CB-CE2 4.26Å; M663-Y667 HydrophobicContact CE-CE2 3.99Å; M663-Y667 WeakPolarHBondContact O-CD2 3.18Å; M663-Y667 PolarHBondContact O-N 2.72Å; Y667-A669 VanDerWaalsContact C-N 3.33Å; Y667-A669 PolarHBondContact O-N 3.28Å; Y667-L670 HydrophobicContact CD1-CD1 4.34Å; Y667-L670 PolarHBondContact O-N 3.19Å; Y667-L671 VanDerWaalsContact O-CB 3.32Å; Y667-L671 WeakPolarHBondContact O-CB 3.26Å; Y667-L671 PolarHBondContact O-N 3.43Å; Y667-M764 HydrophobicContact CD1-CB 4.14Å; Y667-M764 HydrophobicContact CD1-CG 4.4Å; Y667-M764 HydrophobicContact CD2-CB 4.1Å; Y667-M764 HydrophobicContact CE1-CB 3.93Å; Y667-M764 HydrophobicContact CE1-CG 3.76Å; Y667-M764 HydrophobicContact CE2-CB 3.89Å; Y667-M764 HydrophobicContact CE2-CG 4.22Å; Y667-M764 HydrophobicContact CG-CB 4.24Å; Y667-C767 PolarHBondContact O-SG 2.64Å; Y667-C767 VanDerWaalsContact O-SG 3.37Å; Y667-M791 HydrophobicContact CD1-CE 4.22Å; Y667-M791 HydrophobicContact CE1-CE 4.07Å; Y667-W798 AromaticContact CZ-NE1 3.93Å; Y667-W798 PolarHBondContact OH-NE1 3.33Å
668	A	91.3	Very high	87.2	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.5	-38.9	175.5	0	0	0	0	0	112.4	S664 T672 T703 L706 I707 L763	S664-A668 WeakPolarHBondContact O-CB 3.3Å; S664-A668 PolarHBondContact O-N 2.96Å; A668-T672 WeakPolarHBondContact O-CB 3.32Å; A668-T672 PolarHBondContact O-N 3.15Å; A668-T672 PolarHBondContact O-OG1 3.01Å; A668-T703 HydrophobicContact CB-CG2 4.16Å; A668-L706 HydrophobicContact CB-CB 3.87Å; A668-L706 HydrophobicContact CB-CD1 4.23Å; A668-I707 HydrophobicContact CB-CD1 4.49Å; A668-I707 HydrophobicContact CB-CG1 3.96Å; A668-L763 HydrophobicContact CB-CD1 4.49Å
669	A	89.6	Confident	86.8	Confident	1 Å²	1	18.3 Å²	18.3	1%	0.008	8%	0.082	C	C	.	.	H	α-helix	trans	-66.9	-43.9	174.4	0	0	0	0	0	112	V628 L629 I665 Y667 T672 K673 T703	V628-A669 HydrophobicContact CB-CB 4.49Å; V628-A669 HydrophobicContact CG1-CB 4.19Å; L629-A669 HydrophobicContact CB-CB 3.95Å; I665-A669 WeakPolarHBondContact O-CB 3.41Å; I665-A669 PolarHBondContact O-N 2.99Å; I665-A669 VanDerWaalsContact O-N 3.14Å; Y667-A669 VanDerWaalsContact C-N 3.33Å; Y667-A669 PolarHBondContact O-N 3.28Å; A669-T672 PolarHBondContact O-N 2.98Å; A669-K673 WeakPolarHBondContact O-CB 3.48Å; A669-K673 PolarHBondContact O-N 2.77Å; A669-T703 HydrophobicContact CB-CG2 4.33Å
670	L	88.4	Confident	86.7	Confident	12 Å²	12	20.4 Å²	20.4	6%	0.063	9%	0.092	C	C	.	.	H	α-helix	trans	-64.3	-40.4	175.4	-74.4	167.9	0	0	0	112.5	L629 S666 Y667 K673 T674 I787 M791	L629-L670 HydrophobicContact CD1-CD1 4.15Å; L629-L670 HydrophobicContact CD1-CD2 4.42Å; L629-L670 HydrophobicContact CD1-CG 3.9Å; L629-L670 HydrophobicContact CD2-CD2 3.79Å; L629-L670 HydrophobicContact CD2-CG 4.15Å; S666-L670 WeakPolarHBondContact O-CG 3.43Å; S666-L670 PolarHBondContact O-N 3.49Å; Y667-L670 HydrophobicContact CD1-CD1 4.34Å; Y667-L670 PolarHBondContact O-N 3.19Å; L670-K673 PolarHBondContact O-N 3.26Å; L670-T674 PolarHBondContact O-N 3.19Å; L670-T674 PolarHBondContact O-OG1 2.93Å; L670-I787 HydrophobicContact CD2-CG2 4.5Å; L670-M791 HydrophobicContact CD1-SD 4.31Å
671	L	89.8	Confident	86.3	Confident	18 Å²	18	23 Å²	23	9%	0.094	10%	0.104	C	C	.	.	H	α-helix	trans	-61.6	-47.1	176.3	-173.7	55.3	0	0	0	110.6	Y667 K673 T674 N675 L706 L763 C767 Y770	Y667-L671 VanDerWaalsContact O-CB 3.32Å; Y667-L671 WeakPolarHBondContact O-CB 3.26Å; Y667-L671 PolarHBondContact O-N 3.43Å; L671-K673 VanDerWaalsContact C-N 3.34Å; L671-K673 PolarHBondContact O-N 3.19Å; L671-T674 WeakPolarHBondContact CA-OG1 3.41Å; L671-T674 PolarHBondContact O-N 3.2Å; L671-T674 PolarHBondContact O-OG1 2.77Å; L671-N675 WeakPolarHBondContact O-CB 3.36Å; L671-N675 PolarHBondContact O-N 2.87Å; L671-L706 HydrophobicContact CD2-CD1 4.02Å; L671-L763 HydrophobicContact CD2-CD2 3.92Å; L671-C767 VanDerWaalsContact CB-SG 3.53Å; L671-C767 PolarHBondContact N-SG 3.34Å; L671-Y770 HydrophobicContact CD1-CD2 3.61Å; L671-Y770 HydrophobicContact CD1-CE2 4.14Å; L671-Y770 HydrophobicContact CD1-CG 4.46Å
672	T	89.1	Confident	85.6	Confident	4 Å²	4	24.3 Å²	24.3	3%	0.025	11%	0.109	C	C	.	.	H	α-helix	trans	-65.4	-38.5	178.1	-56.1	0	0	0	0	111.6	L625 A668 A669 R676 Q699 I702 T703	L625-T672 HydrophobicContact CD1-CG2 4Å; L625-T672 HydrophobicContact CD2-CG2 4.05Å; A668-T672 WeakPolarHBondContact O-CB 3.32Å; A668-T672 PolarHBondContact O-N 3.15Å; A668-T672 PolarHBondContact O-OG1 3.01Å; A669-T672 PolarHBondContact O-N 2.98Å; T672-R676 WeakPolarHBondContact O-CB 3.19Å; T672-R676 PolarHBondContact O-N 3.24Å; T672-Q699 HydrophobicContact CG2-CB 3.92Å; T672-Q699 HydrophobicContact CG2-CG 4.2Å; T672-I702 HydrophobicContact CG2-CG2 4.39Å; T672-T703 WeakPolarHBondContact CB-OG1 3.31Å; T672-T703 PolarHBondContact OG1-OG1 2.86Å; T672-T703 VanDerWaalsContact OG1-OG1 3.11Å
673	K	85.8	Confident	84.8	Confident	10 Å²	10	27.7 Å²	27.7	4%	0.043	13%	0.125	C	C	.	.	H	α-helix	trans	-67.1	-41.3	177.6	-153.7	171.9	-161.6	-174.2	0	112.7	S621 L625 S626 A669 L670 L671 I677 E783	S621-K673 WeakPolarHBondContact O-CE 3.49Å; S621-K673 PolarHBondContact O-NZ 3.44Å; S621-K673 PolarHBondContact OG-NZ 3.22Å; L625-K673 HydrophobicContact CD1-CB 4.37Å; S626-K673 PolarHBondContact OG-NZ 2.95Å; A669-K673 WeakPolarHBondContact O-CB 3.48Å; A669-K673 PolarHBondContact O-N 2.77Å; L670-K673 PolarHBondContact O-N 3.26Å; L671-K673 VanDerWaalsContact C-N 3.34Å; L671-K673 PolarHBondContact O-N 3.19Å; K673-I677 WeakPolarHBondContact O-CG1 3.28Å; K673-I677 PolarHBondContact O-N 3.01Å; K673-E783 WeakPolarHBondContact CE-OE1 3.17Å; K673-E783 IonicContact NZ-OE1 3.55Å; K673-E783 PolarHBondContact NZ-OE1 3.45Å; K673-E783 IonicContact NZ-OE2 2.69Å
674	T	85.6	Confident	83.8	Confident	2 Å²	2	30 Å²	30	1%	0.012	15%	0.15	C	C	.	.	H	α-helix	trans	-71.3	-40.8	175.1	46.8	0	0	0	0	112.9	L670 L671 R676 I677 Y678 I787	L670-T674 PolarHBondContact O-N 3.19Å; L670-T674 PolarHBondContact O-OG1 2.93Å; L671-T674 WeakPolarHBondContact CA-OG1 3.41Å; L671-T674 PolarHBondContact O-N 3.2Å; L671-T674 PolarHBondContact O-OG1 2.77Å; T674-R676 VanDerWaalsContact C-N 3.34Å; T674-R676 PolarHBondContact O-N 2.89Å; T674-I677 PolarHBondContact O-N 3.26Å; T674-Y678 WeakPolarHBondContact O-CB 3.15Å; T674-Y678 PolarHBondContact O-N 2.86Å; T674-I787 HydrophobicContact CG2-CG2 3.51Å
675	N	85.9	Confident	82.7	Confident	23 Å²	23	37.3 Å²	37.3	12%	0.123	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-39.4	173.8	-175.1	8	0	0	0	111.6	L671 Y678 R679	L671-N675 WeakPolarHBondContact O-CB 3.36Å; L671-N675 PolarHBondContact O-N 2.87Å; N675-Y678 PolarHBondContact O-N 2.72Å; N675-R679 WeakPolarHBondContact O-CB 3.39Å; N675-R679 VanDerWaalsContact O-CG 3.32Å; N675-R679 WeakPolarHBondContact O-CG 3.46Å; N675-R679 PolarHBondContact O-N 2.98Å; N675-R679 PolarHBondContact OD1-NE 3.18Å
676	R	84.1	Confident	81.4	Confident	58 Å²	58	45.3 Å²	45.3	22%	0.219	21%	0.211	C	C	.	.	H	α-helix	trans	-55.9	-52	170.3	175.8	-170.2	171.3	-149.8	-6.4	111.3	A620 S621 T672 T674 R679 I680	A620-R676 PolarHBondContact O-NH1 2.98Å; A620-R676 VanDerWaalsContact O-NH1 3.08Å; A620-R676 PolarHBondContact O-NH2 3.04Å; S621-R676 PolarHBondContact O-NH1 2.96Å; T672-R676 WeakPolarHBondContact O-CB 3.19Å; T672-R676 PolarHBondContact O-N 3.24Å; T674-R676 VanDerWaalsContact C-N 3.34Å; T674-R676 PolarHBondContact O-N 2.89Å; R676-R679 PolarHBondContact O-N 3.48Å; R676-I680 HydrophobicContact CG-CD1 3.91Å; R676-I680 VanDerWaalsContact O-CG1 3.31Å; R676-I680 WeakPolarHBondContact O-CG1 3.32Å; R676-I680 PolarHBondContact O-N 2.99Å; R676-I680 VanDerWaalsContact O-N 3.12Å
677	I	81.8	Confident	80.2	Confident	23 Å²	23	47.5 Å²	47.5	12%	0.118	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-49	179	-65.4	167.1	0	0	0	110.3	K673 T674 R679 I680 F681 T774 V777 I787	K673-I677 WeakPolarHBondContact O-CG1 3.28Å; K673-I677 PolarHBondContact O-N 3.01Å; T674-I677 PolarHBondContact O-N 3.26Å; I677-R679 PolarHBondContact O-N 3.5Å; I677-I680 PolarHBondContact O-N 3.15Å; I677-F681 HydrophobicContact CG2-CD2 3.93Å; I677-F681 HydrophobicContact CG2-CE2 4.18Å; I677-F681 WeakPolarHBondContact O-CD2 3.5Å; I677-F681 PolarHBondContact O-N 2.98Å; I677-F681 VanDerWaalsContact O-N 3.12Å; I677-T774 HydrophobicContact CB-CG2 4.24Å; I677-T774 HydrophobicContact CG2-CG2 3.84Å; I677-V777 HydrophobicContact CG2-CG2 4.13Å; I677-I787 HydrophobicContact CD1-CD1 4.24Å
678	Y	82.2	Confident	78.8	Confident	58 Å²	58	54.5 Å²	54.5	23%	0.227	27%	0.269	C	S	.	.	H	α-helix	trans	-56.1	-46.8	178.5	176.8	-108.1	0	0	0	112.6	T674 N675 I680 F681 E682 Y770 K773	T674-Y678 WeakPolarHBondContact O-CB 3.15Å; T674-Y678 PolarHBondContact O-N 2.86Å; N675-Y678 PolarHBondContact O-N 2.72Å; Y678-I680 PolarHBondContact O-N 3.31Å; Y678-F681 PolarHBondContact O-N 2.95Å; Y678-E682 HydrophobicContact CD2-CB 4.5Å; Y678-E682 HydrophobicContact CE2-CB 4.18Å; Y678-E682 HydrophobicContact CE2-CG 4.33Å; Y678-E682 VanDerWaalsContact O-CB 3.23Å; Y678-E682 WeakPolarHBondContact O-CB 3.45Å; Y678-E682 PolarHBondContact O-N 3.05Å; Y678-Y770 HydrophobicContact CD1-CD1 4.01Å; Y678-Y770 AromaticContact CD1-CE1 3.8Å; Y678-Y770 HydrophobicContact CD1-CE1 3.8Å; Y678-Y770 HydrophobicContact CE1-CE1 4.11Å; Y678-Y770 HydrophobicContact CG-CD1 4.09Å; Y678-Y770 HydrophobicContact CG-CE1 4.34Å; Y678-K773 HydrophobicContact CD2-CB 3.91Å; Y678-K773 HydrophobicContact CE2-CB 3.89Å; Y678-K773 HydrophobicContact CE2-CD 3.87Å; Y678-K773 HydrophobicContact CE2-CG 4.43Å
679	R	79.6	Confident	77.5	Confident	94 Å²	94	58.4 Å²	58.4	36%	0.355	30%	0.297	S	S	.	.	H	α-helix	trans	-63.7	-40.9	178.8	-73.6	176.5	-176.4	-133.9	-5.5	112.9	N675 R676 I677 Q683	N675-R679 WeakPolarHBondContact O-CB 3.39Å; N675-R679 VanDerWaalsContact O-CG 3.32Å; N675-R679 WeakPolarHBondContact O-CG 3.46Å; N675-R679 PolarHBondContact O-N 2.98Å; N675-R679 PolarHBondContact OD1-NE 3.18Å; R676-R679 PolarHBondContact O-N 3.48Å; I677-R679 PolarHBondContact O-N 3.5Å; R679-Q683 VanDerWaalsContact O-CB 3.25Å; R679-Q683 WeakPolarHBondContact O-CB 3.11Å; R679-Q683 PolarHBondContact O-N 3.3Å; R679-Q683 VanDerWaalsContact O-N 3.11Å
680	I	79.3	Confident	76	Confident	55 Å²	55	62.6 Å²	62.6	28%	0.282	33%	0.331	S	S	.	.	H	α-helix	trans	-60.5	-50.8	177.6	-70.7	165.7	0	0	0	110.3	R676 I677 Y678 G684 I694	R676-I680 HydrophobicContact CG-CD1 3.91Å; R676-I680 VanDerWaalsContact O-CG1 3.31Å; R676-I680 WeakPolarHBondContact O-CG1 3.32Å; R676-I680 PolarHBondContact O-N 2.99Å; R676-I680 VanDerWaalsContact O-N 3.12Å; I677-I680 PolarHBondContact O-N 3.15Å; Y678-I680 PolarHBondContact O-N 3.31Å; I680-G684 PolarHBondContact O-N 3.26Å; I680-I694 HydrophobicContact CD1-CD1 4.35Å; I680-I694 HydrophobicContact CG1-CD1 3.72Å
681	F	75.8	Confident	74.8	Confident	55 Å²	55	63.1 Å²	63.1	24%	0.241	34%	0.335	C	S	.	.	H	α-helix	trans	-76.2	-37	-176.6	-77.9	-79.4	0	0	0	114.1	I677 Y678 K685 V777 P778 F781	I677-F681 HydrophobicContact CG2-CD2 3.93Å; I677-F681 HydrophobicContact CG2-CE2 4.18Å; I677-F681 WeakPolarHBondContact O-CD2 3.5Å; I677-F681 PolarHBondContact O-N 2.98Å; I677-F681 VanDerWaalsContact O-N 3.12Å; Y678-F681 PolarHBondContact O-N 2.95Å; F681-K685 WeakPolarHBondContact O-CG 3.33Å; F681-K685 PolarHBondContact O-N 3.06Å; F681-V777 HydrophobicContact CB-CG2 4.46Å; F681-V777 HydrophobicContact CD1-CG2 4.32Å; F681-V777 HydrophobicContact CD2-CG1 4.22Å; F681-V777 HydrophobicContact CD2-CG2 3.56Å; F681-V777 HydrophobicContact CE1-CG1 4.24Å; F681-V777 HydrophobicContact CE2-CB 4.35Å; F681-V777 HydrophobicContact CE2-CG1 3.58Å; F681-V777 HydrophobicContact CE2-CG2 3.82Å; F681-V777 HydrophobicContact CG-CG2 3.84Å; F681-V777 HydrophobicContact CZ-CG1 3.6Å; F681-V777 HydrophobicContact CZ-CG2 4.31Å; F681-P778 HydrophobicContact CE1-CG 4.06Å; F681-F781 HydrophobicContact CE2-CB 4.35Å; F681-F781 HydrophobicContact CE2-CD2 4.37Å; F681-F781 HydrophobicContact CE2-CG 4.28Å; F681-F781 HydrophobicContact CZ-CB 4.2Å; F681-F781 AromaticContact CZ-CD2 3.71Å; F681-F781 HydrophobicContact CZ-CD2 3.71Å; F681-F781 HydrophobicContact CZ-CE2 4.31Å; F681-F781 HydrophobicContact CZ-CG 4.03Å
682	E	74.9	Confident	73.7	Confident	44 Å²	44	72.5 Å²	72.5	21%	0.206	37%	0.37	C	S	.	.	H	α-helix	trans	-76.4	-33.4	-178.2	-172.7	59.4	-159.5	0	0	112.6	Y678 K685 R686	Y678-E682 HydrophobicContact CD2-CB 4.5Å; Y678-E682 HydrophobicContact CE2-CB 4.18Å; Y678-E682 HydrophobicContact CE2-CG 4.33Å; Y678-E682 VanDerWaalsContact O-CB 3.23Å; Y678-E682 WeakPolarHBondContact O-CB 3.45Å; Y678-E682 PolarHBondContact O-N 3.05Å; E682-K685 IonicContact OE2-NZ 2.67Å; E682-K685 PolarHBondContact OE2-NZ 2.96Å; E682-R686 IonicContact OE1-CZ 2.65Å; E682-R686 IonicContact OE1-NE 3.03Å; E682-R686 IonicContact OE1-NH2 3.36Å; E682-R686 PolarHBondContact OE1-NH2 2.84Å; E682-R686 VanDerWaalsContact OE1-NH2 3.1Å
683	Q	69.2	Low	72.6	Confident	72 Å²	72	78.4 Å²	78.4	34%	0.336	40%	0.395	S	S	.	.	H	α-helix	trans	-78.2	-32.8	172.3	-174.5	167.9	-31.3	0	0	111.9	R679 K685 R686 S687 S689 P691	R679-Q683 VanDerWaalsContact O-CB 3.25Å; R679-Q683 WeakPolarHBondContact O-CB 3.11Å; R679-Q683 PolarHBondContact O-N 3.3Å; R679-Q683 VanDerWaalsContact O-N 3.11Å; Q683-K685 PolarHBondContact O-N 3.42Å; Q683-R686 WeakPolarHBondContact O-CA 3.47Å; Q683-R686 PolarHBondContact O-N 2.91Å; Q683-S687 PolarHBondContact O-N 3.36Å; Q683-S689 PolarHBondContact NE2-O 2.95Å; Q683-P691 HydrophobicContact CB-CG 3.88Å; Q683-P691 HydrophobicContact CG-CG 4.06Å
684	G	65.1	Low	71.9	Confident	55 Å²	55	80.8 Å²	80.8	57%	0.567	41%	0.408	S	S	*	.	H	α-helix	trans	-61	-22.2	174.1	0	0	0	0	0	114.5	I680 R686	I680-G684 PolarHBondContact O-N 3.26Å; G684-R686 VanDerWaalsContact C-N 3.29Å
685	K	67.4	Low	71.6	Confident	154 Å²	154	83.9 Å²	83.9	67%	0.67	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-15.8	169	-66.5	169.1	-169.6	171.5	0	114.2	F681 E682 Q683	F681-K685 WeakPolarHBondContact O-CG 3.33Å; F681-K685 PolarHBondContact O-N 3.06Å; E682-K685 IonicContact OE2-NZ 2.67Å; E682-K685 PolarHBondContact OE2-NZ 2.96Å; Q683-K685 PolarHBondContact O-N 3.42Å
