A0A023GPM5_DROME Loading...

Diacylglycerol kinase

AlphaFold DB , UniProt , Accession A0A023GPM5, Species DROME (Drosophila melanogaster, Fruit fly), Gene rdgA, Length 991 aa.

						>A0A023GPM5_DROME|A0A023GPM5|rdgA
MFSATNGKIKLPPEDAVLVTSPLRCLFNGPFRDLHFNVTDHRIIPVHDVVFLDDFERNVKPLIYRPVTSEVAASANVDEEATPAEEEQRSFIPISSDTRTASASNSRRPIRIVPDWTENAVQGEHYWKPTSASGDLCCLNEECIKSGQRMKCSACQLVAHHNCIPFVNEKSTLACKPTYRDVGIRQYREQTTTHHHWVHRKLEKGKCKQCGKFFPMKQAVQSKLFGSKEIVALACAWCHEIYHNKEACFNQAKIGEECRLGNYAPIIVPPSWIVKLPTKGNFKSSIRVSNKNNAASGSGGGGAGGGAGGGGGKSKKQTQRRQKGKEEKKEPRAFIVKPIPSPEVIPVIVFINPKSGGNQGHKLLGKFQHLLNPRQVFDLTQGGPKMGLDMFRKAPNLRVLACGGDGTVGWVLSVLDQIQPPLQPAPAVGVLPLGTGNDLARALGWGGGYTDEPIGKILREIGMSQCVLMDRWRVKVTPNDDVTDDHVDRSKPNVPLNVINNYFSFGVDAHIALEFHEAREAHPERFNSRLRNKMYYGQMGGKDLILRQYRNLSQWVTLECDGQDFTGKLRDAGCHAVLFLNIPSYGGGTHPWNDSFGASKPSIDDGLMEVVGLTTYQLPMLQAGMHGTCICQCRKARIITKRTIPMQVDGEACRVKPSVIEIELLNKALMLSKRKHGRGDVQVNPLEKMQLHILRVTMQQYEQYHYDKEMLRKLANKLGQIEIESQCDLEHVRNMLNTKFEESISYPKVSQDWCFIDSCTAEHYFRIDRAQEHLHYICDIAIDELYILDHEAATMPQTPDQERSFAAFSQRQAQNERRQMDQAQGRGPGSTDEDLQIGSKPIKVMKWKSPILEQTSDAILLAAQSGDLNMLRALHEQGYSLQSVNKNGQTALHFACKYNHRDIVKYIIASATRRLINMADKELGQTALHIAAEQNRRDICVMLVAAGAHLDTLDSGGNTPMMVAFNKNANEIATYLESQERFMHLEKQTRI
					

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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	32.3	Very low	38.6	Very low	181 Å²	181	118.9 Å²	118.9	89%	0.892	64%	0.641	S	S	*	*				0	143.2	0	-76	-176.4	-79.3	0	0	107.9
2	F	37.9	Very low	38.8	Very low	105 Å²	105	114.6 Å²	114.6	46%	0.461	62%	0.624	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.9	142.8	178.8	-58.1	-76	0	0	0	109.9	C25	F2-C25 PolarHBondContact O-SG 3.11Å
3	S	36.1	Very low	39.3	Very low	112 Å²	112	113.6 Å²	113.6	78%	0.783	63%	0.627	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.9	134.8	174.7	-175.1	0	0	0	0	109.7
4	A	37.7	Very low	39.9	Very low	23 Å²	23	118 Å²	118	19%	0.19	64%	0.64	C	S	.	*			trans	-115.7	93.3	-177.4	0	0	0	0	0	110.9	I9 F27	A4-I9 HydrophobicContact CB-CG1 4.27Å; A4-F27 HydrophobicContact CB-CE2 3.8Å; A4-F27 HydrophobicContact CB-CZ 4.05Å
5	T	36.6	Very low	39.9	Very low	117 Å²	117	121.5 Å²	121.5	72%	0.718	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-81.9	139.4	162.5	42.7	0	0	0	0	109.9	G7	T5-G7 VanDerWaalsContact C-N 3.27Å; T5-G7 PolarHBondContact O-N 2.72Å
6	N	36	Very low	40.2	Very low	164 Å²	164	118.5 Å²	118.5	88%	0.877	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	53.7	33.8	179.3	