686	R	64.4	Low	71.2	Confident	195 Å²	195	86.5 Å²	86.5	74%	0.736	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	-24.1	-168.8	-58.9	-173.9	-168.6	-151	1.3	113.9	E682 Q683 G684	E682-R686 IonicContact OE1-CZ 2.65Å; E682-R686 IonicContact OE1-NE 3.03Å; E682-R686 IonicContact OE1-NH2 3.36Å; E682-R686 PolarHBondContact OE1-NH2 2.84Å; E682-R686 VanDerWaalsContact OE1-NH2 3.1Å; Q683-R686 WeakPolarHBondContact O-CA 3.47Å; Q683-R686 PolarHBondContact O-N 2.91Å; G684-R686 VanDerWaalsContact C-N 3.29Å
687	S	65.5	Low	71.1	Confident	55 Å²	55	87 Å²	87	39%	0.385	47%	0.465	S	S	.	.			trans	-162.1	150.5	178.7	-171.2	0	0	0	0	111.6	Q683 S689	Q683-S687 PolarHBondContact O-N 3.36Å; S687-S689 VanDerWaalsContact C-N 3.26Å; S687-S689 PolarHBondContact OG-N 3.12Å
688	V	60.9	Low	71.2	Confident	156 Å²	156	87.2 Å²	87.2	95%	0.945	47%	0.468	S	S	*	.	S	Bend	trans	-76.7	-14.7	172.1	-167.5	0	0	0	0	111.5
689	S	62.7	Low	71.3	Confident	82 Å²	82	84.9 Å²	84.9	57%	0.573	46%	0.459	S	S	*	.	S	Bend	trans	-71.9	132.3	-178.7	-65.4	0	0	0	0	113.2	Q683 S687	Q683-S689 PolarHBondContact NE2-O 2.95Å; S687-S689 VanDerWaalsContact C-N 3.26Å; S687-S689 PolarHBondContact OG-N 3.12Å
690	A	58.4	Low	71.7	Confident	89 Å²	89	82.5 Å²	82.5	74%	0.736	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-57.2	130.7	-177.2	0	0	0	0	0	113.4
691	P	63.6	Low	72.2	Confident	23 Å²	23	82.8 Å²	82.8	15%	0.149	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-60.3	139.7	177.3	-25	30.8	0	0	0	115	Q683 I694	Q683-P691 HydrophobicContact CB-CG 3.88Å; Q683-P691 HydrophobicContact CG-CG 4.06Å; P691-I694 HydrophobicContact CB-CD1 3.65Å; P691-I694 HydrophobicContact CB-CG1 4.12Å; P691-I694 HydrophobicContact CG-CD1 3.68Å
692	R	65.9	Low	72.8	Confident	216 Å²	216	82.6 Å²	82.6	82%	0.815	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	146.2	168.6	-67.4	-177.3	176.5	178.2	-1.3	110.1
693	F	66.5	Low	73.6	Confident	128 Å²	128	80.5 Å²	80.5	56%	0.561	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	29.2	-178.1	-45.2	-80.7	0	0	0	116.3	S698	F693-S698 WeakPolarHBondContact CA-OG 3.41Å; F693-S698 PolarHBondContact O-OG 2.61Å
694	I	72.1	Confident	74.6	Confident	60 Å²	60	82.3 Å²	82.3	31%	0.308	46%	0.462	S	S	.	.			trans	-85.4	-15.4	170.1	-77	-179.6	0	0	0	113.7	I680 P691 Q699	I680-I694 HydrophobicContact CD1-CD1 4.35Å; I680-I694 HydrophobicContact CG1-CD1 3.72Å; P691-I694 HydrophobicContact CB-CD1 3.65Å; P691-I694 HydrophobicContact CB-CG1 4.12Å; P691-I694 HydrophobicContact CG-CD1 3.68Å; I694-Q699 PolarHBondContact O-NE2 3.45Å
695	S	78.9	Confident	75.9	Confident	67 Å²	67	83.6 Å²	83.6	47%	0.469	46%	0.462	S	S	.	.	S	Bend	trans	-61.7	136.9	179.5	174.4	0	0	0	0	112	A697 S698 Q699	S695-A697 PolarHBondContact O-N 2.79Å; S695-S698 PolarHBondContact N-OG 3.37Å; S695-S698 PolarHBondContact O-N 3.21Å; S695-S698 PolarHBondContact O-OG 2.79Å; S695-Q699 PolarHBondContact O-N 3.45Å; S695-Q699 VanDerWaalsContact O-N 3.08Å
696	P	77.9	Confident	77	Confident	78 Å²	78	78.1 Å²	78.1	51%	0.506	44%	0.44	S	S	.	.	H	α-helix	trans	-52.9	-39.4	177	-27.8	35.4	0	0	0	113.6	E624 S698 Q699 L700	E624-P696 HydrophobicContact CG-CB 4.41Å; P696-S698 PolarHBondContact O-N 3.03Å; P696-Q699 PolarHBondContact O-N 3.23Å; P696-L700 PolarHBondContact O-N 2.88Å
697	A	81.1	Confident	78.4	Confident	69 Å²	69	69.4 Å²	69.4	57%	0.57	41%	0.408	S	S	*	.	H	α-helix	trans	-61.3	-42.1	176.3	0	0	0	0	0	112.1	S695 Q699 L700 A701	S695-A697 PolarHBondContact O-N 2.79Å; A697-Q699 VanDerWaalsContact C-N 3.32Å; A697-Q699 PolarHBondContact O-N 2.81Å; A697-L700 PolarHBondContact O-N 3.18Å; A697-A701 WeakPolarHBondContact O-CB 3.44Å; A697-A701 PolarHBondContact O-N 2.94Å
698	S	83.6	Confident	79.6	Confident	26 Å²	26	70 Å²	70	18%	0.182	41%	0.412	C	S	.	.	H	α-helix	trans	-69	-29	176.2	61.4	0	0	0	0	113.3	F693 S695 P696 I702	F693-S698 WeakPolarHBondContact CA-OG 3.41Å; F693-S698 PolarHBondContact O-OG 2.61Å; S695-S698 PolarHBondContact N-OG 3.37Å; S695-S698 PolarHBondContact O-N 3.21Å; S695-S698 PolarHBondContact O-OG 2.79Å; P696-S698 PolarHBondContact O-N 3.03Å; S698-I702 WeakPolarHBondContact O-CD1 3.44Å; S698-I702 VanDerWaalsContact O-CG1 3.28Å; S698-I702 WeakPolarHBondContact O-CG1 3.26Å; S698-I702 PolarHBondContact O-N 3.19Å; S698-I702 VanDerWaalsContact O-N 3.13Å
699	Q	85.1	Confident	81	Confident	10 Å²	10	67.2 Å²	67.2	5%	0.047	39%	0.391	C	S	.	.	H	α-helix	trans	-74.9	-39.7	175.4	-71.5	168.2	14.8	0	0	112	L625 T672 I694 S695 P696 A697 I702 T703	L625-Q699 HydrophobicContact CD1-CB 4.18Å; L625-Q699 HydrophobicContact CD2-CB 4.24Å; L625-Q699 HydrophobicContact CG-CB 4.4Å; T672-Q699 HydrophobicContact CG2-CB 3.92Å; T672-Q699 HydrophobicContact CG2-CG 4.2Å; I694-Q699 PolarHBondContact O-NE2 3.45Å; S695-Q699 PolarHBondContact O-N 3.45Å; S695-Q699 VanDerWaalsContact O-N 3.08Å; P696-Q699 PolarHBondContact O-N 3.23Å; A697-Q699 VanDerWaalsContact C-N 3.32Å; A697-Q699 PolarHBondContact O-N 2.81Å; Q699-I702 PolarHBondContact O-N 3.09Å; Q699-T703 WeakPolarHBondContact O-CB 3.4Å; Q699-T703 PolarHBondContact O-N 2.83Å; Q699-T703 PolarHBondContact O-OG1 2.7Å
700	L	88	Confident	82.3	Confident	43 Å²	43	63.8 Å²	63.8	23%	0.225	37%	0.366	C	S	.	.	H	α-helix	trans	-61.5	-45.9	170.2	-74.4	175.9	0	0	0	111.1	E624 V628 P696 A697 I702 T703 F704	E624-L700 HydrophobicContact CB-CD1 3.95Å; E624-L700 HydrophobicContact CB-CD2 3.91Å; E624-L700 HydrophobicContact CB-CG 4.07Å; E624-L700 HydrophobicContact CG-CD1 4.3Å; V628-L700 HydrophobicContact CG2-CD2 3.99Å; P696-L700 PolarHBondContact O-N 2.88Å; A697-L700 PolarHBondContact O-N 3.18Å; L700-I702 PolarHBondContact O-N 2.94Å; L700-T703 PolarHBondContact O-N 2.97Å; L700-T703 VanDerWaalsContact O-N 3.09Å; L700-F704 HydrophobicContact CB-CD2 4.19Å; L700-F704 HydrophobicContact CB-CE2 4.09Å; L700-F704 HydrophobicContact CD2-CE2 4.1Å; L700-F704 WeakPolarHBondContact O-CD2 3.34Å; L700-F704 PolarHBondContact O-N 3.29Å
701	A	89.5	Confident	83.8	Confident	61 Å²	61	62.6 Å²	62.6	50%	0.504	35%	0.347	S	S	.	.	H	α-helix	trans	-57.9	-43.4	177.6	0	0	0	0	0	112.9	A697 S705	A697-A701 WeakPolarHBondContact O-CB 3.44Å; A697-A701 PolarHBondContact O-N 2.94Å; A701-S705 VanDerWaalsContact O-CB 3.27Å; A701-S705 WeakPolarHBondContact O-CB 3.36Å; A701-S705 PolarHBondContact O-N 2.84Å
702	I	88.6	Confident	85.1	Confident	51 Å²	51	66.7 Å²	66.7	26%	0.262	37%	0.367	S	S	.	.	H	α-helix	trans	-62.9	-43.7	173.8	-68.9	163.9	0	0	0	111.1	T672 S698 Q699 L700 S705 L706	T672-I702 HydrophobicContact CG2-CG2 4.39Å; S698-I702 WeakPolarHBondContact O-CD1 3.44Å; S698-I702 VanDerWaalsContact O-CG1 3.28Å; S698-I702 WeakPolarHBondContact O-CG1 3.26Å; S698-I702 PolarHBondContact O-N 3.19Å; S698-I702 VanDerWaalsContact O-N 3.13Å; Q699-I702 PolarHBondContact O-N 3.09Å; L700-I702 PolarHBondContact O-N 2.94Å; I702-S705 PolarHBondContact O-N 2.87Å; I702-L706 HydrophobicContact CG2-CD1 4.42Å; I702-L706 WeakPolarHBondContact O-CG 3.32Å; I702-L706 PolarHBondContact O-N 2.93Å
703	T	90.1	Very high	86.1	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.006	35%	0.347	C	S	.	.	H	α-helix	trans	-65	-46.9	-179.2	-55	0	0	0	0	111.4	L625 V628 A668 A669 T672 Q699 L700 L706 I707	L625-T703 VanDerWaalsContact CD2-OG1 3.25Å; L625-T703 WeakPolarHBondContact CD2-OG1 3.42Å; V628-T703 HydrophobicContact CG1-CG2 4.04Å; A668-T703 HydrophobicContact CB-CG2 4.16Å; A669-T703 HydrophobicContact CB-CG2 4.33Å; T672-T703 WeakPolarHBondContact CB-OG1 3.31Å; T672-T703 PolarHBondContact OG1-OG1 2.86Å; T672-T703 VanDerWaalsContact OG1-OG1 3.11Å; Q699-T703 WeakPolarHBondContact O-CB 3.4Å; Q699-T703 PolarHBondContact O-N 2.83Å; Q699-T703 PolarHBondContact O-OG1 2.7Å; L700-T703 PolarHBondContact O-N 2.97Å; L700-T703 VanDerWaalsContact O-N 3.09Å; T703-L706 PolarHBondContact O-N 2.78Å; T703-I707 HydrophobicContact CG2-CD1 3.93Å; T703-I707 WeakPolarHBondContact O-CD1 3.27Å; T703-I707 WeakPolarHBondContact O-CG1 3.39Å; T703-I707 PolarHBondContact O-N 2.92Å; T703-I707 VanDerWaalsContact O-N 3.11Å
704	F	91.1	Very high	87.1	Confident	109 Å²	109	52.5 Å²	52.5	48%	0.478	32%	0.322	S	S	.	.	H	α-helix	trans	-66	-37.4	176.6	-72.4	-58.5	0	0	0	112.2	L700 L706 I707 S708	L700-F704 HydrophobicContact CB-CD2 4.19Å; L700-F704 HydrophobicContact CB-CE2 4.09Å; L700-F704 HydrophobicContact CD2-CE2 4.1Å; L700-F704 WeakPolarHBondContact O-CD2 3.34Å; L700-F704 PolarHBondContact O-N 3.29Å; F704-L706 VanDerWaalsContact C-N 3.32Å; F704-L706 PolarHBondContact O-N 3.41Å; F704-I707 HydrophobicContact CD1-CD1 4.31Å; F704-I707 PolarHBondContact O-N 3.43Å; F704-S708 WeakPolarHBondContact O-CB 3.49Å; F704-S708 PolarHBondContact O-N 2.9Å; F704-S708 PolarHBondContact O-OG 3.49Å; F704-S708 VanDerWaalsContact O-OG 3.05Å
705	S	91.8	Very high	87.8	Confident	82 Å²	82	53.3 Å²	53.3	57%	0.573	33%	0.332	S	S	*	.	H	α-helix	trans	-58.3	-42	174.6	176.9	0	0	0	0	112.6	A701 I702 S708 L709	A701-S705 VanDerWaalsContact O-CB 3.27Å; A701-S705 WeakPolarHBondContact O-CB 3.36Å; A701-S705 PolarHBondContact O-N 2.84Å; I702-S705 PolarHBondContact O-N 2.87Å; S705-S708 PolarHBondContact O-N 3.48Å; S705-L709 PolarHBondContact O-N 3.33Å
706	L	91.8	Very high	88.2	Confident	40 Å²	40	53.9 Å²	53.9	21%	0.209	33%	0.333	C	S	.	.	H	α-helix	trans	-67.2	-40.4	175	-66.4	168.8	0	0	0	112.3	A668 L671 I702 T703 F704 L709 Y759 L763	A668-L706 HydrophobicContact CB-CB 3.87Å; A668-L706 HydrophobicContact CB-CD1 4.23Å; L671-L706 HydrophobicContact CD2-CD1 4.02Å; I702-L706 HydrophobicContact CG2-CD1 4.42Å; I702-L706 WeakPolarHBondContact O-CG 3.32Å; I702-L706 PolarHBondContact O-N 2.93Å; T703-L706 PolarHBondContact O-N 2.78Å; F704-L706 VanDerWaalsContact C-N 3.32Å; F704-L706 PolarHBondContact O-N 3.41Å; L706-L709 PolarHBondContact O-N 2.85Å; L706-Y759 PolarHBondContact O-OH 3.21Å; L706-L763 HydrophobicContact CD2-CD2 4.34Å
707	I	93.1	Very high	88.4	Confident	12 Å²	12	54 Å²	54	6%	0.062	32%	0.323	C	S	.	.	H	α-helix	trans	-65.7	-39.9	176.5	-65.7	160.3	0	0	0	111.2	V628 L661 I665 A668 T703 F704 L709 Q710 L711	V628-I707 HydrophobicContact CG1-CD1 4.43Å; L661-I707 HydrophobicContact CD1-CG2 3.91Å; I665-I707 HydrophobicContact CB-CD1 4.31Å; I665-I707 HydrophobicContact CG1-CD1 3.9Å; I665-I707 HydrophobicContact CG1-CG1 4Å; I665-I707 HydrophobicContact CG1-CG2 4Å; I665-I707 HydrophobicContact CG2-CD1 4.31Å; A668-I707 HydrophobicContact CB-CD1 4.49Å; A668-I707 HydrophobicContact CB-CG1 3.96Å; T703-I707 HydrophobicContact CG2-CD1 3.93Å; T703-I707 WeakPolarHBondContact O-CD1 3.27Å; T703-I707 WeakPolarHBondContact O-CG1 3.39Å; T703-I707 PolarHBondContact O-N 2.92Å; T703-I707 VanDerWaalsContact O-N 3.11Å; F704-I707 HydrophobicContact CD1-CD1 4.31Å; F704-I707 PolarHBondContact O-N 3.43Å; I707-L709 PolarHBondContact O-N 2.86Å; I707-Q710 PolarHBondContact O-N 3.3Å; I707-Q710 VanDerWaalsContact O-N 3.16Å; I707-L711 HydrophobicContact CG2-CD1 4.04Å; I707-L711 HydrophobicContact CG2-CG 4.39Å; I707-L711 PolarHBondContact O-N 2.65Å
708	S	90.8	Very high	88.6	Confident	66 Å²	66	53.2 Å²	53.2	46%	0.462	31%	0.307	S	S	.	.	H	α-helix	trans	-61.2	-28.3	178.1	-67.7	0	0	0	0	113.2	F704 S705 L711 L712	F704-S708 WeakPolarHBondContact O-CB 3.49Å; F704-S708 PolarHBondContact O-N 2.9Å; F704-S708 PolarHBondContact O-OG 3.49Å; F704-S708 VanDerWaalsContact O-OG 3.05Å; S705-S708 PolarHBondContact O-N 3.48Å; S708-L711 PolarHBondContact O-N 2.85Å; S708-L712 WeakPolarHBondContact O-CB 3.49Å; S708-L712 PolarHBondContact O-N 3.23Å
709	L	90.7	Very high	88.6	Confident	98 Å²	98	58.2 Å²	58.2	51%	0.513	34%	0.336	S	S	.	.	H	α-helix	trans	-69.6	-39.3	175.9	-170.4	60.6	0	0	0	112	S705 L706 I707 G713 Y759	S705-L709 PolarHBondContact O-N 3.33Å; L706-L709 PolarHBondContact O-N 2.85Å; I707-L709 PolarHBondContact O-N 2.86Å; L709-G713 PolarHBondContact O-N 2.66Å; L709-G713 VanDerWaalsContact O-N 3.1Å; L709-Y759 HydrophobicContact CD2-CD2 4.49Å; L709-Y759 HydrophobicContact CD2-CE2 3.7Å; L709-Y759 HydrophobicContact CG-CE2 4.38Å
710	Q	90.3	Very high	88.7	Confident	10 Å²	10	63 Å²	63	5%	0.047	37%	0.366	C	S	.	.	H	α-helix	trans	-65.4	-43.1	171	-179.1	70	28.1	0	0	111.4	S664 I707 G713 I714 L756 Y759	S664-Q710 WeakPolarHBondContact OG-CB 3.44Å; I707-Q710 PolarHBondContact O-N 3.3Å; I707-Q710 VanDerWaalsContact O-N 3.16Å; Q710-G713 PolarHBondContact O-N 3.26Å; Q710-I714 HydrophobicContact CG-CD1 3.92Å; Q710-I714 WeakPolarHBondContact O-CG1 3.41Å; Q710-I714 PolarHBondContact O-N 3.38Å; Q710-L756 PolarHBondContact NE2-O 3.07Å; Q710-Y759 HydrophobicContact CB-CD1 3.97Å; Q710-Y759 HydrophobicContact CB-CE1 4.19Å; Q710-Y759 VanDerWaalsContact OE1-CD1 3.28Å
711	L	89.6	Confident	88.3	Confident	65 Å²	65	62.9 Å²	62.9	34%	0.34	37%	0.366	S	S	.	.	H	α-helix	trans	-61.7	-45.2	178.3	-73.1	170.7	0	0	0	111.8	L661 I707 S708 G713 I714 C715	L661-L711 HydrophobicContact CD1-CD2 3.61Å; L661-L711 HydrophobicContact CD1-CG 3.86Å; L661-L711 HydrophobicContact CD2-CD2 3.76Å; L661-L711 HydrophobicContact CG-CD2 4.31Å; I707-L711 HydrophobicContact CG2-CD1 4.04Å; I707-L711 HydrophobicContact CG2-CG 4.39Å; I707-L711 PolarHBondContact O-N 2.65Å; S708-L711 PolarHBondContact O-N 2.85Å; L711-G713 VanDerWaalsContact C-N 3.34Å; L711-G713 PolarHBondContact O-N 2.95Å; L711-I714 PolarHBondContact O-N 2.8Å; L711-C715 PolarHBondContact O-N 3.01Å; L711-C715 PolarHBondContact O-SG 2.71Å
712	L	89.7	Confident	88	Confident	108 Å²	108	64.2 Å²	64.2	57%	0.565	37%	0.369	S	S	*	.	H	α-helix	trans	-60.3	-44.3	175.8	-177.8	64.4	0	0	0	111.4	S708 I714 C715 V716	S708-L712 WeakPolarHBondContact O-CB 3.49Å; S708-L712 PolarHBondContact O-N 3.23Å; L712-I714 PolarHBondContact O-N 3.11Å; L712-C715 PolarHBondContact O-N 3.44Å; L712-V716 WeakPolarHBondContact O-CG2 3.46Å; L712-V716 PolarHBondContact O-N 3.24Å
713	G	87.5	Confident	87.7	Confident	39 Å²	39	62.2 Å²	62.2	40%	0.402	36%	0.359	S	S	.	.	H	α-helix	trans	-56.9	-48.2	174.5	0	0	0	0	0	112.3	L709 Q710 L711 V716 W717	L709-G713 PolarHBondContact O-N 2.66Å; L709-G713 VanDerWaalsContact O-N 3.1Å; Q710-G713 PolarHBondContact O-N 3.26Å; L711-G713 VanDerWaalsContact C-N 3.34Å; L711-G713 PolarHBondContact O-N 2.95Å; G713-V716 PolarHBondContact O-N 3.15Å; G713-W717 VanDerWaalsContact O-CB 3.3Å; G713-W717 WeakPolarHBondContact O-CB 3.18Å; G713-W717 PolarHBondContact O-N 3.09Å
714	I	87.1	Confident	87.3	Confident	7 Å²	7	65.8 Å²	65.8	4%	0.036	38%	0.376	C	S	.	.	H	α-helix	trans	-59.6	-48	176	-69.1	164.7	0	0	0	111	I657 L661 Q710 L711 L712 V716 W717 F718 L756	I657-I714 HydrophobicContact CG1-CG2 4.23Å; I657-I714 WeakPolarHBondContact O-CD1 3.27Å; L661-I714 HydrophobicContact CB-CD1 4.38Å; Q710-I714 HydrophobicContact CG-CD1 3.92Å; Q710-I714 WeakPolarHBondContact O-CG1 3.41Å; Q710-I714 PolarHBondContact O-N 3.38Å; L711-I714 PolarHBondContact O-N 2.8Å; L712-I714 PolarHBondContact O-N 3.11Å; I714-V716 PolarHBondContact O-N 2.8Å; I714-W717 CarbonylContact O-C 3.59Å; I714-W717 WeakPolarHBondContact O-CB 3.42Å; I714-W717 PolarHBondContact O-N 2.94Å; I714-W717 VanDerWaalsContact O-N 3.11Å; I714-F718 HydrophobicContact CG2-CD2 3.79Å; I714-F718 HydrophobicContact CG2-CE2 3.75Å; I714-F718 WeakPolarHBondContact O-CD2 3.37Å; I714-F718 PolarHBondContact O-N 2.99Å; I714-L756 HydrophobicContact CG1-CD2 4.03Å
715	C	87	Confident	87	Confident	77 Å²	77	63.1 Å²	63.1	52%	0.52	37%	0.37	S	S	.	.	H	α-helix	trans	-60.6	-44.8	-179.4	-69.6	0	0	0	0	112.7	L711 L712 W717 F718 V719	L711-C715 PolarHBondContact O-N 3.01Å; L711-C715 PolarHBondContact O-SG 2.71Å; L712-C715 PolarHBondContact O-N 3.44Å; C715-W717 VanDerWaalsContact C-N 3.29Å; C715-W717 PolarHBondContact O-N 3.05Å; C715-F718 PolarHBondContact O-N 2.83Å; C715-V719 PolarHBondContact O-N 3.37Å
716	V	87.6	Confident	86.6	Confident	79 Å²	79	61.5 Å²	61.5	48%	0.479	36%	0.357	S	S	.	.	H	α-helix	trans	-60.7	-42.1	173.8	172.6	0	0	0	0	110.6	L712 G713 I714 F718 V719 V720	L712-V716 WeakPolarHBondContact O-CG2 3.46Å; L712-V716 PolarHBondContact O-N 3.24Å; G713-V716 PolarHBondContact O-N 3.15Å; I714-V716 PolarHBondContact O-N 2.8Å; V716-F718 VanDerWaalsContact C-N 3.26Å; V716-F718 PolarHBondContact O-N 2.56Å; V716-V719 PolarHBondContact O-N 3.39Å; V716-V719 VanDerWaalsContact O-N 3.11Å; V716-V720 HydrophobicContact CG1-CG2 4.41Å; V716-V720 PolarHBondContact O-N 3.03Å; V716-V720 VanDerWaalsContact O-N 3.13Å
717	W	83.2	Confident	86.1	Confident	82 Å²	82	61.6 Å²	61.6	31%	0.311	36%	0.359	S	S	.	.	H	α-helix	trans	-67.2	-22.7	-179.4	-148.6	-105.9	0	0	0	113.6	R656 G713 I714 C715 D721 C755	R656-W717 PolarHBondContact NH2-O 2.86Å; G713-W717 VanDerWaalsContact O-CB 3.3Å; G713-W717 WeakPolarHBondContact O-CB 3.18Å; G713-W717 PolarHBondContact O-N 3.09Å; I714-W717 CarbonylContact O-C 3.59Å; I714-W717 WeakPolarHBondContact O-CB 3.42Å; I714-W717 PolarHBondContact O-N 2.94Å; I714-W717 VanDerWaalsContact O-N 3.11Å; C715-W717 VanDerWaalsContact C-N 3.29Å; C715-W717 PolarHBondContact O-N 3.05Å; W717-D721 PolarHBondContact O-N 3.2Å; W717-C755 HydrophobicContact CH2-CB 4.49Å
718	F	84.3	Confident	85.4	Confident	52 Å²	52	62.4 Å²	62.4	23%	0.228	36%	0.364	C	S	.	.	H	α-helix	trans	-79.2	-27.8	170.7	-92.8	-81.8	0	0	0	114	R656 I657 I714 C715 V716 S723	R656-F718 HydrophobicContact CB-CE2 4.17Å; R656-F718 HydrophobicContact CB-CZ 3.85Å; R656-F718 HydrophobicContact CG-CE2 3.87Å; R656-F718 HydrophobicContact CG-CZ 3.88Å; I657-F718 HydrophobicContact CD1-CE2 4.28Å; I657-F718 HydrophobicContact CD1-CZ 4.25Å; I657-F718 HydrophobicContact CG1-CE2 3.52Å; I657-F718 HydrophobicContact CG1-CZ 3.79Å; I714-F718 HydrophobicContact CG2-CD2 3.79Å; I714-F718 HydrophobicContact CG2-CE2 3.75Å; I714-F718 WeakPolarHBondContact O-CD2 3.37Å; I714-F718 PolarHBondContact O-N 2.99Å; C715-F718 PolarHBondContact O-N 2.83Å; V716-F718 VanDerWaalsContact C-N 3.26Å; V716-F718 PolarHBondContact O-N 2.56Å; F718-S723 WeakPolarHBondContact CE1-OG 3.29Å
719	V	84.9	Confident	84.6	Confident	130 Å²	130	61 Å²	61	79%	0.788	35%	0.349	S	S	*	.	H	α-helix	trans	-78.7	-35.8	178.1	175.2	0	0	0	0	111.3	C715 V716	C715-V719 PolarHBondContact O-N 3.37Å; V716-V719 PolarHBondContact O-N 3.39Å; V716-V719 VanDerWaalsContact O-N 3.11Å
720	V	85.5	Confident	83.5	Confident	110 Å²	110	63.4 Å²	63.4	67%	0.667	36%	0.358	S	S	*	.	H	α-helix	trans	-76.5	-35.4	179	175.5	0	0	0	0	112.3	V716	V716-V720 HydrophobicContact CG1-CG2 4.41Å; V716-V720 PolarHBondContact O-N 3.03Å; V716-V720 VanDerWaalsContact O-N 3.13Å
721	D	81.3	Confident	82.3	Confident	42 Å²	42	67.7 Å²	67.7	23%	0.225	38%	0.381	C	S	.	.	S	Bend	trans	-144.9	100.3	-172.9	167.7	40.2	0	0	0	110.1	R656 W717 S723	R656-D721 VanDerWaalsContact CZ-O 3.22Å; R656-D721 IonicContact CZ-OD2 3.53Å; R656-D721 IonicContact NH1-OD2 2.57Å; R656-D721 PolarHBondContact NH1-OD2 3.35Å; R656-D721 VanDerWaalsContact NH2-CG 3.3Å; R656-D721 PolarHBondContact NH2-O 3.26Å; R656-D721 IonicContact NH2-OD2 2.71Å; R656-D721 PolarHBondContact NH2-OD2 3.22Å; W717-D721 PolarHBondContact O-N 3.2Å; D721-S723 PolarHBondContact O-N 3.23Å
722	P	82.3	Confident	81.2	Confident	89 Å²	89	66.4 Å²	66.4	58%	0.578	37%	0.373	S	S	*	.			trans	-76.2	123.3	-179.7	29.7	-33	0	0	0	111.2	H724	P722-H724 PolarHBondContact O-N 3.41Å; P722-H724 PolarHBondContact O-ND1 3.41Å; P722-H724 VanDerWaalsContact O-ND1 3.14Å
723	S	81.8	Confident	80.3	Confident	8 Å²	8	64.2 Å²	64.2	6%	0.056	36%	0.358	C	S	.	.			trans	-62	126.9	178.3	54.3	0	0	0	0	111.7	L649 S653 F718 D721	L649-S723 VanDerWaalsContact CD1-O 3.26Å; L649-S723 WeakPolarHBondContact CD1-O 3.5Å; S653-S723 PolarHBondContact OG-OG 3.13Å; F718-S723 WeakPolarHBondContact CE1-OG 3.29Å; D721-S723 PolarHBondContact O-N 3.23Å
724	H	82.3	Confident	79.6	Confident	77 Å²	77	65 Å²	65	36%	0.356	36%	0.355	S	S	.	.			trans	-137.1	166.1	178.4	61.2	-74.9	0	0	0	111	P722 V726 D747	P722-H724 PolarHBondContact O-N 3.41Å; P722-H724 PolarHBondContact O-ND1 3.41Å; P722-H724 VanDerWaalsContact O-ND1 3.14Å; H724-V726 WeakPolarHBondContact CD2-CG2 3.21Å; H724-V726 WeakPolarHBondContact NE2-CG2 3.47Å; H724-D747 IonicContact CE1-OD2 3.75Å; H724-D747 PolarHBondContact CE1-OD2 2.75Å; H724-D747 VanDerWaalsContact CE1-OD2 3.3Å; H724-D747 IonicContact NE2-OD2 3.1Å; H724-D747 PolarHBondContact O-N 3.16Å
725	S	84.9	Confident	78.9	Confident	52 Å²	52	72.8 Å²	72.8	36%	0.364	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.3	178.7	55.6	0	0	0	0	110.7	P647 K745	P647-S725 VanDerWaalsContact O-CB 3.23Å; P647-S725 WeakPolarHBondContact O-CB 3.45Å; S725-K745 WeakPolarHBondContact CA-O 3.42Å
726	V	83.8	Confident	78.5	Confident	48 Å²	48	71.8 Å²	71.8	29%	0.291	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.9	-176.7	178.7	0	0	0	0	110.2	H724 K745 D747	H724-V726 WeakPolarHBondContact CD2-CG2 3.21Å; H724-V726 WeakPolarHBondContact NE2-CG2 3.47Å; V726-K745 PolarHBondContact N-O 3.11Å; V726-K745 PolarHBondContact O-N 3.45Å; V726-K745 VanDerWaalsContact O-O 3.12Å; V726-D747 HydrophobicContact CG2-CB 3.95Å
727	V	81.3	Confident	78.1	Confident	42 Å²	42	68.3 Å²	68.3	26%	0.255	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	112.3	167.3	-174.9	0	0	0	0	108.3	I578 F729 L744	I578-V727 HydrophobicContact CD1-CG1 4.07Å; I578-V727 HydrophobicContact CD1-CG2 3.87Å; I578-V727 HydrophobicContact CG1-CG1 3.97Å; I578-V727 HydrophobicContact CG2-CG1 4.24Å; V727-F729 HydrophobicContact CB-CE2 4.02Å; V727-F729 HydrophobicContact CB-CZ 4.14Å; V727-F729 HydrophobicContact CG1-CD1 4.26Å; V727-F729 HydrophobicContact CG1-CD2 4.19Å; V727-F729 HydrophobicContact CG1-CE1 3.73Å; V727-F729 HydrophobicContact CG1-CE2 3.65Å; V727-F729 HydrophobicContact CG1-CG 4.49Å; V727-F729 HydrophobicContact CG1-CZ 3.4Å; V727-L744 HydrophobicContact CG2-CD1 3.61Å
728	D	78	Confident	77.9	Confident	29 Å²	29	72.2 Å²	72.2	16%	0.155	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120.6	174.4	-166.8	-20.7	0	0	0	110	Q730 G742 V743 K745	D728-Q730 WeakPolarHBondContact OD1-CB 3.37Å; D728-Q730 PolarHBondContact OD1-N 3.36Å; D728-G742 CarbonylContact O-C 3.54Å; D728-G742 WeakPolarHBondContact O-CA 3.19Å; D728-V743 PolarHBondContact N-O 3.27Å; D728-V743 PolarHBondContact O-N 3.27Å; D728-K745 HydrophobicContact CB-CD 4.14Å; D728-K745 IonicContact OD2-NZ 3.2Å; D728-K745 PolarHBondContact OD2-NZ 3.18Å
729	F	74.5	Confident	77.6	Confident	36 Å²	36	74.9 Å²	74.9	16%	0.158	39%	0.39	C	S	.	.			trans	-103.9	-6.7	173.9	-59.8	-80.1	0	0	0	112.7	Y562 D563 I576 V727 R733	Y562-F729 HydrophobicContact CD1-CB 4.44Å; Y562-F729 HydrophobicContact CE1-CB 3.84Å; D563-F729 HydrophobicContact CB-CZ 4.49Å; I576-F729 HydrophobicContact CB-CD1 4.12Å; I576-F729 HydrophobicContact CB-CE1 3.91Å; I576-F729 HydrophobicContact CD1-CD1 4.24Å; I576-F729 HydrophobicContact CG2-CD1 3.89Å; I576-F729 HydrophobicContact CG2-CE1 3.99Å; V727-F729 HydrophobicContact CB-CE2 4.02Å; V727-F729 HydrophobicContact CB-CZ 4.14Å; V727-F729 HydrophobicContact CG1-CD1 4.26Å; V727-F729 HydrophobicContact CG1-CD2 4.19Å; V727-F729 HydrophobicContact CG1-CE1 3.73Å; V727-F729 HydrophobicContact CG1-CE2 3.65Å; V727-F729 HydrophobicContact CG1-CG 4.49Å; V727-F729 HydrophobicContact CG1-CZ 3.4Å; F729-R733 VanDerWaalsContact O-CB 3.31Å; F729-R733 WeakPolarHBondContact O-CB 3.28Å; F729-R733 PolarHBondContact O-N 2.69Å
730	Q	67.8	Low	77.5	Confident	149 Å²	149	68.7 Å²	68.7	70%	0.696	35%	0.353	S	S	*	.	S	Bend	trans	-77.7	-48.3	-170.5	-173.7	168.5	-35.9	0	0	111.8	D728 Q732	D728-Q730 WeakPolarHBondContact OD1-CB 3.37Å; D728-Q730 PolarHBondContact OD1-N 3.36Å; Q730-Q732 PolarHBondContact O-N 3.22Å
731	D	63.5	Low	77.3	Confident	100 Å²	100	68.4 Å²	68.4	54%	0.535	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19	-178.2	-80.6	-0.4	0	0	0	113.3	K814	D731-K814 IonicContact OD2-NZ 2.71Å; D731-K814 PolarHBondContact OD2-NZ 3.46Å
732	Q	67.4	Low	77.3	Confident	38 Å²	38	66.4 Å²	66.4	18%	0.178	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.7	15.3	-174.2	-73.5	-103.7	-16.1	0	0	114.5	Q730 T734 R741 V743 A812	Q730-Q732 PolarHBondContact O-N 3.22Å; Q732-T734 PolarHBondContact O-N 3.44Å; Q732-R741 VanDerWaalsContact CB-O 3.22Å; Q732-R741 WeakPolarHBondContact CB-O 3.16Å; Q732-R741 PolarHBondContact O-N 3.37Å; Q732-V743 HydrophobicContact CG-CG2 3.93Å; Q732-A812 PolarHBondContact NE2-O 2.7Å
733	R	70.7	Confident	77.3	Confident	62 Å²	62	63.4 Å²	63.4	23%	0.234	31%	0.31	C	S	.	.			trans	-80.1	78.7	171.7	-166.2	-173.1	-153.3	92.7	10.1	111.9	Y548 Y562 M564 F729	Y548-R733 VanDerWaalsContact CD1-NH2 3.29Å; Y548-R733 HydrophobicContact CE1-CG 4.28Å; Y548-R733 HydrophobicContact CE2-CG 4.18Å; Y548-R733 VanDerWaalsContact OH-CG 3.22Å; Y548-R733 WeakPolarHBondContact OH-CG 3.48Å; Y562-R733 VanDerWaalsContact CD2-NH1 3.34Å; Y562-R733 PolarHBondContact O-NH1 3.43Å; Y562-R733 PolarHBondContact O-NH2 3.47Å; M564-R733 PolarHBondContact O-NH2 3.15Å; F729-R733 VanDerWaalsContact O-CB 3.31Å; F729-R733 WeakPolarHBondContact O-CB 3.28Å; F729-R733 PolarHBondContact O-N 2.69Å
734	T	73.1	Confident	77.4	Confident	55 Å²	55	64.6 Å²	64.6	34%	0.337	32%	0.315	S	S	.	.			trans	-60	152.7	174.9	49.8	0	0	0	0	113.1	Y548 Q732 D736 F739 A740	Y548-T734 WeakPolarHBondContact CE2-O 3.29Å; Y548-T734 PolarHBondContact OH-O 3.36Å; Q732-T734 PolarHBondContact O-N 3.44Å; T734-D736 PolarHBondContact O-N 2.82Å; T734-D736 PolarHBondContact OG1-O 2.94Å; T734-F739 HydrophobicContact CG2-CB 4.36Å; T734-F739 VanDerWaalsContact OG1-C 3.25Å; T734-A740 PolarHBondContact OG1-N 2.93Å; T734-A740 VanDerWaalsContact OG1-N 3.14Å
735	L	72.9	Confident	77.4	Confident	172 Å²	172	64 Å²	64	90%	0.901	31%	0.312	S	S	*	.	S	Bend	trans	-52	-38.3	171.1	-104.2	159.2	0	0	0	112.4
736	D	77.6	Confident	77.4	Confident	56 Å²	56	62.3 Å²	62.3	30%	0.299	30%	0.299	S	S	.	.	S	Bend	trans	-90	114.9	176.1	-155.7	13.2	0	0	0	109.8	T734 R738 F739	T734-D736 PolarHBondContact O-N 2.82Å; T734-D736 PolarHBondContact OG1-O 2.94Å; D736-R738 PolarHBondContact O-N 3.35Å; D736-R738 VanDerWaalsContact O-N 3.09Å; D736-R738 IonicContact OD1-NE 2.76Å; D736-R738 IonicContact OD2-CZ 2.68Å; D736-R738 IonicContact OD2-NE 3.3Å; D736-R738 PolarHBondContact OD2-NE 3.17Å; D736-R738 IonicContact OD2-NH2 3.72Å; D736-R738 PolarHBondContact OD2-NH2 3.34Å; D736-F739 HydrophobicContact CB-CD2 4.09Å; D736-F739 PolarHBondContact O-N 3.19Å; D736-F739 WeakPolarHBondContact OD2-CE2 3.36Å
737	P	79	Confident	77.2	Confident	6 Å²	6	62.9 Å²	62.9	4%	0.039	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.9	-171.9	-19.4	29.3	0	0	0	114.9	G547 Y548 R565 P566 F739 A740	G547-P737 VanDerWaalsContact O-CG 3.25Å; G547-P737 WeakPolarHBondContact O-CG 3.47Å; Y548-P737 HydrophobicContact CD1-CB 4.17Å; Y548-P737 HydrophobicContact CD1-CG 4.29Å; Y548-P737 HydrophobicContact CD2-CG 4.15Å; Y548-P737 HydrophobicContact CE1-CB 3.86Å; Y548-P737 HydrophobicContact CE1-CG 4.25Å; Y548-P737 HydrophobicContact CE2-CB 4.47Å; Y548-P737 HydrophobicContact CE2-CG 4.09Å; Y548-P737 HydrophobicContact CG-CG 4.22Å; R565-P737 HydrophobicContact CB-CB 4.16Å; R565-P737 VanDerWaalsContact CD-O 3.22Å; R565-P737 WeakPolarHBondContact CD-O 3.36Å; R565-P737 PolarHBondContact NH1-O 3.31Å; R565-P737 VanDerWaalsContact NH1-O 3.12Å; P566-P737 HydrophobicContact CG-CB 4.2Å; P566-P737 HydrophobicContact CG-CG 4.18Å; P737-F739 VanDerWaalsContact C-N 3.31Å; P737-A740 WeakPolarHBondContact O-CB 3.28Å; P737-A740 PolarHBondContact O-N 3.5Å
738	R	79.3	Confident	77	Confident	163 Å²	163	63.5 Å²	63.5	62%	0.615	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-34.7	178.4	-65.7	-179	-64.6	170.9	3.6	112.3	R565 D736	R565-R738 PolarHBondContact NH1-O 2.81Å; D736-R738 PolarHBondContact O-N 3.35Å; D736-R738 VanDerWaalsContact O-N 3.09Å; D736-R738 IonicContact OD1-NE 2.76Å; D736-R738 IonicContact OD2-CZ 2.68Å; D736-R738 IonicContact OD2-NE 3.3Å; D736-R738 PolarHBondContact OD2-NE 3.17Å; D736-R738 IonicContact OD2-NH2 3.72Å; D736-R738 PolarHBondContact OD2-NH2 3.34Å
739	F	78.8	Confident	76.9	Confident	108 Å²	108	65 Å²	65	47%	0.474	32%	0.315	S	S	.	.	S	Bend	trans	-96.2	-1.8	179.9	-54.8	-64.1	0	0	0	113.5	T734 D736 P737 R741	T734-F739 HydrophobicContact CG2-CB 4.36Å; T734-F739 VanDerWaalsContact OG1-C 3.25Å; D736-F739 HydrophobicContact CB-CD2 4.09Å; D736-F739 PolarHBondContact O-N 3.19Å; D736-F739 WeakPolarHBondContact OD2-CE2 3.36Å; P737-F739 VanDerWaalsContact C-N 3.31Å; F739-R741 PolarHBondContact O-N 2.98Å; F739-R741 PolarHBondContact O-NH1 2.93Å
740	A	81.5	Confident	77.1	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.008	33%	0.325	C	S	.	.			trans	-64.3	130.1	174.7	0	0	0	0	0	110.8	Y548 T734 P737	Y548-A740 HydrophobicContact CE1-CB 4.3Å; Y548-A740 WeakPolarHBondContact OH-CB 3.45Å; T734-A740 PolarHBondContact OG1-N 2.93Å; T734-A740 VanDerWaalsContact OG1-N 3.14Å; P737-A740 WeakPolarHBondContact O-CB 3.28Å; P737-A740 PolarHBondContact O-N 3.5Å
741	R	81.6	Confident	77.5	Confident	103 Å²	103	65 Å²	65	39%	0.389	32%	0.321	S	S	.	.			trans	-140.4	153.5	-179.9	-59.5	-178.9	-171.7	101.7	-12.9	109.8	I576 P577 I579 Q732 F739	I576-R741 VanDerWaalsContact CG2-C 3.45Å; I576-R741 VanDerWaalsContact CG2-CA 3.47Å; P577-R741 HydrophobicContact CG-CG 4.35Å; P577-R741 CarbonylContact O-C 3.58Å; P577-R741 WeakPolarHBondContact O-CA 3.37Å; I579-R741 HydrophobicContact CD1-CB 3.88Å; I579-R741 HydrophobicContact CD1-CG 4.2Å; I579-R741 HydrophobicContact CG1-CB 4.06Å; I579-R741 HydrophobicContact CG1-CG 4.38Å; Q732-R741 VanDerWaalsContact CB-O 3.22Å; Q732-R741 WeakPolarHBondContact CB-O 3.16Å; Q732-R741 PolarHBondContact O-N 3.37Å; F739-R741 PolarHBondContact O-N 2.98Å; F739-R741 PolarHBondContact O-NH1 2.93Å
742	G	81.5	Confident	78.1	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	156.7	165.1	0	0	0	0	0	110.4	P577 I578 I579 D728	P577-G742 PolarHBondContact O-N 3.11Å; I578-G742 CarbonylContact C-O 3.58Å; I578-G742 WeakPolarHBondContact CA-O 3.32Å; I579-G742 PolarHBondContact N-O 3.32Å; D728-G742 CarbonylContact O-C 3.54Å; D728-G742 WeakPolarHBondContact O-CA 3.19Å
743	V	83.2	Confident	78.7	Confident	27 Å²	27	59.2 Å²	59.2	16%	0.164	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	118.7	175.6	-178.9	0	0	0	0	108.7	D728 Q732 L815	D728-V743 PolarHBondContact N-O 3.27Å; D728-V743 PolarHBondContact O-N 3.27Å; Q732-V743 HydrophobicContact CG-CG2 3.93Å; V743-L815 HydrophobicContact CG1-CD2 3.77Å
744	L	83.4	Confident	79.1	Confident	32 Å²	32	60.3 Å²	60.3	17%	0.168	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	120.9	175	-172.8	72.1	0	0	0	109.9	I578 I579 P647 V727	I578-L744 HydrophobicContact CG2-CB 3.84Å; I579-L744 PolarHBondContact O-N 3.25Å; I579-L744 VanDerWaalsContact O-N 3.1Å; P647-L744 HydrophobicContact CG-CB 4.44Å; P647-L744 HydrophobicContact CG-CD2 3.81Å; P647-L744 HydrophobicContact CG-CG 3.81Å; V727-L744 HydrophobicContact CG2-CD1 3.61Å
745	K	82	Confident	79.5	Confident	66 Å²	66	60.7 Å²	60.7	29%	0.287	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	158.6	-179.8	68.7	-173.9	-169.1	-173.4	0	111.5	S725 V726 D728	S725-K745 WeakPolarHBondContact CA-O 3.42Å; V726-K745 PolarHBondContact N-O 3.11Å; V726-K745 PolarHBondContact O-N 3.45Å; V726-K745 VanDerWaalsContact O-O 3.12Å; D728-K745 HydrophobicContact CB-CD 4.14Å; D728-K745 IonicContact OD2-NZ 3.2Å; D728-K745 PolarHBondContact OD2-NZ 3.18Å
746	C	83.8	Confident	79.9	Confident	15 Å²	15	53.2 Å²	53.2	10%	0.101	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	138.6	162.1	-59.5	0	0	0	0	108.5	C652 I748	C652-C746 WeakPolarHBondContact CA-SG 3.46Å; C652-C746 HydrophobicContact CB-CB 3.75Å; C652-C746 WeakPolarHBondContact CB-SG 3.2Å; C652-C746 VanDerWaalsContact SG-CA 3.52Å; C652-C746 WeakPolarHBondContact SG-CB 3.34Å; C652-C746 CovalentContact SG-SG 2.04Å; C652-C746 PolarHBondContact SG-SG 2.74Å; C746-I748 HydrophobicContact CB-CD1 3.95Å; C746-I748 HydrophobicContact CB-CG1 3.99Å; C746-I748 PolarHBondContact O-N 2.92Å
747	D	80.8	Confident	80.1	Confident	60 Å²	60	51 Å²	51	32%	0.321	25%	0.253	S	S	.	.			trans	-77	109.6	168.3	-164	44.9	0	0	0	109.8	H724 V726	H724-D747 IonicContact CE1-OD2 3.75Å; H724-D747 PolarHBondContact CE1-OD2 2.75Å; H724-D747 VanDerWaalsContact CE1-OD2 3.3Å; H724-D747 IonicContact NE2-OD2 3.1Å; H724-D747 PolarHBondContact O-N 3.16Å; V726-D747 HydrophobicContact CG2-CB 3.95Å
748	I	76.3	Confident	80.5	Confident	56 Å²	56	52.4 Å²	52.4	29%	0.287	27%	0.269	S	S	.	.			trans	-147.3	109.1	-179	-59.4	-179.1	0	0	0	105.3	C746 S752	C746-I748 HydrophobicContact CB-CD1 3.95Å; C746-I748 HydrophobicContact CB-CG1 3.99Å; C746-I748 PolarHBondContact O-N 2.92Å; I748-S752 VanDerWaalsContact CG2-OG 3.3Å; I748-S752 WeakPolarHBondContact CG2-OG 3.39Å
749	S	76.8	Confident	80.9	Confident	60 Å²	60	46.6 Å²	46.6	42%	0.42	25%	0.247	S	C	.	.			trans	-68.1	145.1	177.6	63	0	0	0	0	111.2	L751 S752 L753	S749-L751 PolarHBondContact O-N 3.48Å; S749-L751 VanDerWaalsContact O-N 3.15Å; S749-S752 PolarHBondContact N-OG 3.19Å; S749-S752 WeakPolarHBondContact O-CB 3.45Å; S749-S752 PolarHBondContact O-N 3.4Å; S749-S752 PolarHBondContact O-OG 2.94Å; S749-S752 WeakPolarHBondContact OG-CB 3.36Å; S749-S752 PolarHBondContact OG-N 2.84Å; S749-S752 PolarHBondContact OG-OG 2.79Å; S749-L753 PolarHBondContact O-N 2.63Å
750	D	77.8	Confident	81.3	Confident	70 Å²	70	41.4 Å²	41.4	37%	0.374	23%	0.225	S	C	.	.	H	α-helix	trans	-54.5	-36.6	177.5	-71.1	-51.3	0	0	0	112	L753 I754 F805 F806	D750-L753 PolarHBondContact O-N 3Å; D750-I754 WeakPolarHBondContact O-CG1 3.33Å; D750-I754 PolarHBondContact O-N 2.96Å; D750-I754 VanDerWaalsContact O-N 3.09Å; D750-F805 WeakPolarHBondContact OD1-CE1 3.42Å; D750-F806 HydrophobicContact CB-CE1 4.26Å
751	L	76.6	Confident	81.6	Confident	116 Å²	116	43.1 Å²	43.1	61%	0.607	23%	0.233	S	C	*	.	H	α-helix	trans	-60.7	-44.7	174.3	-176	58.9	0	0	0	112.5	S749 L753 I754 C755	S749-L751 PolarHBondContact O-N 3.48Å; S749-L751 VanDerWaalsContact O-N 3.15Å; L751-L753 VanDerWaalsContact C-N 3.28Å; L751-L753 PolarHBondContact O-N 2.79Å; L751-I754 PolarHBondContact O-N 2.95Å; L751-C755 PolarHBondContact O-N 2.82Å; L751-C755 PolarHBondContact O-SG 2.94Å; L751-C755 VanDerWaalsContact O-SG 3.34Å
752	S	77	Confident	82	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.6	-37.2	177.6	70.9	0	0	0	0	112.5	I748 S749 C755 L756	I748-S752 VanDerWaalsContact CG2-OG 3.3Å; I748-S752 WeakPolarHBondContact CG2-OG 3.39Å; S749-S752 PolarHBondContact N-OG 3.19Å; S749-S752 WeakPolarHBondContact O-CB 3.45Å; S749-S752 PolarHBondContact O-N 3.4Å; S749-S752 PolarHBondContact O-OG 2.94Å; S749-S752 WeakPolarHBondContact OG-CB 3.36Å; S749-S752 PolarHBondContact OG-N 2.84Å; S749-S752 PolarHBondContact OG-OG 2.79Å; S752-C755 PolarHBondContact O-N 2.87Å; S752-L756 WeakPolarHBondContact O-CB 3.42Å; S752-L756 VanDerWaalsContact O-CG 3.28Å; S752-L756 WeakPolarHBondContact O-CG 3.28Å; S752-L756 PolarHBondContact O-N 2.88Å
753	L	78.2	Confident	82.4	Confident	16 Å²	16	43.3 Å²	43.3	8%	0.084	24%	0.241	C	C	.	.	H	α-helix	trans	-66.5	-41.8	176.4	-174.6	68.6	0	0	0	111.8	L659 S749 D750 L751 L757 F805 L822	L659-L753 HydrophobicContact CD2-CD1 3.59Å; S749-L753 PolarHBondContact O-N 2.63Å; D750-L753 PolarHBondContact O-N 3Å; L751-L753 VanDerWaalsContact C-N 3.28Å; L751-L753 PolarHBondContact O-N 2.79Å; L753-L757 HydrophobicContact CD1-CD1 4.37Å; L753-L757 HydrophobicContact CG-CD1 4.34Å; L753-L757 WeakPolarHBondContact O-CG 3.34Å; L753-L757 PolarHBondContact O-N 3.1Å; L753-F805 HydrophobicContact CD2-CD2 4.35Å; L753-F805 HydrophobicContact CD2-CE1 3.77Å; L753-F805 HydrophobicContact CD2-CE2 3.56Å; L753-F805 HydrophobicContact CD2-CZ 3.23Å; L753-L822 HydrophobicContact CD1-CD2 4.39Å; L753-L822 HydrophobicContact CD2-CD1 4.29Å; L753-L822 HydrophobicContact CD2-CD2 4.39Å
754	I	81.1	Confident	82.7	Confident	85 Å²	85	42.5 Å²	42.5	44%	0.436	24%	0.236	S	C	.	.	H	α-helix	trans	-58.9	-49.1	172.8	-61.4	164.1	0	0	0	110.1	D750 L751 L756 L757 G758 F806	D750-I754 WeakPolarHBondContact O-CG1 3.33Å; D750-I754 PolarHBondContact O-N 2.96Å; D750-I754 VanDerWaalsContact O-N 3.09Å; L751-I754 PolarHBondContact O-N 2.95Å; I754-L756 PolarHBondContact O-N 3.38Å; I754-L757 PolarHBondContact O-N 3.36Å; I754-G758 PolarHBondContact O-N 2.87Å; I754-F806 HydrophobicContact CD1-CE1 4.33Å; I754-F806 HydrophobicContact CD1-CZ 3.66Å; I754-F806 HydrophobicContact CG1-CZ 3.77Å
755	C	80.2	Confident	83	Confident	63 Å²	63	44.8 Å²	44.8	43%	0.426	25%	0.251	S	S	.	.	H	α-helix	trans	-61.1	-45	-178.7	-69.4	0	0	0	0	112.4	W717 L751 S752 L757 G758	W717-C755 HydrophobicContact CH2-CB 4.49Å; L751-C755 PolarHBondContact O-N 2.82Å; L751-C755 PolarHBondContact O-SG 2.94Å; L751-C755 VanDerWaalsContact O-SG 3.34Å; S752-C755 PolarHBondContact O-N 2.87Å; C755-L757 VanDerWaalsContact C-N 3.3Å; C755-L757 PolarHBondContact O-N 2.78Å; C755-G758 PolarHBondContact O-N 2.94Å
756	L	80.6	Confident	83.4	Confident	14 Å²	14	44 Å²	44	7%	0.073	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-34.3	178.5	-75	166.4	0	0	0	113.2	R656 Q710 I714 S752 I754	R656-L756 HydrophobicContact CG-CD1 4.27Å; Q710-L756 PolarHBondContact NE2-O 3.07Å; I714-L756 HydrophobicContact CG1-CD2 4.03Å; S752-L756 WeakPolarHBondContact O-CB 3.42Å; S752-L756 VanDerWaalsContact O-CG 3.28Å; S752-L756 WeakPolarHBondContact O-CG 3.28Å; S752-L756 PolarHBondContact O-N 2.88Å; I754-L756 PolarHBondContact O-N 3.38Å
757	L	82.9	Confident	83.6	Confident	9 Å²	9	43.2 Å²	43.2	5%	0.047	25%	0.247	C	C	.	.	H	α-helix	trans	-87.2	-22.6	178.1	-64.3	177.7	0	0	0	113.2	L659 L753 I754 C755 Y759 S760 M761 W798 F801	L659-L757 HydrophobicContact CG-CD2 4.33Å; L753-L757 HydrophobicContact CD1-CD1 4.37Å; L753-L757 HydrophobicContact CG-CD1 4.34Å; L753-L757 WeakPolarHBondContact O-CG 3.34Å; L753-L757 PolarHBondContact O-N 3.1Å; I754-L757 PolarHBondContact O-N 3.36Å; C755-L757 VanDerWaalsContact C-N 3.3Å; C755-L757 PolarHBondContact O-N 2.78Å; L757-Y759 PolarHBondContact O-N 3.36Å; L757-S760 WeakPolarHBondContact O-CB 3.29Å; L757-S760 PolarHBondContact O-N 3.06Å; L757-M761 PolarHBondContact O-N 3.06Å; L757-W798 HydrophobicContact CD1-CH2 4.32Å; L757-W798 HydrophobicContact CD1-CZ3 4.24Å; L757-W798 HydrophobicContact CD2-CH2 4.1Å; L757-F801 HydrophobicContact CD1-CE1 4.1Å; L757-F801 HydrophobicContact CD1-CZ 4.45Å
758	G	86.9	Confident	84	Confident	36 Å²	36	41.1 Å²	41.1	37%	0.371	24%	0.236	S	C	.	.	H	α-helix	trans	-58.3	-38.8	-173.8	0	0	0	0	0	114.7	I754 C755 M761 L762	I754-G758 PolarHBondContact O-N 2.87Å; C755-G758 PolarHBondContact O-N 2.94Å; G758-M761 WeakPolarHBondContact O-CB 3.23Å; G758-M761 PolarHBondContact O-N 2.98Å; G758-L762 PolarHBondContact O-N 3.04Å
759	Y	88.9	Confident	84.6	Confident	41 Å²	41	42 Å²	42	16%	0.161	24%	0.244	C	C	.	.	H	α-helix	trans	-70.7	-36.5	175.1	-178.3	-107.9	0	0	0	112.6	L706 L709 Q710 L757 M761 L762 L763	L706-Y759 PolarHBondContact O-OH 3.21Å; L709-Y759 HydrophobicContact CD2-CD2 4.49Å; L709-Y759 HydrophobicContact CD2-CE2 3.7Å; L709-Y759 HydrophobicContact CG-CE2 4.38Å; Q710-Y759 HydrophobicContact CB-CD1 3.97Å; Q710-Y759 HydrophobicContact CB-CE1 4.19Å; Q710-Y759 VanDerWaalsContact OE1-CD1 3.28Å; L757-Y759 PolarHBondContact O-N 3.36Å; Y759-M761 VanDerWaalsContact C-N 3.3Å; Y759-M761 PolarHBondContact O-N 3.28Å; Y759-L762 HydrophobicContact CD2-CD2 4.34Å; Y759-L762 WeakPolarHBondContact O-CB 3.34Å; Y759-L762 PolarHBondContact O-N 3.18Å; Y759-L763 HydrophobicContact CD1-CD1 4.02Å; Y759-L763 HydrophobicContact CD1-CG 4.33Å; Y759-L763 HydrophobicContact CE1-CD1 3.52Å; Y759-L763 HydrophobicContact CE1-CD2 4.37Å; Y759-L763 HydrophobicContact CE1-CG 3.9Å; Y759-L763 HydrophobicContact CE2-CG 4.44Å; Y759-L763 PolarHBondContact O-N 2.76Å
760	S	86.9	Confident	85	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.7	-36	172	-74.4	0	0	0	0	111.9	G660 S664 L757 M764	G660-S760 PolarHBondContact O-OG 2.97Å; S664-S760 PolarHBondContact N-OG 3.4Å; L757-S760 WeakPolarHBondContact O-CB 3.29Å; L757-S760 PolarHBondContact O-N 3.06Å; S760-M764 VanDerWaalsContact O-CB 3.26Å; S760-M764 WeakPolarHBondContact O-CB 3.37Å; S760-M764 PolarHBondContact O-N 3.35Å
761	M	87.1	Confident	85.4	Confident	37 Å²	37	39.6 Å²	39.6	18%	0.182	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-44	170.8	-66.6	-72.3	-163	0	0	111.9	L757 G758 Y759 L763 M764 V765 W798 I802	L757-M761 PolarHBondContact O-N 3.06Å; G758-M761 WeakPolarHBondContact O-CB 3.23Å; G758-M761 PolarHBondContact O-N 2.98Å; Y759-M761 VanDerWaalsContact C-N 3.3Å; Y759-M761 PolarHBondContact O-N 3.28Å; M761-L763 PolarHBondContact O-N 2.99Å; M761-M764 PolarHBondContact O-N 3.15Å; M761-M764 HydrophobicContact SD-CE 3.69Å; M761-V765 WeakPolarHBondContact O-CG2 3.45Å; M761-V765 PolarHBondContact O-N 3.2Å; M761-W798 HydrophobicContact CE-CB 3.96Å; M761-W798 HydrophobicContact CE-CD2 3.58Å; M761-W798 HydrophobicContact CE-CE3 3.22Å; M761-W798 HydrophobicContact CE-CG 3.95Å; M761-W798 HydrophobicContact CE-CZ3 3.84Å; M761-W798 HydrophobicContact SD-CB 3.92Å; M761-W798 HydrophobicContact SD-CD2 3.86Å; M761-W798 HydrophobicContact SD-CE3 4.15Å; M761-W798 HydrophobicContact SD-CG 3.81Å; M761-I802 HydrophobicContact CE-CD1 4.04Å; M761-I802 HydrophobicContact CE-CG1 4.27Å
762	L	90.5	Very high	85.8	Confident	102 Å²	102	38.4 Å²	38.4	53%	0.534	22%	0.215	S	C	.	.	H	α-helix	trans	-62	-42.7	177.3	-177.7	63.3	0	0	0	112	G758 Y759 T766	G758-L762 PolarHBondContact O-N 3.04Å; Y759-L762 HydrophobicContact CD2-CD2 4.34Å; Y759-L762 WeakPolarHBondContact O-CB 3.34Å; Y759-L762 PolarHBondContact O-N 3.18Å; L762-T766 HydrophobicContact CD1-CG2 4.48Å; L762-T766 WeakPolarHBondContact O-CB 3.05Å; L762-T766 WeakPolarHBondContact O-CG2 3.07Å; L762-T766 PolarHBondContact O-N 3.25Å; L762-T766 PolarHBondContact O-OG1 2.9Å
763	L	89.6	Confident	86.1	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-62.2	-41.7	172.3	-71.8	179.2	0	0	0	111.8	A668 L671 L706 Y759 M761 T766 C767	A668-L763 HydrophobicContact CB-CD1 4.49Å; L671-L763 HydrophobicContact CD2-CD2 3.92Å; L706-L763 HydrophobicContact CD2-CD2 4.34Å; Y759-L763 HydrophobicContact CD1-CD1 4.02Å; Y759-L763 HydrophobicContact CD1-CG 4.33Å; Y759-L763 HydrophobicContact CE1-CD1 3.52Å; Y759-L763 HydrophobicContact CE1-CD2 4.37Å; Y759-L763 HydrophobicContact CE1-CG 3.9Å; Y759-L763 HydrophobicContact CE2-CG 4.44Å; Y759-L763 PolarHBondContact O-N 2.76Å; M761-L763 PolarHBondContact O-N 2.99Å; L763-T766 WeakPolarHBondContact CA-OG1 3.28Å; L763-T766 PolarHBondContact O-OG1 3.33Å; L763-T766 VanDerWaalsContact O-OG1 3.07Å; L763-C767 VanDerWaalsContact O-CB 3.29Å; L763-C767 WeakPolarHBondContact O-CB 3.4Å; L763-C767 PolarHBondContact O-N 3.05Å; L763-C767 PolarHBondContact O-SG 3.16Å
764	M	88.9	Confident	86.2	Confident	10 Å²	10	43.9 Å²	43.9	5%	0.049	24%	0.238	C	C	.	.	H	α-helix	trans	-66.9	-41.2	179.4	-179.2	-84.1	-65.6	0	0	112.6	Y667 S760 M761 C767 T768 M791 C795 W798	Y667-M764 HydrophobicContact CD1-CB 4.14Å; Y667-M764 HydrophobicContact CD1-CG 4.4Å; Y667-M764 HydrophobicContact CD2-CB 4.1Å; Y667-M764 HydrophobicContact CE1-CB 3.93Å; Y667-M764 HydrophobicContact CE1-CG 3.76Å; Y667-M764 HydrophobicContact CE2-CB 3.89Å; Y667-M764 HydrophobicContact CE2-CG 4.22Å; Y667-M764 HydrophobicContact CG-CB 4.24Å; S760-M764 VanDerWaalsContact O-CB 3.26Å; S760-M764 WeakPolarHBondContact O-CB 3.37Å; S760-M764 PolarHBondContact O-N 3.35Å; M761-M764 PolarHBondContact O-N 3.15Å; M761-M764 HydrophobicContact SD-CE 3.69Å; M764-C767 WeakPolarHBondContact O-CB 3.35Å; M764-T768 PolarHBondContact O-N 3.32Å; M764-T768 VanDerWaalsContact O-N 3.11Å; M764-T768 PolarHBondContact O-OG1 2.98Å; M764-M791 HydrophobicContact CG-CE 3.99Å; M764-M791 VanDerWaalsContact O-CE 3.3Å; M764-M791 WeakPolarHBondContact O-CE 3.4Å; M764-C795 HydrophobicContact SD-CB 4.26Å; M764-C795 PolarHBondContact SD-SG 3.21Å; M764-W798 HydrophobicContact CE-CB 3.97Å; M764-W798 HydrophobicContact CE-CG 4.09Å
765	V	89.8	Confident	86.1	Confident	80 Å²	80	49.5 Å²	49.5	49%	0.485	25%	0.254	S	S	.	.	H	α-helix	trans	-66.4	-47	174.4	171.3	0	0	0	0	111.1	M761 C767 T768 V769	M761-V765 WeakPolarHBondContact O-CG2 3.45Å; M761-V765 PolarHBondContact O-N 3.2Å; V765-C767 PolarHBondContact O-N 3.2Å; V765-T768 WeakPolarHBondContact O-CB 3.24Å; V765-T768 PolarHBondContact O-N 3.39Å; V765-V769 PolarHBondContact O-N 2.97Å
766	T	89.8	Confident	85.7	Confident	48 Å²	48	50.1 Å²	50.1	29%	0.294	27%	0.271	S	S	.	.	H	α-helix	trans	-64.8	-40.5	178.5	50.7	0	0	0	0	112.3	L762 L763 T768 V769 Y770	L762-T766 HydrophobicContact CD1-CG2 4.48Å; L762-T766 WeakPolarHBondContact O-CB 3.05Å; L762-T766 WeakPolarHBondContact O-CG2 3.07Å; L762-T766 PolarHBondContact O-N 3.25Å; L762-T766 PolarHBondContact O-OG1 2.9Å; L763-T766 WeakPolarHBondContact CA-OG1 3.28Å; L763-T766 PolarHBondContact O-OG1 3.33Å; L763-T766 VanDerWaalsContact O-OG1 3.07Å; T766-T768 PolarHBondContact O-N 2.77Å; T766-V769 PolarHBondContact O-N 3.3Å; T766-Y770 WeakPolarHBondContact O-CD2 2.83Å; T766-Y770 PolarHBondContact O-N 2.86Å; T766-Y770 VanDerWaalsContact O-N 3.08Å
767	C	88.9	Confident	85.4	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-52.2	-43.4	168.7	-76.9	0	0	0	0	112	Y667 L671 L763 M764 V765 Y770 A771 M791	Y667-C767 PolarHBondContact O-SG 2.64Å; Y667-C767 VanDerWaalsContact O-SG 3.37Å; L671-C767 VanDerWaalsContact CB-SG 3.53Å; L671-C767 PolarHBondContact N-SG 3.34Å; L763-C767 VanDerWaalsContact O-CB 3.29Å; L763-C767 WeakPolarHBondContact O-CB 3.4Å; L763-C767 PolarHBondContact O-N 3.05Å; L763-C767 PolarHBondContact O-SG 3.16Å; M764-C767 WeakPolarHBondContact O-CB 3.35Å; V765-C767 PolarHBondContact O-N 3.2Å; C767-Y770 PolarHBondContact O-N 2.85Å; C767-A771 VanDerWaalsContact O-CB 3.31Å; C767-A771 WeakPolarHBondContact O-CB 3.33Å; C767-A771 PolarHBondContact O-N 2.91Å; C767-M791 HydrophobicContact CB-CE 3.36Å; C767-M791 HydrophobicContact CB-CG 4.37Å; C767-M791 HydrophobicContact CB-SD 3.77Å
768	T	88.2	Confident	84.7	Confident	16 Å²	16	53.2 Å²	53.2	10%	0.098	29%	0.292	C	S	.	.	H	α-helix	trans	-68.1	-40.3	-177.8	-56.1	0	0	0	0	111.7	M764 V765 T766 A771 I772 Y792 C795	M764-T768 PolarHBondContact O-N 3.32Å; M764-T768 VanDerWaalsContact O-N 3.11Å; M764-T768 PolarHBondContact O-OG1 2.98Å; V765-T768 WeakPolarHBondContact O-CB 3.24Å; V765-T768 PolarHBondContact O-N 3.39Å; T766-T768 PolarHBondContact O-N 2.77Å; T768-A771 PolarHBondContact O-N 3.09Å; T768-I772 HydrophobicContact CG2-CD1 4.25Å; T768-I772 VanDerWaalsContact O-CG1 3.3Å; T768-I772 WeakPolarHBondContact O-CG1 3.28Å; T768-I772 PolarHBondContact O-N 3.27Å; T768-Y792 HydrophobicContact CG2-CD1 4.03Å; T768-Y792 HydrophobicContact CG2-CE1 4.04Å; T768-C795 PolarHBondContact OG1-SG 2.97Å
769	V	89.6	Confident	83.5	Confident	74 Å²	74	57.4 Å²	57.4	45%	0.448	30%	0.302	S	S	.	.	H	α-helix	trans	-62.1	-43.7	174.1	176.4	0	0	0	0	111.5	V765 T766 I772 K773	V765-V769 PolarHBondContact O-N 2.97Å; T766-V769 PolarHBondContact O-N 3.3Å; V769-I772 PolarHBondContact O-N 2.77Å; V769-K773 PolarHBondContact O-N 2.77Å; V769-K773 VanDerWaalsContact O-N 3.14Å
770	Y	86.1	Confident	82	Confident	77 Å²	77	61.3 Å²	61.3	30%	0.302	33%	0.33	S	S	.	.	H	α-helix	trans	-66.6	-39.9	174.8	-80.4	-73.7	0	0	0	112.3	L671 Y678 T766 C767 I772 K773 T774	L671-Y770 HydrophobicContact CD1-CD2 3.61Å; L671-Y770 HydrophobicContact CD1-CE2 4.14Å; L671-Y770 HydrophobicContact CD1-CG 4.46Å; Y678-Y770 HydrophobicContact CD1-CD1 4.01Å; Y678-Y770 AromaticContact CD1-CE1 3.8Å; Y678-Y770 HydrophobicContact CD1-CE1 3.8Å; Y678-Y770 HydrophobicContact CE1-CE1 4.11Å; Y678-Y770 HydrophobicContact CG-CD1 4.09Å; Y678-Y770 HydrophobicContact CG-CE1 4.34Å; T766-Y770 WeakPolarHBondContact O-CD2 2.83Å; T766-Y770 PolarHBondContact O-N 2.86Å; T766-Y770 VanDerWaalsContact O-N 3.08Å; C767-Y770 PolarHBondContact O-N 2.85Å; Y770-I772 VanDerWaalsContact C-N 3.34Å; Y770-I772 PolarHBondContact O-N 3.12Å; Y770-K773 PolarHBondContact O-N 2.9Å; Y770-K773 VanDerWaalsContact O-N 3.15Å; Y770-T774 PolarHBondContact O-N 2.81Å; Y770-T774 PolarHBondContact O-OG1 2.86Å
771	A	84.6	Confident	80.8	Confident	3 Å²	3	67.1 Å²	67.1	3%	0.025	36%	0.356	C	S	.	.	H	α-helix	trans	-59.9	-42.4	176.4	0	0	0	0	0	112.3	C767 T768 T774 R775 M791	C767-A771 VanDerWaalsContact O-CB 3.31Å; C767-A771 WeakPolarHBondContact O-CB 3.33Å; C767-A771 PolarHBondContact O-N 2.91Å; T768-A771 PolarHBondContact O-N 3.09Å; A771-T774 WeakPolarHBondContact CA-OG1 3.25Å; A771-T774 PolarHBondContact O-N 3.43Å; A771-T774 PolarHBondContact O-OG1 3.18Å; A771-R775 PolarHBondContact O-N 2.8Å; A771-M791 HydrophobicContact CB-CB 4.41Å; A771-M791 HydrophobicContact CB-CG 4.12Å
772	I	85.8	Confident	79.6	Confident	91 Å²	91	70.6 Å²	70.6	47%	0.467	38%	0.376	S	S	.	.	H	α-helix	trans	-58.8	-49	172.7	-68.6	162	0	0	0	110.4	T768 V769 Y770 T774 R775 Y792	T768-I772 HydrophobicContact CG2-CD1 4.25Å; T768-I772 VanDerWaalsContact O-CG1 3.3Å; T768-I772 WeakPolarHBondContact O-CG1 3.28Å; T768-I772 PolarHBondContact O-N 3.27Å; V769-I772 PolarHBondContact O-N 2.77Å; Y770-I772 VanDerWaalsContact C-N 3.34Å; Y770-I772 PolarHBondContact O-N 3.12Å; I772-T774 PolarHBondContact O-N 2.81Å; I772-R775 WeakPolarHBondContact O-CB 3.41Å; I772-R775 PolarHBondContact O-N 3.31Å; I772-Y792 HydrophobicContact CD1-CE1 4.31Å; I772-Y792 HydrophobicContact CG1-CE1 3.81Å; I772-Y792 WeakPolarHBondContact CG1-OH 3.22Å
773	K	84.3	Confident	78.9	Confident	125 Å²	125	68.7 Å²	68.7	54%	0.543	36%	0.364	S	S	.	.	H	α-helix	trans	-61	-29.2	177.6	-72.5	-174.2	174.9	-172.2	0	113.3	Y678 V769 Y770	Y678-K773 HydrophobicContact CD2-CB 3.91Å; Y678-K773 HydrophobicContact CE2-CB 3.89Å; Y678-K773 HydrophobicContact CE2-CD 3.87Å; Y678-K773 HydrophobicContact CE2-CG 4.43Å; V769-K773 PolarHBondContact O-N 2.77Å; V769-K773 VanDerWaalsContact O-N 3.14Å; Y770-K773 PolarHBondContact O-N 2.9Å; Y770-K773 VanDerWaalsContact O-N 3.15Å
774	T	78.8	Confident	78.2	Confident	6 Å²	6	68.9 Å²	68.9	4%	0.037	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	2.1	175	56.2	0	0	0	0	115.1	I677 Y770 A771 I772 G776 V777	I677-T774 HydrophobicContact CB-CG2 4.24Å; I677-T774 HydrophobicContact CG2-CG2 3.84Å; Y770-T774 PolarHBondContact O-N 2.81Å; Y770-T774 PolarHBondContact O-OG1 2.86Å; A771-T774 WeakPolarHBondContact CA-OG1 3.25Å; A771-T774 PolarHBondContact O-N 3.43Å; A771-T774 PolarHBondContact O-OG1 3.18Å; I772-T774 PolarHBondContact O-N 2.81Å; T774-G776 VanDerWaalsContact C-N 3.27Å; T774-G776 PolarHBondContact O-N 2.9Å; T774-V777 WeakPolarHBondContact O-CB 3.41Å; T774-V777 VanDerWaalsContact O-CG2 3.28Å; T774-V777 WeakPolarHBondContact O-CG2 3.38Å; T774-V777 PolarHBondContact O-N 3.42Å
775	R	79.6	Confident	77.7	Confident	202 Å²	202	74 Å²	74	76%	0.762	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-28.1	-176.2	-175.7	175.9	174.3	179	-3.3	114.1	A771 I772 V777	A771-R775 PolarHBondContact O-N 2.8Å; I772-R775 WeakPolarHBondContact O-CB 3.41Å; I772-R775 PolarHBondContact O-N 3.31Å; R775-V777 VanDerWaalsContact C-N 3.27Å; R775-V777 PolarHBondContact O-N 2.9Å
776	G	72.2	Confident	77.1	Confident	77 Å²	77	72.9 Å²	72.9	79%	0.794	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	15.6	-179.7	0	0	0	0	0	115.6	T774	T774-G776 VanDerWaalsContact C-N 3.27Å; T774-G776 PolarHBondContact O-N 2.9Å
777	V	74.4	Confident	76.8	Confident	16 Å²	16	71 Å²	71	10%	0.097	37%	0.371	C	S	.	.			trans	-76.5	132.4	179.5	165	0	0	0	0	110.9	I677 F681 T774 R775 F781 A784	I677-V777 HydrophobicContact CG2-CG2 4.13Å; F681-V777 HydrophobicContact CB-CG2 4.46Å; F681-V777 HydrophobicContact CD1-CG2 4.32Å; F681-V777 HydrophobicContact CD2-CG1 4.22Å; F681-V777 HydrophobicContact CD2-CG2 3.56Å; F681-V777 HydrophobicContact CE1-CG1 4.24Å; F681-V777 HydrophobicContact CE2-CB 4.35Å; F681-V777 HydrophobicContact CE2-CG1 3.58Å; F681-V777 HydrophobicContact CE2-CG2 3.82Å; F681-V777 HydrophobicContact CG-CG2 3.84Å; F681-V777 HydrophobicContact CZ-CG1 3.6Å; F681-V777 HydrophobicContact CZ-CG2 4.31Å; T774-V777 WeakPolarHBondContact O-CB 3.41Å; T774-V777 VanDerWaalsContact O-CG2 3.28Å; T774-V777 WeakPolarHBondContact O-CG2 3.38Å; T774-V777 PolarHBondContact O-N 3.42Å; R775-V777 VanDerWaalsContact C-N 3.27Å; R775-V777 PolarHBondContact O-N 2.9Å; V777-F781 HydrophobicContact CG1-CB 3.86Å; V777-A784 HydrophobicContact CB-CB 4.18Å; V777-A784 HydrophobicContact CG1-CB 4.29Å
778	P	68.2	Low	76.4	Confident	71 Å²	71	71.3 Å²	71.3	46%	0.461	37%	0.374	S	S	.	.			trans	-65.6	154.9	178.8	27.1	-35.6	0	0	0	112.9	F681 T780 F781	F681-P778 HydrophobicContact CE1-CG 4.06Å; P778-T780 PolarHBondContact O-N 3.05Å; P778-F781 PolarHBondContact O-N 3.41Å; P778-F781 VanDerWaalsContact O-N 3.11Å
779	E	60.9	Low	76.2	Confident	124 Å²	124	75.7 Å²	75.7	58%	0.579	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-66.7	-13	-167.3	-54.9	-157.7	129.7	0	0	115.1	F781 N782 K785	E779-F781 PolarHBondContact O-N 2.85Å; E779-N782 PolarHBondContact O-N 2.82Å; E779-N782 PolarHBondContact O-ND2 2.87Å; E779-N782 PolarHBondContact O-OD1 3.4Å; E779-K785 IonicContact OE1-NZ 2.86Å; E779-K785 PolarHBondContact OE1-NZ 2.96Å
780	T	58.2	Low	75.8	Confident	123 Å²	123	72.8 Å²	72.8	76%	0.755	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-58.9	-25.5	171	51.3	0	0	0	0	112.6	P778	P778-T780 PolarHBondContact O-N 3.05Å
781	F	60.8	Low	75.7	Confident	122 Å²	122	69.1 Å²	69.1	54%	0.535	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-108.2	65.3	170.9	-77	-92	0	0	0	111.7	F681 V777 P778 E779 E783 A784	F681-F781 HydrophobicContact CE2-CB 4.35Å; F681-F781 HydrophobicContact CE2-CD2 4.37Å; F681-F781 HydrophobicContact CE2-CG 4.28Å; F681-F781 HydrophobicContact CZ-CB 4.2Å; F681-F781 AromaticContact CZ-CD2 3.71Å; F681-F781 HydrophobicContact CZ-CD2 3.71Å; F681-F781 HydrophobicContact CZ-CE2 4.31Å; F681-F781 HydrophobicContact CZ-CG 4.03Å; V777-F781 HydrophobicContact CG1-CB 3.86Å; P778-F781 PolarHBondContact O-N 3.41Å; P778-F781 VanDerWaalsContact O-N 3.11Å; E779-F781 PolarHBondContact O-N 2.85Å; F781-E783 PolarHBondContact O-N 2.66Å; F781-A784 PolarHBondContact O-N 2.9Å
782	N	63	Low	75.7	Confident	111 Å²	111	72.8 Å²	72.8	59%	0.594	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-4.4	-175.8	-94.2	-48.9	0	0	0	117.8	E779 P786	E779-N782 PolarHBondContact O-N 2.82Å; E779-N782 PolarHBondContact O-ND2 2.87Å; E779-N782 PolarHBondContact O-OD1 3.4Å; N782-P786 WeakPolarHBondContact O-CD 3.29Å
783	E	74.1	Confident	75.5	Confident	62 Å²	62	70.8 Å²	70.8	29%	0.29	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-24.6	-178.2	-151.3	-178.1	156.6	0	0	114.1	S621 K673 F781 K785 P786 I787	S621-E783 WeakPolarHBondContact CB-OE2 3.41Å; S621-E783 VanDerWaalsContact OG-CD 3.31Å; S621-E783 PolarHBondContact OG-OE1 2.97Å; S621-E783 PolarHBondContact OG-OE2 2.88Å; K673-E783 WeakPolarHBondContact CE-OE1 3.17Å; K673-E783 IonicContact NZ-OE1 3.55Å; K673-E783 PolarHBondContact NZ-OE1 3.45Å; K673-E783 IonicContact NZ-OE2 2.69Å; F781-E783 PolarHBondContact O-N 2.66Å; E783-K785 PolarHBondContact O-N 2.79Å; E783-P786 VanDerWaalsContact O-CD 3.26Å; E783-P786 WeakPolarHBondContact O-CD 3.49Å; E783-P786 WeakPolarHBondContact O-CG 3.4Å; E783-I787 HydrophobicContact CG-CD1 3.93Å; E783-I787 HydrophobicContact CG-CG1 4.38Å; E783-I787 WeakPolarHBondContact O-CD1 3.26Å; E783-I787 WeakPolarHBondContact O-CG1 3.4Å; E783-I787 PolarHBondContact O-N 2.85Å
784	A	75.6	Confident	75.4	Confident	9 Å²	9	65.7 Å²	65.7	7%	0.074	35%	0.345	C	S	.	.	H	α-helix	trans	-63.9	-42.5	-176.2	0	0	0	0	0	113.1	V777 F781 I787 G788	V777-A784 HydrophobicContact CB-CB 4.18Å; V777-A784 HydrophobicContact CG1-CB 4.29Å; F781-A784 PolarHBondContact O-N 2.9Å; A784-I787 PolarHBondContact O-N 2.92Å; A784-G788 PolarHBondContact O-N 2.91Å
785	K	77.8	Confident	75.7	Confident	116 Å²	116	66.6 Å²	66.6	50%	0.504	35%	0.351	S	S	.	.	H	α-helix	trans	-60.1	-52.1	-179.9	-64.2	-174.3	179.6	-170.7	0	113.5	E779 E783 I787 G788 F789	E779-K785 IonicContact OE1-NZ 2.86Å; E779-K785 PolarHBondContact OE1-NZ 2.96Å; E783-K785 PolarHBondContact O-N 2.79Å; K785-I787 PolarHBondContact O-N 3.35Å; K785-G788 PolarHBondContact O-N 3.48Å; K785-F789 PolarHBondContact O-N 3Å
786	P	79.1	Confident	75.9	Confident	58 Å²	58	62.5 Å²	62.5	38%	0.377	34%	0.343	S	S	.	.	H	α-helix	trans	-69.3	-26.7	178.2	25.7	-34.6	0	0	0	114.1	N782 E783 T790	N782-P786 WeakPolarHBondContact O-CD 3.29Å; E783-P786 VanDerWaalsContact O-CD 3.26Å; E783-P786 WeakPolarHBondContact O-CD 3.49Å; E783-P786 WeakPolarHBondContact O-CG 3.4Å; P786-T790 PolarHBondContact O-N 3.37Å; P786-T790 PolarHBondContact O-OG1 3.16Å
787	I	82.2	Confident	76.4	Confident	8 Å²	8	61.1 Å²	61.1	4%	0.041	32%	0.319	C	S	.	.	H	α-helix	trans	-66.8	-49.7	170.8	-64.3	167	0	0	0	110	L670 T674 I677 E783 A784 K785 F789 T790 M791	L670-I787 HydrophobicContact CD2-CG2 4.5Å; T674-I787 HydrophobicContact CG2-CG2 3.51Å; I677-I787 HydrophobicContact CD1-CD1 4.24Å; E783-I787 HydrophobicContact CG-CD1 3.93Å; E783-I787 HydrophobicContact CG-CG1 4.38Å; E783-I787 WeakPolarHBondContact O-CD1 3.26Å; E783-I787 WeakPolarHBondContact O-CG1 3.4Å; E783-I787 PolarHBondContact O-N 2.85Å; A784-I787 PolarHBondContact O-N 2.92Å; K785-I787 PolarHBondContact O-N 3.35Å; I787-F789 PolarHBondContact O-N 3.12Å; I787-T790 WeakPolarHBondContact O-CA 3.42Å; I787-T790 WeakPolarHBondContact O-CB 3.38Å; I787-T790 PolarHBondContact O-N 2.66Å; I787-M791 HydrophobicContact CG2-CG 4.46Å; I787-M791 PolarHBondContact O-N 3.21Å
788	G	81.5	Confident	76.8	Confident	6 Å²	6	60.6 Å²	60.6	6%	0.062	32%	0.316	C	S	.	.	H	α-helix	trans	-56.1	-47	176.6	0	0	0	0	0	112.9	A784 K785 T790 M791 Y792	A784-G788 PolarHBondContact O-N 2.91Å; K785-G788 PolarHBondContact O-N 3.48Å; G788-T790 VanDerWaalsContact C-N 3.31Å; G788-T790 PolarHBondContact O-N 3.05Å; G788-M791 PolarHBondContact O-N 3.17Å; G788-Y792 WeakPolarHBondContact O-CD2 3.48Å; G788-Y792 WeakPolarHBondContact O-CE2 3.2Å; G788-Y792 PolarHBondContact O-N 3.13Å; G788-Y792 VanDerWaalsContact O-N 3.11Å
789	F	82.4	Confident	77.5	Confident	109 Å²	109	63.3 Å²	63.3	48%	0.478	33%	0.325	S	S	.	.	H	α-helix	trans	-57.8	-42.2	173.9	-177.6	-95.8	0	0	0	112.5	K785 I787 T793	K785-F789 PolarHBondContact O-N 3Å; I787-F789 PolarHBondContact O-N 3.12Å; F789-T793 HydrophobicContact CD1-CG2 4.33Å; F789-T793 HydrophobicContact CE1-CG2 3.85Å; F789-T793 HydrophobicContact CE2-CG2 4.29Å; F789-T793 HydrophobicContact CZ-CG2 3.82Å; F789-T793 WeakPolarHBondContact O-CG2 3.44Å; F789-T793 PolarHBondContact O-N 3.21Å; F789-T793 VanDerWaalsContact O-N 3.15Å; F789-T793 PolarHBondContact O-OG1 2.83Å
790	T	82.4	Confident	78.5	Confident	12 Å²	12	59.7 Å²	59.7	7%	0.074	32%	0.316	C	S	.	.	H	α-helix	trans	-58.3	-51.7	175.5	-56.7	0	0	0	0	110.6	P786 I787 G788 Y792 T793 T794 R830	P786-T790 PolarHBondContact O-N 3.37Å; P786-T790 PolarHBondContact O-OG1 3.16Å; I787-T790 WeakPolarHBondContact O-CA 3.42Å; I787-T790 WeakPolarHBondContact O-CB 3.38Å; I787-T790 PolarHBondContact O-N 2.66Å; G788-T790 VanDerWaalsContact C-N 3.31Å; G788-T790 PolarHBondContact O-N 3.05Å; T790-Y792 PolarHBondContact O-N 3.33Å; T790-T793 PolarHBondContact O-N 3.43Å; T790-T793 VanDerWaalsContact O-N 3.15Å; T790-T793 PolarHBondContact O-OG1 3.37Å; T790-T794 PolarHBondContact O-N 2.69Å; T790-T794 PolarHBondContact O-OG1 3.19Å; T790-R830 PolarHBondContact OG1-NE 3.12Å; T790-R830 VanDerWaalsContact OG1-NE 3.14Å; T790-R830 PolarHBondContact OG1-NH2 3.26Å
791	M	82.8	Confident	79.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-58.7	-49.6	-175.7	-67.2	-47.3	-48.6	0	0	111.9	Y667 L670 M764 C767 A771 I787 G788 T793 T794 C795	Y667-M791 HydrophobicContact CD1-CE 4.22Å; Y667-M791 HydrophobicContact CE1-CE 4.07Å; L670-M791 HydrophobicContact CD1-SD 4.31Å; M764-M791 HydrophobicContact CG-CE 3.99Å; M764-M791 VanDerWaalsContact O-CE 3.3Å; M764-M791 WeakPolarHBondContact O-CE 3.4Å; C767-M791 HydrophobicContact CB-CE 3.36Å; C767-M791 HydrophobicContact CB-CG 4.37Å; C767-M791 HydrophobicContact CB-SD 3.77Å; A771-M791 HydrophobicContact CB-CB 4.41Å; A771-M791 HydrophobicContact CB-CG 4.12Å; I787-M791 HydrophobicContact CG2-CG 4.46Å; I787-M791 PolarHBondContact O-N 3.21Å; G788-M791 PolarHBondContact O-N 3.17Å; M791-T793 VanDerWaalsContact C-N 3.3Å; M791-T793 PolarHBondContact O-N 2.65Å; M791-T794 WeakPolarHBondContact CA-OG1 3.38Å; M791-T794 PolarHBondContact O-N 3.4Å; M791-T794 PolarHBondContact O-OG1 3.15Å; M791-C795 PolarHBondContact O-N 3.45Å; M791-C795 PolarHBondContact O-SG 3.42Å
792	Y	84.6	Confident	80.4	Confident	80 Å²	80	52 Å²	52	31%	0.314	28%	0.275	S	S	.	.	H	α-helix	trans	-57.8	-41.5	177.1	-53.8	-42.2	0	0	0	112.4	T768 I772 G788 T790 T794 C795 I796	T768-Y792 HydrophobicContact CG2-CD1 4.03Å; T768-Y792 HydrophobicContact CG2-CE1 4.04Å; I772-Y792 HydrophobicContact CD1-CE1 4.31Å; I772-Y792 HydrophobicContact CG1-CE1 3.81Å; I772-Y792 WeakPolarHBondContact CG1-OH 3.22Å; G788-Y792 WeakPolarHBondContact O-CD2 3.48Å; G788-Y792 WeakPolarHBondContact O-CE2 3.2Å; G788-Y792 PolarHBondContact O-N 3.13Å; G788-Y792 VanDerWaalsContact O-N 3.11Å; T790-Y792 PolarHBondContact O-N 3.33Å; Y792-T794 PolarHBondContact O-N 2.76Å; Y792-C795 PolarHBondContact O-N 3.2Å; Y792-I796 WeakPolarHBondContact O-CG1 3.46Å; Y792-I796 PolarHBondContact O-N 3.33Å
793	T	82.5	Confident	81.3	Confident	50 Å²	50	50.7 Å²	50.7	31%	0.307	27%	0.273	S	S	.	.	H	α-helix	trans	-66.2	-35.2	176.2	57.4	0	0	0	0	113	F789 T790 M791 V797	F789-T793 HydrophobicContact CD1-CG2 4.33Å; F789-T793 HydrophobicContact CE1-CG2 3.85Å; F789-T793 HydrophobicContact CE2-CG2 4.29Å; F789-T793 HydrophobicContact CZ-CG2 3.82Å; F789-T793 WeakPolarHBondContact O-CG2 3.44Å; F789-T793 PolarHBondContact O-N 3.21Å; F789-T793 VanDerWaalsContact O-N 3.15Å; F789-T793 PolarHBondContact O-OG1 2.83Å; T790-T793 PolarHBondContact O-N 3.43Å; T790-T793 VanDerWaalsContact O-N 3.15Å; T790-T793 PolarHBondContact O-OG1 3.37Å; M791-T793 VanDerWaalsContact C-N 3.3Å; M791-T793 PolarHBondContact O-N 2.65Å; T793-V797 WeakPolarHBondContact O-CG2 3.45Å; T793-V797 PolarHBondContact O-N 3.27Å
794	T	82.6	Confident	81.6	Confident	18 Å²	18	51.6 Å²	51.6	11%	0.11	28%	0.278	C	S	.	.	H	α-helix	trans	-71.5	-34.6	175.8	48.8	0	0	0	0	113	T790 M791 Y792 I796 V797 W798	T790-T794 PolarHBondContact O-N 2.69Å; T790-T794 PolarHBondContact O-OG1 3.19Å; M791-T794 WeakPolarHBondContact CA-OG1 3.38Å; M791-T794 PolarHBondContact O-N 3.4Å; M791-T794 PolarHBondContact O-OG1 3.15Å; Y792-T794 PolarHBondContact O-N 2.76Å; T794-I796 VanDerWaalsContact C-N 3.34Å; T794-I796 PolarHBondContact O-N 3.26Å; T794-V797 PolarHBondContact O-N 3.22Å; T794-W798 PolarHBondContact O-N 3.2Å
795	C	84.3	Confident	81.5	Confident	25 Å²	25	51.4 Å²	51.4	17%	0.169	28%	0.276	C	S	.	.	H	α-helix	trans	-58.6	-46.4	173.7	-59.5	0	0	0	0	111.4	M764 T768 M791 Y792 V797 W798 L799	M764-C795 HydrophobicContact SD-CB 4.26Å; M764-C795 PolarHBondContact SD-SG 3.21Å; T768-C795 PolarHBondContact OG1-SG 2.97Å; M791-C795 PolarHBondContact O-N 3.45Å; M791-C795 PolarHBondContact O-SG 3.42Å; Y792-C795 PolarHBondContact O-N 3.2Å; C795-V797 PolarHBondContact O-N 3.17Å; C795-W798 PolarHBondContact O-N 3.26Å; C795-L799 WeakPolarHBondContact O-CB 3.34Å; C795-L799 VanDerWaalsContact O-CG 3.3Å; C795-L799 WeakPolarHBondContact O-CG 3.2Å; C795-L799 PolarHBondContact O-N 2.78Å
796	I	84.8	Confident	81.4	Confident	116 Å²	116	49.8 Å²	49.8	60%	0.595	27%	0.269	S	S	*	.	H	α-helix	trans	-64.8	-41	-178	-64.9	165.7	0	0	0	111.1	Y792 T794 L799 A800	Y792-I796 WeakPolarHBondContact O-CG1 3.46Å; Y792-I796 PolarHBondContact O-N 3.33Å; T794-I796 VanDerWaalsContact C-N 3.34Å; T794-I796 PolarHBondContact O-N 3.26Å; I796-L799 PolarHBondContact O-N 3.46Å; I796-A800 PolarHBondContact O-N 3.09Å; I796-A800 VanDerWaalsContact O-N 3.1Å
797	V	82.6	Confident	80.9	Confident	47 Å²	47	50 Å²	50	29%	0.285	28%	0.283	S	S	.	.	H	α-helix	trans	-63.8	-44.5	176	172.3	0	0	0	0	111.4	T793 T794 C795 A800 F801	T793-V797 WeakPolarHBondContact O-CG2 3.45Å; T793-V797 PolarHBondContact O-N 3.27Å; T794-V797 PolarHBondContact O-N 3.22Å; C795-V797 PolarHBondContact O-N 3.17Å; V797-A800 PolarHBondContact O-N 2.76Å; V797-F801 PolarHBondContact O-N 2.94Å
798	W	81.9	Confident	80.2	Confident	6 Å²	6	51 Å²	51	2%	0.023	29%	0.289	C	S	.	.	H	α-helix	trans	-67.9	-36.2	178.3	-83.6	123	0	0	0	113.7	M663 Y667 L757 M761 M764 T794 C795 A800 F801	M663-W798 HydrophobicContact CE-CZ2 3.51Å; M663-W798 HydrophobicContact CG-CZ2 4.48Å; Y667-W798 AromaticContact CZ-NE1 3.93Å; Y667-W798 PolarHBondContact OH-NE1 3.33Å; L757-W798 HydrophobicContact CD1-CH2 4.32Å; L757-W798 HydrophobicContact CD1-CZ3 4.24Å; L757-W798 HydrophobicContact CD2-CH2 4.1Å; M761-W798 HydrophobicContact CE-CB 3.96Å; M761-W798 HydrophobicContact CE-CD2 3.58Å; M761-W798 HydrophobicContact CE-CE3 3.22Å; M761-W798 HydrophobicContact CE-CG 3.95Å; M761-W798 HydrophobicContact CE-CZ3 3.84Å; M761-W798 HydrophobicContact SD-CB 3.92Å; M761-W798 HydrophobicContact SD-CD2 3.86Å; M761-W798 HydrophobicContact SD-CE3 4.15Å; M761-W798 HydrophobicContact SD-CG 3.81Å; M764-W798 HydrophobicContact CE-CB 3.97Å; M764-W798 HydrophobicContact CE-CG 4.09Å; T794-W798 PolarHBondContact O-N 3.2Å; C795-W798 PolarHBondContact O-N 3.26Å; W798-A800 VanDerWaalsContact C-N 3.3Å; W798-A800 PolarHBondContact O-N 3.3Å; W798-F801 HydrophobicContact CE3-CB 4.09Å; W798-F801 AromaticContact CE3-CD1 3.72Å; W798-F801 HydrophobicContact CE3-CD1 3.72Å; W798-F801 HydrophobicContact CE3-CE1 4.5Å; W798-F801 HydrophobicContact CE3-CG 4.03Å; W798-F801 AromaticContact CZ3-CD1 3.61Å; W798-F801 HydrophobicContact CZ3-CD1 3.61Å; W798-F801 AromaticContact CZ3-CE1 3.96Å; W798-F801 HydrophobicContact CZ3-CE1 3.96Å; W798-F801 HydrophobicContact CZ3-CG 4.06Å; W798-F801 PolarHBondContact O-N 3.01Å
799	L	82.9	Confident	79.1	Confident	128 Å²	128	52.3 Å²	52.3	67%	0.67	30%	0.297	S	S	*	.	H	α-helix	trans	-65.6	-32.7	173.4	-73.8	170	0	0	0	112.4	C795 I796 P803	C795-L799 WeakPolarHBondContact O-CB 3.34Å; C795-L799 VanDerWaalsContact O-CG 3.3Å; C795-L799 WeakPolarHBondContact O-CG 3.2Å; C795-L799 PolarHBondContact O-N 2.78Å; I796-L799 PolarHBondContact O-N 3.46Å; L799-P803 WeakPolarHBondContact O-CD 3.33Å
800	A	82	Confident	77.7	Confident	47 Å²	47	56.1 Å²	56.1	39%	0.388	32%	0.316	S	S	.	.	H	α-helix	trans	-76.3	-33.2	173.6	0	0	0	0	0	112.9	I796 V797 W798 P803 I804	I796-A800 PolarHBondContact O-N 3.09Å; I796-A800 VanDerWaalsContact O-N 3.1Å; V797-A800 PolarHBondContact O-N 2.76Å; W798-A800 VanDerWaalsContact C-N 3.3Å; W798-A800 PolarHBondContact O-N 3.3Å; A800-P803 WeakPolarHBondContact O-CD 3.3Å; A800-P803 WeakPolarHBondContact O-CG 3.47Å; A800-I804 VanDerWaalsContact O-CD1 3.32Å; A800-I804 WeakPolarHBondContact O-CD1 3.23Å; A800-I804 VanDerWaalsContact O-CG1 3.27Å; A800-I804 WeakPolarHBondContact O-CG1 3.41Å
801	F	81.4	Confident	76.5	Confident	10 Å²	10	57.4 Å²	57.4	4%	0.044	33%	0.326	C	S	.	.	H	α-helix	trans	-59.1	-48.9	-179.1	168.8	-101.3	0	0	0	113	L757 V797 W798 I804 F805 T821 L822 S825	L757-F801 HydrophobicContact CD1-CE1 4.1Å; L757-F801 HydrophobicContact CD1-CZ 4.45Å; V797-F801 PolarHBondContact O-N 2.94Å; W798-F801 HydrophobicContact CE3-CB 4.09Å; W798-F801 AromaticContact CE3-CD1 3.72Å; W798-F801 HydrophobicContact CE3-CD1 3.72Å; W798-F801 HydrophobicContact CE3-CE1 4.5Å; W798-F801 HydrophobicContact CE3-CG 4.03Å; W798-F801 AromaticContact CZ3-CD1 3.61Å; W798-F801 HydrophobicContact CZ3-CD1 3.61Å; W798-F801 AromaticContact CZ3-CE1 3.96Å; W798-F801 HydrophobicContact CZ3-CE1 3.96Å; W798-F801 HydrophobicContact CZ3-CG 4.06Å; W798-F801 PolarHBondContact O-N 3.01Å; F801-I804 PolarHBondContact O-N 3.48Å; F801-F805 HydrophobicContact CE1-CB 4.31Å; F801-F805 HydrophobicContact CE2-CB 4.14Å; F801-F805 HydrophobicContact CE2-CD2 4.29Å; F801-F805 HydrophobicContact CZ-CB 3.93Å; F801-F805 AromaticContact CZ-CD2 3.98Å; F801-F805 HydrophobicContact CZ-CD2 3.98Å; F801-F805 HydrophobicContact CZ-CG 4.02Å; F801-F805 PolarHBondContact O-N 3.25Å; F801-T821 HydrophobicContact CD2-CG2 3.83Å; F801-T821 HydrophobicContact CE2-CG2 4.05Å; F801-L822 HydrophobicContact CE2-CD2 3.84Å; F801-L822 HydrophobicContact CE2-CG 3.99Å; F801-L822 HydrophobicContact CZ-CD2 3.54Å; F801-L822 HydrophobicContact CZ-CG 4.08Å; F801-S825 WeakPolarHBondContact CD2-OG 3.47Å
802	I	78.9	Confident	75.2	Confident	75 Å²	75	61 Å²	61	39%	0.385	36%	0.356	S	S	.	.	H	α-helix	trans	-54.4	-57.6	-173.4	-64.4	169.3	0	0	0	112.5	M761 I804 F805 F806	M761-I802 HydrophobicContact CE-CD1 4.04Å; M761-I802 HydrophobicContact CE-CG1 4.27Å; I802-I804 VanDerWaalsContact C-N 3.32Å; I802-I804 PolarHBondContact O-N 2.99Å; I802-F805 PolarHBondContact O-N 3.34Å; I802-F806 HydrophobicContact CG2-CD2 4.09Å; I802-F806 HydrophobicContact CG2-CE2 4.11Å; I802-F806 VanDerWaalsContact O-CD2 3.24Å; I802-F806 WeakPolarHBondContact O-CD2 3.44Å; I802-F806 PolarHBondContact O-N 3.35Å
803	P	81.4	Confident	74.1	Confident	83 Å²	83	61 Å²	61	54%	0.539	36%	0.361	S	S	.	.	H	α-helix	trans	-66.1	-30.3	-178.9	25.7	-34.9	0	0	0	113.4	L799 A800 G807	L799-P803 WeakPolarHBondContact O-CD 3.33Å; A800-P803 WeakPolarHBondContact O-CD 3.3Å; A800-P803 WeakPolarHBondContact O-CG 3.47Å; P803-G807 WeakPolarHBondContact O-CA 3.4Å; P803-G807 PolarHBondContact O-N 3.24Å
804	I	79.6	Confident	73.4	Confident	80 Å²	80	61.2 Å²	61.2	41%	0.41	36%	0.358	S	S	.	.	H	α-helix	trans	-69	-42.1	176.6	-61.6	169.8	0	0	0	110.4	A800 F801 I802 T808 T821	A800-I804 VanDerWaalsContact O-CD1 3.32Å; A800-I804 WeakPolarHBondContact O-CD1 3.23Å; A800-I804 VanDerWaalsContact O-CG1 3.27Å; A800-I804 WeakPolarHBondContact O-CG1 3.41Å; F801-I804 PolarHBondContact O-N 3.48Å; I802-I804 VanDerWaalsContact C-N 3.32Å; I802-I804 PolarHBondContact O-N 2.99Å; I804-T808 HydrophobicContact CG2-CG2 4.38Å; I804-T808 WeakPolarHBondContact O-CB 3.07Å; I804-T808 VanDerWaalsContact O-CG2 3.25Å; I804-T808 WeakPolarHBondContact O-CG2 3.04Å; I804-T808 PolarHBondContact O-N 3.03Å; I804-T808 PolarHBondContact O-OG1 3.28Å; I804-T821 HydrophobicContact CB-CG2 4.28Å; I804-T821 HydrophobicContact CG2-CG2 3.75Å
805	F	74.9	Confident	72.6	Confident	6 Å²	6	62.5 Å²	62.5	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-62.4	-44	179.8	-178.5	-92.6	0	0	0	112.5	D750 L753 F801 I802 T808 Q818 L822	D750-F805 WeakPolarHBondContact OD1-CE1 3.42Å; L753-F805 HydrophobicContact CD2-CD2 4.35Å; L753-F805 HydrophobicContact CD2-CE1 3.77Å; L753-F805 HydrophobicContact CD2-CE2 3.56Å; L753-F805 HydrophobicContact CD2-CZ 3.23Å; F801-F805 HydrophobicContact CE1-CB 4.31Å; F801-F805 HydrophobicContact CE2-CB 4.14Å; F801-F805 HydrophobicContact CE2-CD2 4.29Å; F801-F805 HydrophobicContact CZ-CB 3.93Å; F801-F805 AromaticContact CZ-CD2 3.98Å; F801-F805 HydrophobicContact CZ-CD2 3.98Å; F801-F805 HydrophobicContact CZ-CG 4.02Å; F801-F805 PolarHBondContact O-N 3.25Å; I802-F805 PolarHBondContact O-N 3.34Å; F805-T808 PolarHBondContact O-OG1 2.83Å; F805-Q818 HydrophobicContact CD2-CB 4.34Å; F805-Q818 HydrophobicContact CD2-CG 4.06Å; F805-Q818 HydrophobicContact CE2-CB 3.94Å; F805-Q818 HydrophobicContact CE2-CG 3.78Å; F805-Q818 HydrophobicContact CZ-CG 4.44Å; F805-Q818 VanDerWaalsContact CZ-NE2 3.32Å; F805-Q818 PolarHBondContact O-NE2 2.96Å; F805-L822 HydrophobicContact CD2-CD1 4.4Å; F805-L822 HydrophobicContact CD2-CG 4.39Å; F805-L822 HydrophobicContact CE2-CD1 3.93Å; F805-L822 HydrophobicContact CE2-CG 4.4Å
806	F	74.1	Confident	71.8	Confident	81 Å²	81	63.6 Å²	63.6	36%	0.355	37%	0.365	S	S	.	.	H	α-helix	trans	-79.2	-38.9	178.5	-67.6	-65.5	0	0	0	113.3	D750 I754 I802 T808 S809	D750-F806 HydrophobicContact CB-CE1 4.26Å; I754-F806 HydrophobicContact CD1-CE1 4.33Å; I754-F806 HydrophobicContact CD1-CZ 3.66Å; I754-F806 HydrophobicContact CG1-CZ 3.77Å; I802-F806 HydrophobicContact CG2-CD2 4.09Å; I802-F806 HydrophobicContact CG2-CE2 4.11Å; I802-F806 VanDerWaalsContact O-CD2 3.24Å; I802-F806 WeakPolarHBondContact O-CD2 3.44Å; I802-F806 PolarHBondContact O-N 3.35Å; F806-T808 PolarHBondContact O-N 2.71Å; F806-S809 VanDerWaalsContact O-CB 3.26Å; F806-S809 WeakPolarHBondContact O-CB 3.07Å; F806-S809 PolarHBondContact O-N 2.96Å; F806-S809 PolarHBondContact O-OG 3.04Å
807	G	69.3	Low	70.9	Confident	64 Å²	64	60 Å²	60	66%	0.66	35%	0.346	S	S	*	.	H	α-helix	trans	-65.3	-20.6	-179.7	0	0	0	0	0	114.4	P803	P803-G807 WeakPolarHBondContact O-CA 3.4Å; P803-G807 PolarHBondContact O-N 3.24Å
808	T	68.1	Low	70.2	Confident	27 Å²	27	59 Å²	59	17%	0.166	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-4.3	-179.9	54.9	0	0	0	0	113.9	I804 F805 F806 Q810 S811 I817	I804-T808 HydrophobicContact CG2-CG2 4.38Å; I804-T808 WeakPolarHBondContact O-CB 3.07Å; I804-T808 VanDerWaalsContact O-CG2 3.25Å; I804-T808 WeakPolarHBondContact O-CG2 3.04Å; I804-T808 PolarHBondContact O-N 3.03Å; I804-T808 PolarHBondContact O-OG1 3.28Å; F805-T808 PolarHBondContact O-OG1 2.83Å; F806-T808 PolarHBondContact O-N 2.71Å; T808-Q810 PolarHBondContact O-N 3.18Å; T808-Q810 VanDerWaalsContact O-N 3.09Å; T808-S811 PolarHBondContact O-N 2.03Å; T808-S811 PolarHBondContact O-OG 2.69Å; T808-I817 HydrophobicContact CG2-CG2 3.56Å
809	S	56.8	Low	69.5	Low	35 Å²	35	59.6 Å²	59.6	25%	0.245	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-12	-175	64.8	0	0	0	0	116.2	F806 K814	F806-S809 VanDerWaalsContact O-CB 3.26Å; F806-S809 WeakPolarHBondContact O-CB 3.07Å; F806-S809 PolarHBondContact O-N 2.96Å; F806-S809 PolarHBondContact O-OG 3.04Å; S809-K814 VanDerWaalsContact O-CD 3.28Å; S809-K814 WeakPolarHBondContact O-CD 3.37Å; S809-K814 WeakPolarHBondContact O-CE 3.33Å; S809-K814 PolarHBondContact O-NZ 2.75Å
810	Q	54.1	Low	68.8	Low	188 Å²	188	54.7 Å²	54.7	88%	0.879	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-1.8	180	-66.5	-175.9	-17.2	0	0	114.2	T808	T808-Q810 PolarHBondContact O-N 3.18Å; T808-Q810 VanDerWaalsContact O-N 3.09Å
811	S	57.8	Low	68.1	Low	40 Å²	40	53.6 Å²	53.6	28%	0.28	31%	0.306	S	S	.	.	S	Bend	trans	-85.1	149.8	-176.2	64.1	0	0	0	0	112.7	T808 D813 K814	T808-S811 PolarHBondContact O-N 2.03Å; T808-S811 PolarHBondContact O-OG 2.69Å; S811-D813 PolarHBondContact O-N 2.8Å; S811-D813 VanDerWaalsContact O-N 3.17Å; S811-K814 WeakPolarHBondContact O-CB 3.33Å; S811-K814 PolarHBondContact O-N 3.47Å; S811-K814 VanDerWaalsContact O-N 3.08Å; S811-K814 PolarHBondContact OG-N 3.31Å
812	A	54.1	Low	67.5	Low	75 Å²	75	53.7 Å²	53.7	62%	0.62	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.5	175.9	0	0	0	0	0	112.9	Q732	Q732-A812 PolarHBondContact NE2-O 2.7Å
813	D	62.7	Low	67	Low	80 Å²	80	50.1 Å²	50.1	43%	0.428	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	13.8	179	-58.7	-55.4	0	0	0	113.8	S811 L815 Y816 I817	S811-D813 PolarHBondContact O-N 2.8Å; S811-D813 VanDerWaalsContact O-N 3.17Å; D813-L815 VanDerWaalsContact C-N 3.25Å; D813-L815 PolarHBondContact O-N 2.7Å; D813-L815 VanDerWaalsContact O-N 3.08Å; D813-Y816 HydrophobicContact CB-CD2 4.06Å; D813-Y816 WeakPolarHBondContact O-CB 3.45Å; D813-Y816 PolarHBondContact O-N 3.35Å; D813-I817 HydrophobicContact CB-CD1 3.91Å; D813-I817 HydrophobicContact CB-CG1 4.24Å; D813-I817 PolarHBondContact O-N 2.82Å
814	K	67.6	Low	66.2	Low	54 Å²	54	47.7 Å²	47.7	24%	0.235	27%	0.273	C	S	.	.	H	α-helix	trans	-38.5	-49.3	179.2	172.8	-177.2	-170.2	166.8	0	113.9	D731 S809 S811 Y816 I817 Q818	D731-K814 IonicContact OD2-NZ 2.71Å; D731-K814 PolarHBondContact OD2-NZ 3.46Å; S809-K814 VanDerWaalsContact O-CD 3.28Å; S809-K814 WeakPolarHBondContact O-CD 3.37Å; S809-K814 WeakPolarHBondContact O-CE 3.33Å; S809-K814 PolarHBondContact O-NZ 2.75Å; S811-K814 WeakPolarHBondContact O-CB 3.33Å; S811-K814 PolarHBondContact O-N 3.47Å; S811-K814 VanDerWaalsContact O-N 3.08Å; S811-K814 PolarHBondContact OG-N 3.31Å; K814-Y816 PolarHBondContact O-N 3.42Å; K814-I817 PolarHBondContact O-N 2.71Å; K814-Q818 HydrophobicContact CG-CG 4.46Å; K814-Q818 VanDerWaalsContact O-CB 3.25Å; K814-Q818 WeakPolarHBondContact O-CB 3.43Å; K814-Q818 WeakPolarHBondContact O-CG 3.39Å; K814-Q818 PolarHBondContact O-N 3.27Å
815	L	65.5	Low	65.5	Low	45 Å²	45	44.8 Å²	44.8	24%	0.236	26%	0.259	C	S	.	.	H	α-helix	trans	-59.8	-46.7	179.2	-180	63.9	0	0	0	112.6	V743 D813 T819	V743-L815 HydrophobicContact CG1-CD2 3.77Å; D813-L815 VanDerWaalsContact C-N 3.25Å; D813-L815 PolarHBondContact O-N 2.7Å; D813-L815 VanDerWaalsContact O-N 3.08Å; L815-T819 VanDerWaalsContact O-CB 3.24Å; L815-T819 WeakPolarHBondContact O-CB 3.28Å; L815-T819 PolarHBondContact O-N 2.87Å; L815-T819 VanDerWaalsContact O-N 3.17Å; L815-T819 PolarHBondContact O-OG1 3.46Å
816	Y	68.1	Low	64.7	Low	49 Å²	49	44.6 Å²	44.6	19%	0.192	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-46.7	179.4	-56.2	-82.5	0	0	0	110.8	L581 W587 D813 K814 T820	L581-Y816 HydrophobicContact CD1-CD1 3.5Å; L581-Y816 VanDerWaalsContact CD1-CD1 3.5Å; L581-Y816 HydrophobicContact CD1-CE1 3.56Å; W587-Y816 HydrophobicContact CB-CD1 4.25Å; W587-Y816 AromaticContact CD1-CD1 3.98Å; W587-Y816 HydrophobicContact CG-CD1 4.37Å; W587-Y816 HydrophobicContact CG-CG 4.47Å; D813-Y816 HydrophobicContact CB-CD2 4.06Å; D813-Y816 WeakPolarHBondContact O-CB 3.45Å; D813-Y816 PolarHBondContact O-N 3.35Å; K814-Y816 PolarHBondContact O-N 3.42Å; Y816-T820 VanDerWaalsContact O-CB 3.23Å; Y816-T820 WeakPolarHBondContact O-CB 3.33Å; Y816-T820 PolarHBondContact O-N 3.21Å; Y816-T820 PolarHBondContact O-OG1 3.12Å
817	I	66	Low	64	Low	41 Å²	41	41.7 Å²	41.7	21%	0.21	25%	0.247	C	C	.	.	H	α-helix	trans	-71.4	-43	-173.9	-60.3	169.1	0	0	0	111.2	T808 D813 K814 T821	T808-I817 HydrophobicContact CG2-CG2 3.56Å; D813-I817 HydrophobicContact CB-CD1 3.91Å; D813-I817 HydrophobicContact CB-CG1 4.24Å; D813-I817 PolarHBondContact O-N 2.82Å; K814-I817 PolarHBondContact O-N 2.71Å; I817-T821 WeakPolarHBondContact O-CB 3.4Å; I817-T821 PolarHBondContact O-N 3.25Å; I817-T821 PolarHBondContact O-OG1 3.31Å
818	Q	67.3	Low	63.2	Low	26 Å²	26	40.4 Å²	40.4	12%	0.121	23%	0.227	C	C	.	.	H	α-helix	trans	-65.6	-46	177.2	-73.1	-176.3	-37.9	0	0	111.5	F805 K814 T820 T821 L822	F805-Q818 HydrophobicContact CD2-CB 4.34Å; F805-Q818 HydrophobicContact CD2-CG 4.06Å; F805-Q818 HydrophobicContact CE2-CB 3.94Å; F805-Q818 HydrophobicContact CE2-CG 3.78Å; F805-Q818 HydrophobicContact CZ-CG 4.44Å; F805-Q818 VanDerWaalsContact CZ-NE2 3.32Å; F805-Q818 PolarHBondContact O-NE2 2.96Å; K814-Q818 HydrophobicContact CG-CG 4.46Å; K814-Q818 VanDerWaalsContact O-CB 3.25Å; K814-Q818 WeakPolarHBondContact O-CB 3.43Å; K814-Q818 WeakPolarHBondContact O-CG 3.39Å; K814-Q818 PolarHBondContact O-N 3.27Å; Q818-T820 PolarHBondContact O-N 3.2Å; Q818-T821 PolarHBondContact O-N 3.01Å; Q818-L822 WeakPolarHBondContact O-CB 3.31Å; Q818-L822 PolarHBondContact O-N 3.06Å
819	T	67.5	Low	62.2	Low	18 Å²	18	45.9 Å²	45.9	11%	0.11	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-44.5	177.1	-62.3	0	0	0	0	112	L581 M643 I644 L815 T823	L581-T819 HydrophobicContact CD2-CG2 4.05Å; M643-T819 HydrophobicContact CB-CG2 4.35Å; M643-T819 WeakPolarHBondContact O-CG2 3.46Å; I644-T819 HydrophobicContact CG1-CG2 4.44Å; L815-T819 VanDerWaalsContact O-CB 3.24Å; L815-T819 WeakPolarHBondContact O-CB 3.28Å; L815-T819 PolarHBondContact O-N 2.87Å; L815-T819 VanDerWaalsContact O-N 3.17Å; L815-T819 PolarHBondContact O-OG1 3.46Å; T819-T823 WeakPolarHBondContact O-CB 3.15Å; T819-T823 WeakPolarHBondContact O-CG2 3.2Å; T819-T823 PolarHBondContact O-N 3.39Å; T819-T823 PolarHBondContact O-OG1 2.04Å
820	T	67.3	Low	61.8	Low	25 Å²	25	48.1 Å²	48.1	15%	0.153	25%	0.252	C	S	.	.	H	α-helix	trans	-62.1	-43.5	175.3	-57	0	0	0	0	111.3	W587 P591 Y816 Q818 T823 V824	W587-T820 PolarHBondContact O-OG1 2.98Å; P591-T820 HydrophobicContact CG-CG2 4.01Å; Y816-T820 VanDerWaalsContact O-CB 3.23Å; Y816-T820 WeakPolarHBondContact O-CB 3.33Å; Y816-T820 PolarHBondContact O-N 3.21Å; Y816-T820 PolarHBondContact O-OG1 3.12Å; Q818-T820 PolarHBondContact O-N 3.2Å; T820-T823 PolarHBondContact O-OG1 3.45Å; T820-T823 VanDerWaalsContact O-OG1 3.07Å; T820-V824 HydrophobicContact CG2-CG2 4.34Å; T820-V824 VanDerWaalsContact O-CB 3.29Å; T820-V824 WeakPolarHBondContact O-CB 3.07Å; T820-V824 VanDerWaalsContact O-CG2 3.24Å; T820-V824 WeakPolarHBondContact O-CG2 3.07Å; T820-V824 PolarHBondContact O-N 3.17Å
821	T	67.3	Low	61	Low	23 Å²	23	49.1 Å²	49.1	14%	0.141	25%	0.253	C	S	.	.	H	α-helix	trans	-69.7	-42.6	-177.7	-58.8	0	0	0	0	111.9	F801 I804 I817 Q818 S825	F801-T821 HydrophobicContact CD2-CG2 3.83Å; F801-T821 HydrophobicContact CE2-CG2 4.05Å; I804-T821 HydrophobicContact CB-CG2 4.28Å; I804-T821 HydrophobicContact CG2-CG2 3.75Å; I817-T821 WeakPolarHBondContact O-CB 3.4Å; I817-T821 PolarHBondContact O-N 3.25Å; I817-T821 PolarHBondContact O-OG1 3.31Å; Q818-T821 PolarHBondContact O-N 3.01Å; T821-S825 VanDerWaalsContact O-CB 3.32Å; T821-S825 WeakPolarHBondContact O-CB 3.19Å; T821-S825 PolarHBondContact O-N 2.99Å; T821-S825 PolarHBondContact O-OG 2.88Å
822	L	69.4	Low	60.2	Low	12 Å²	12	55.9 Å²	55.9	6%	0.063	27%	0.273	C	S	.	.	H	α-helix	trans	-59.8	-50.4	174.3	-84.7	159.7	0	0	0	111.6	M643 L753 F801 F805 Q818 S825 N826	M643-L822 HydrophobicContact CE-CB 4.03Å; M643-L822 HydrophobicContact CE-CD1 3.79Å; M643-L822 HydrophobicContact CE-CG 4.39Å; L753-L822 HydrophobicContact CD1-CD2 4.39Å; L753-L822 HydrophobicContact CD2-CD1 4.29Å; L753-L822 HydrophobicContact CD2-CD2 4.39Å; F801-L822 HydrophobicContact CE2-CD2 3.84Å; F801-L822 HydrophobicContact CE2-CG 3.99Å; F801-L822 HydrophobicContact CZ-CD2 3.54Å; F801-L822 HydrophobicContact CZ-CG 4.08Å; F805-L822 HydrophobicContact CD2-CD1 4.4Å; F805-L822 HydrophobicContact CD2-CG 4.39Å; F805-L822 HydrophobicContact CE2-CD1 3.93Å; F805-L822 HydrophobicContact CE2-CG 4.4Å; Q818-L822 WeakPolarHBondContact O-CB 3.31Å; Q818-L822 PolarHBondContact O-N 3.06Å; L822-S825 PolarHBondContact O-N 2.89Å; L822-N826 VanDerWaalsContact O-CG 3.27Å; L822-N826 PolarHBondContact O-N 2.74Å; L822-N826 VanDerWaalsContact O-N 3.11Å; L822-N826 PolarHBondContact O-ND2 2.74Å
823	T	67.3	Low	59.6	Low	1 Å²	1	54.4 Å²	54.4	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-65	-43.3	-179.6	51.7	0	0	0	0	112.4	T640 M643 T819 T820 S825 N826 V827	T640-T823 HydrophobicContact CG2-CG2 4.05Å; M643-T823 HydrophobicContact CB-CG2 3.66Å; M643-T823 HydrophobicContact CG-CG2 4.14Å; T819-T823 WeakPolarHBondContact O-CB 3.15Å; T819-T823 WeakPolarHBondContact O-CG2 3.2Å; T819-T823 PolarHBondContact O-N 3.39Å; T819-T823 PolarHBondContact O-OG1 2.04Å; T820-T823 PolarHBondContact O-OG1 3.45Å; T820-T823 VanDerWaalsContact O-OG1 3.07Å; T823-S825 PolarHBondContact O-N 3.49Å; T823-N826 PolarHBondContact O-N 3.24Å; T823-V827 PolarHBondContact O-N 2.66Å
824	V	66.1	Low	58.3	Low	32 Å²	32	56.4 Å²	56.4	19%	0.194	27%	0.268	C	S	.	.	H	α-helix	trans	-70.2	-29.5	179.2	172.2	0	0	0	0	113.2	P591 T820	P591-V824 HydrophobicContact CG-CG2 4.3Å; T820-V824 HydrophobicContact CG2-CG2 4.34Å; T820-V824 VanDerWaalsContact O-CB 3.29Å; T820-V824 WeakPolarHBondContact O-CB 3.07Å; T820-V824 VanDerWaalsContact O-CG2 3.24Å; T820-V824 WeakPolarHBondContact O-CG2 3.07Å; T820-V824 PolarHBondContact O-N 3.17Å
825	S	63.5	Low	56.7	Low	18 Å²	18	61.7 Å²	61.7	13%	0.126	29%	0.291	C	S	.	.	H	α-helix	trans	-76.7	-30.2	174.5	-73.2	0	0	0	0	113.4	F801 T821 L822 T823 V827	F801-S825 WeakPolarHBondContact CD2-OG 3.47Å; T821-S825 VanDerWaalsContact O-CB 3.32Å; T821-S825 WeakPolarHBondContact O-CB 3.19Å; T821-S825 PolarHBondContact O-N 2.99Å; T821-S825 PolarHBondContact O-OG 2.88Å; L822-S825 PolarHBondContact O-N 2.89Å; T823-S825 PolarHBondContact O-N 3.49Å; S825-V827 PolarHBondContact O-N 3.15Å
826	N	59.9	Low	55.3	Low	3 Å²	3	62 Å²	62	2%	0.016	30%	0.3	C	S	.	.	H	α-helix	trans	-70.2	-18.7	172.5	-71.9	-25.2	0	0	0	113.2	L659 L822 T823 P828	L659-N826 WeakPolarHBondContact CD1-ND2 3.47Å; L822-N826 VanDerWaalsContact O-CG 3.27Å; L822-N826 PolarHBondContact O-N 2.74Å; L822-N826 VanDerWaalsContact O-N 3.11Å; L822-N826 PolarHBondContact O-ND2 2.74Å; T823-N826 PolarHBondContact O-N 3.24Å; N826-P828 VanDerWaalsContact O-CD 3.22Å; N826-P828 WeakPolarHBondContact O-CD 3.32Å
827	V	59	Low	54	Low	19 Å²	19	62.2 Å²	62.2	12%	0.115	31%	0.306	C	S	.	.	S	Bend	trans	-77.2	112.3	174.6	169.9	0	0	0	0	110.6	Y637 T823 S825 K829	Y637-V827 HydrophobicContact CD1-CG2 4.01Å; Y637-V827 HydrophobicContact CE1-CB 4.19Å; Y637-V827 HydrophobicContact CE1-CG1 3.76Å; Y637-V827 HydrophobicContact CE1-CG2 3.75Å; T823-V827 PolarHBondContact O-N 2.66Å; S825-V827 PolarHBondContact O-N 3.15Å; V827-K829 PolarHBondContact O-N 3.2Å
828	P	52.4	Low	52.7	Low	37 Å²	37	64.3 Å²	64.3	24%	0.24	32%	0.321	C	S	.	.			trans	-73	104.7	179.1	-12.8	30.1	0	0	0	109.5	N826 R830	N826-P828 VanDerWaalsContact O-CD 3.22Å; N826-P828 WeakPolarHBondContact O-CD 3.32Å; P828-R830 PolarHBondContact O-N 3.29Å
829	K	46.2	Very low	51.2	Low	143 Å²	143	66.2 Å²	66.2	62%	0.622	33%	0.334	S	S	*	.			trans	-69.2	56.9	-176.4	-71.7	-179.5	179.2	170.8	0	114.1	V827 K831	V827-K829 PolarHBondContact O-N 3.2Å; K829-K831 PolarHBondContact O-N 3.44Å
830	R	49	Very low	49.7	Very low	82 Å²	82	67.9 Å²	67.9	31%	0.309	35%	0.35	S	S	.	.			trans	-76	48.2	-176	-105.7	-178.9	166.2	-174.5	-2.7	113.8	T790 P828 R832 S833	T790-R830 PolarHBondContact OG1-NE 3.12Å; T790-R830 VanDerWaalsContact OG1-NE 3.14Å; T790-R830 PolarHBondContact OG1-NH2 3.26Å; P828-R830 PolarHBondContact O-N 3.29Å; R830-R832 PolarHBondContact O-N 3.25Å; R830-S833 PolarHBondContact O-N 3.2Å
831	K	37	Very low	48.2	Very low	208 Å²	208	70 Å²	70	90%	0.904	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-6.7	-177.2	-117	-173.7	-176.7	-176	0	116.1	K829	K829-K831 PolarHBondContact O-N 3.44Å
832	R	42.1	Very low	46.7	Very low	183 Å²	183	73 Å²	73	69%	0.691	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.6	-8	173.2	-70.9	-175.6	175.4	-177	-1.3	115.1	R830 L834 K835 A836	R830-R832 PolarHBondContact O-N 3.25Å; R832-L834 VanDerWaalsContact C-N 3.27Å; R832-L834 PolarHBondContact O-N 2.92Å; R832-K835 PolarHBondContact O-N 3.2Å; R832-A836 PolarHBondContact O-N 3.18Å
833	S	40.4	Very low	45	Very low	43 Å²	43	78.5 Å²	78.5	30%	0.301	42%	0.415	S	S	.	.	H	α-helix	trans	-68.3	-29.6	178.2	-159.5	0	0	0	0	111.9	R830 K835 A836 V837	R830-S833 PolarHBondContact O-N 3.2Å; S833-K835 VanDerWaalsContact C-N 3.31Å; S833-K835 PolarHBondContact O-N 3.11Å; S833-A836 PolarHBondContact O-N 3.19Å; S833-V837 PolarHBondContact O-N 3.44Å
834	L	36.6	Very low	43.5	Very low	122 Å²	122	82.7 Å²	82.7	64%	0.639	45%	0.445	S	S	*	.	H	α-helix	trans	-59.5	-41.4	173.3	-144.3	78.9	0	0	0	111.4	R832 A836 V837 V838	R832-L834 VanDerWaalsContact C-N 3.27Å; R832-L834 PolarHBondContact O-N 2.92Å; L834-A836 PolarHBondContact O-N 3.48Å; L834-V837 PolarHBondContact O-N 3.04Å; L834-V838 WeakPolarHBondContact O-CB 3.41Å; L834-V838 VanDerWaalsContact O-CG2 3.3Å; L834-V838 WeakPolarHBondContact O-CG2 3.06Å; L834-V838 PolarHBondContact O-N 3.48Å
835	K	33.4	Very low	42	Very low	166 Å²	166	88 Å²	88	72%	0.722	47%	0.472	S	S	*	.	H	α-helix	trans	-61.6	-41.4	174.4	-89.9	-164.8	171.3	-169.7	0	112	R832 S833 V837 V838 T839	R832-K835 PolarHBondContact O-N 3.2Å; S833-K835 VanDerWaalsContact C-N 3.31Å; S833-K835 PolarHBondContact O-N 3.11Å; K835-V837 PolarHBondContact O-N 2.89Å; K835-V838 PolarHBondContact O-N 3.47Å; K835-T839 WeakPolarHBondContact O-CB 3.33Å; K835-T839 PolarHBondContact O-N 3.45Å; K835-T839 PolarHBondContact O-OG1 3.1Å
836	A	35.1	Very low	40.6	Very low	51 Å²	51	96 Å²	96	42%	0.421	51%	0.505	S	S	.	.	H	α-helix	trans	-62.5	-41.6	178.7	0	0	0	0	0	112.7	R832 S833 L834 T839 A840	R832-A836 PolarHBondContact O-N 3.18Å; S833-A836 PolarHBondContact O-N 3.19Å; L834-A836 PolarHBondContact O-N 3.48Å; A836-T839 PolarHBondContact O-N 3.15Å; A836-A840 PolarHBondContact O-N 2.95Å
837	V	42	Very low	39.3	Very low	54 Å²	54	104.9 Å²	104.9	33%	0.327	54%	0.543	S	S	.	.	H	α-helix	trans	-69.9	-40.5	177	179.4	0	0	0	0	111.4	S833 L834 K835 A840 A841	S833-V837 PolarHBondContact O-N 3.44Å; L834-V837 PolarHBondContact O-N 3.04Å; K835-V837 PolarHBondContact O-N 2.89Å; V837-A840 PolarHBondContact O-N 2.9Å; V837-A841 PolarHBondContact O-N 3.31Å
838	V	38.3	Very low	37.9	Very low	84 Å²	84	110 Å²	110	51%	0.509	58%	0.575	S	S	.	*	H	α-helix	trans	-66	-36.7	174.9	171	0	0	0	0	112.1	L834 K835 A841 T842	L834-V838 WeakPolarHBondContact O-CB 3.41Å; L834-V838 VanDerWaalsContact O-CG2 3.3Å; L834-V838 WeakPolarHBondContact O-CG2 3.06Å; L834-V838 PolarHBondContact O-N 3.48Å; K835-V838 PolarHBondContact O-N 3.47Å; V838-A841 PolarHBondContact O-N 3.33Å; V838-T842 WeakPolarHBondContact O-CB 3.34Å; V838-T842 WeakPolarHBondContact O-CG2 3.48Å; V838-T842 PolarHBondContact O-N 3.45Å; V838-T842 PolarHBondContact O-OG1 3.16Å
839	T	36.1	Very low	37	Very low	66 Å²	66	116.6 Å²	116.6	41%	0.405	60%	0.603	S	S	.	*	H	α-helix	trans	-63.9	-42.1	171.3	-60.5	0	0	0	0	111.4	K835 A836 A841 T842 M843	K835-T839 WeakPolarHBondContact O-CB 3.33Å; K835-T839 PolarHBondContact O-N 3.45Å; K835-T839 PolarHBondContact O-OG1 3.1Å; A836-T839 PolarHBondContact O-N 3.15Å; T839-A841 PolarHBondContact O-N 2.81Å; T839-T842 WeakPolarHBondContact CA-OG1 3.44Å; T839-T842 PolarHBondContact O-N 3.48Å; T839-T842 PolarHBondContact O-OG1 3.03Å; T839-M843 HydrophobicContact CG2-CE 4Å; T839-M843 HydrophobicContact CG2-CG 4.34Å; T839-M843 HydrophobicContact CG2-SD 4.21Å; T839-M843 WeakPolarHBondContact O-CB 3.4Å; T839-M843 WeakPolarHBondContact O-CG 3.37Å; T839-M843 PolarHBondContact O-N 2.93Å
840	A	36.2	Very low	36.1	Very low	54 Å²	54	120 Å²	120	45%	0.446	62%	0.617	S	S	.	*	H	α-helix	trans	-62.9	-42.2	176	0	0	0	0	0	112.1	A836 V837	A836-A840 PolarHBondContact O-N 2.95Å; V837-A840 PolarHBondContact O-N 2.9Å
841	A	34.7	Very low	35.1	Very low	69 Å²	69	120 Å²	120	57%	0.57	64%	0.642	S	S	*	*	H	α-helix	trans	-64.3	-41.1	175	0	0	0	0	0	112.6	V837 V838 T839	V837-A841 PolarHBondContact O-N 3.31Å; V838-A841 PolarHBondContact O-N 3.33Å; T839-A841 PolarHBondContact O-N 2.81Å
842	T	35.8	Very low	34.7	Very low	87 Å²	87	117.1 Å²	117.1	53%	0.534	64%	0.637	S	S	.	*	H	α-helix	trans	-78.4	-25.3	-177.7	45.8	0	0	0	0	114.2	V838 T839 S844 N845	V838-T842 WeakPolarHBondContact O-CB 3.34Å; V838-T842 WeakPolarHBondContact O-CG2 3.48Å; V838-T842 PolarHBondContact O-N 3.45Å; V838-T842 PolarHBondContact O-OG1 3.16Å; T839-T842 WeakPolarHBondContact CA-OG1 3.44Å; T839-T842 PolarHBondContact O-N 3.48Å; T839-T842 PolarHBondContact O-OG1 3.03Å; T842-S844 PolarHBondContact O-N 3.1Å; T842-N845 PolarHBondContact O-N 2.83Å
843	M	34.6	Very low	34.1	Very low	126 Å²	126	115.8 Å²	115.8	62%	0.621	64%	0.636	S	S	*	*	H	α-helix	trans	-68.5	-21.4	175.3	-79.7	-171.8	169.1	0	0	113.4	T839 N845 K846	T839-M843 HydrophobicContact CG2-CE 4Å; T839-M843 HydrophobicContact CG2-CG 4.34Å; T839-M843 HydrophobicContact CG2-SD 4.21Å; T839-M843 WeakPolarHBondContact O-CB 3.4Å; T839-M843 WeakPolarHBondContact O-CG 3.37Å; T839-M843 PolarHBondContact O-N 2.93Å; M843-N845 PolarHBondContact O-N 2.78Å; M843-N845 VanDerWaalsContact O-N 3.17Å; M843-K846 PolarHBondContact O-N 2.96Å
844	S	36	Very low	33.6	Very low	90 Å²	90	124.3 Å²	124.3	63%	0.629	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-19.2	178.1	-163.5	0	0	0	0	113.9	T842	T842-S844 PolarHBondContact O-N 3.1Å
845	N	33.9	Very low	34.1	Very low	143 Å²	143	123.4 Å²	123.4	77%	0.765	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	3.9	-179.5	-80	5.2	0	0	0	114.3	T842 M843	T842-N845 PolarHBondContact O-N 2.83Å; M843-N845 PolarHBondContact O-N 2.78Å; M843-N845 VanDerWaalsContact O-N 3.17Å
846	K	34	Very low	33.8	Very low	187 Å²	187	123.4 Å²	123.4	81%	0.813	67%	0.671	S	S	*	*	S	Bend	trans	-110.2	-1.1	-176.2	-81.3	-162.2	171.9	-169.5	0	116.5	M843	M843-K846 PolarHBondContact O-N 2.96Å
847	F	31.6	Very low	33.3	Very low	189 Å²	189	124.3 Å²	124.3	83%	0.829	69%	0.686	S	S	*	*	S	Bend	trans	-103.9	5.7	-177.5	-91.9	-78.9	0	0	0	115.3	Q849	F847-Q849 PolarHBondContact O-N 2.95Å
848	T	31.5	Very low	32.5	Very low	127 Å²	127	131.7 Å²	131.7	78%	0.779	72%	0.717	S	S	*	*	S	Bend	trans	-92.7	18.9	-174.8	-19.8	0	0	0	0	114.5
849	Q	32.3	Very low	32	Very low	175 Å²	175	132 Å²	132	82%	0.818	73%	0.728	S	S	*	*	S	Bend	trans	-141.8	133.2	171.4	-79.3	-168.5	-14.2	0	0	111.6	F847	F847-Q849 PolarHBondContact O-N 2.95Å
850	K	27.5	Very low	31.5	Very low	214 Å²	214	138.5 Å²	138.5	93%	0.93	75%	0.751	S	S	*	*			trans	65.2	128	-172.2	-54.2	-176.5	-179.5	-177.8	0	113.5
851	G	27.7	Very low	31.1	Very low	81 Å²	81	140.2 Å²	140.2	84%	0.835	76%	0.76	S	S	*	*			cis	-157.6	173.7	-1.3	0	0	0	0	0	111.9
852	N	29.1	Very low	30.7	Very low	149 Å²	149	145.2 Å²	145.2	80%	0.797	77%	0.771	S	S	*	*			trans	-116.8	168.8	-177.2	-162.4	1.2	0	0	0	110
853	F	29.9	Very low	30.4	Very low	154 Å²	154	147.9 Å²	147.9	68%	0.675	78%	0.782	S	S	*	*			trans	80.2	101.5	175.4	-78.5	-95.8	0	0	0	120.7
854	R	29.7	Very low	30.1	Very low	222 Å²	222	146.5 Å²	146.5	84%	0.838	78%	0.783	S	S	*	*				76.4	158.9	122.7	-77.4	-161.9	172.5	175	-2.4	121
855	P	47	Very low	29.8	Very low	104 Å²	104	149.2 Å²	149.2	68%	0.675	79%	0.786	S	S	*	*			trans	-135.8	-163.5	-138.9	45.7	-28.3	0	0	0	116.4
856	N	26.2	Very low	29.4	Very low	165 Å²	165	148.6 Å²	148.6	88%	0.882	78%	0.782	S	S	*	*			trans	92.5	151.6	171.6	-59.6	-8.9	0	0	0	116.4
857	G	25.7	Very low	29.3	Very low	71 Å²	71	145.8 Å²	145.8	73%	0.732	78%	0.776	S	S	*	*			trans	124.5	71.3	154.8	0	0	0	0	0	118.7
858	E	25.4	Very low	29.2	Very low	208 Å²	208	145.5 Å²	145.5	97%	0.972	78%	0.777	S	S	*	*			trans	51.5	-155.6	148.1	-56.5	-164.9	114.6	0	0	119.2
859	A	27.6	Very low	29	Very low	91 Å²	91	143.6 Å²	143.6	75%	0.752	77%	0.774	S	S	*	*			trans	-151.9	-174.2	-152.2	0	0	0	0	0	113.3
860	K	24.6	Very low	30.2	Very low	203 Å²	203	141.5 Å²	141.5	88%	0.883	78%	0.776	S	S	*	*			trans	71.6	160.2	-173.2	-67.1	-178.4	177.5	-179.6	0	114.3
861	S	28.9	Very low	30.2	Very low	89 Å²	89	136.3 Å²	136.3	62%	0.622	77%	0.773	S	S	*	*			cis	-171.2	-166.3	-38.7	53.3	0	0	0	0	106.5
862	E	26.6	Very low	30.3	Very low	174 Å²	174	140.4 Å²	140.4	81%	0.813	78%	0.775	S	S	*	*			trans	69.3	162	168.3	-65.2	177.2	176.7	0	0	116.6
863	L	28.8	Very low	30.2	Very low	144 Å²	144	138 Å²	138	75%	0.754	78%	0.776	S	S	*	*			cis	-167.2	159	-42.2	-161	73	0	0	0	107.1
864	C	27.8	Very low	30.3	Very low	97 Å²	97	136.8 Å²	136.8	66%	0.655	78%	0.781	S	S	*	*			trans	65.5	160.3	154.7	-84.1	0	0	0	0	117.8
865	E	29.3	Very low	30.2	Very low	147 Å²	147	135.5 Å²	135.5	69%	0.687	78%	0.782	S	S	*	*			cis	-164	-171.6	-25.6	-150.9	162.9	177.9	0	0	108.9
866	N	27.3	Very low	29.4	Very low	129 Å²	129	138 Å²	138	69%	0.69	78%	0.784	S	S	*	*			trans	74.2	148.8	156.1	-58.7	-31.1	0	0	0	119.9
867	L	31.7	Very low	29.6	Very low	129 Å²	129	135.6 Å²	135.6	68%	0.675	78%	0.776	S	S	*	*			cis	-164	168.9	-37.2	-147.2	77.4	0	0	0	109.9
868	E	28.6	Very low	29.7	Very low	182 Å²	182	142.8 Å²	142.8	85%	0.85	78%	0.782	S	S	*	*			trans	72.3	168.9	149.4	-106.6	162.3	-150.9	0	0	122.6
869	A	28.3	Very low	30	Very low	88 Å²	88	138.5 Å²	138.5	73%	0.727	77%	0.77	S	S	*	*			trans	-149	-129.1	-159.8	0	0	0	0	0	114.8
870	P	56.7	Low	30.1	Very low	130 Å²	130	139.3 Å²	139.3	84%	0.844	77%	0.766	S	S	*	*				-118.1	172.2	-101.6	36.3	-22.7	0	0	0	116.2
871	A	27.3	Very low	30.7	Very low	106 Å²	106	138.8 Å²	138.8	88%	0.876	76%	0.76	S	S	*	*			trans	-149.9	155.4	165.2	0	0	0	0	0	112.9
872	L	30	Very low	30.9	Very low	166 Å²	166	139.6 Å²	139.6	87%	0.869	76%	0.761	S	S	*	*			trans	-153	137.9	-175.4	179.4	149.1	0	0	0	111.4
873	A	27.6	Very low	31.3	Very low	99 Å²	99	137 Å²	137	82%	0.818	75%	0.753	S	S	*	*			trans	-157.7	160.7	173.5	0	0	0	0	0	113
874	T	30.6	Very low	31.6	Very low	129 Å²	129	137.6 Å²	137.6	79%	0.791	75%	0.751	S	S	*	*			trans	-142.8	155.3	-171.1	35.6	0	0	0	0	112.8
875	K	28.6	Very low	32	Very low	194 Å²	194	137.1 Å²	137.1	84%	0.843	75%	0.754	S	S	*	*			trans	-172.8	155.5	138	-109.1	168.5	-176	-179	0	118
876	Q	30.7	Very low	32.5	Very low	157 Å²	157	141.8 Å²	141.8	73%	0.734	78%	0.781	S	S	*	*			trans	-48	151.7	168.3	-74.5	140.8	-49.3	0	0	114.9
877	T	28.8	Very low	32.8	Very low	114 Å²	114	142.4 Å²	142.4	70%	0.699	79%	0.786	S	S	*	*			cis	100.6	118.2	26.8	63.2	0	0	0	0	116.6
878	Y	29.5	Very low	32.9	Very low	222 Å²	222	143.1 Å²	143.1	87%	0.871	79%	0.792	S	S	*	*			trans	-149.6	151.3	155.1	-75.7	-83.6	0	0	0	107.9
879	V	31.3	Very low	33.1	Very low	118 Å²	118	140.9 Å²	140.9	72%	0.715	79%	0.788	S	S	*	*			cis	86.4	117.7	18.7	177.5	0	0	0	0	112.9
880	T	30.2	Very low	33.4	Very low	108 Å²	108	144.1 Å²	144.1	66%	0.663	79%	0.792	S	S	*	*			cis	-158.9	-160.4	-2.1	20.2	0	0	0	0	108
881	Y	35.3	Very low	31.9	Very low	193 Å²	193	144.9 Å²	144.9	76%	0.757	79%	0.789	S	S	*	*			cis	-167.7	172.3	10.2	-130.9	-23.4	0	0	0	112.4
882	T	34.9	Very low	32.2	Very low	106 Å²	106	147.5 Å²	147.5	65%	0.65	78%	0.783	S	S	*	*			trans	63.3	145.7	147.9	55	0	0	0	0	122.1
883	N	35.1	Very low	32.4	Very low	120 Å²	120	146.2 Å²	146.2	64%	0.642	78%	0.777	S	S	*	*			cis	-163.6	165.3	-11.3	-117.7	-3.6	0	0	0	114.9
884	H	33.4	Very low	32.8	Very low	155 Å²	155	149.8 Å²	149.8	72%	0.718	77%	0.774	S	S	*	*			trans	41.7	131.8	157.1	-58.1	-56.5	0	0	0	120.8
885	A	36.7	Very low	32.9	Very low	87 Å²	87	151.6 Å²	151.6	72%	0.719	77%	0.772	S	S	*	*			cis	78.6	103.3	20.9	0	0	0	0	0	117.3
886	I	40.8	Very low	33.3	Very low	245 Å²	245	147.7 Å²	147.7	100%	1.256	77%	0.766	S	S	*	*				-124.1	0	124.8	-64.1	-176.1	0	0	0	105.8

Retrieved 886 of 886 residues in 449.4 ms (Link to these results)

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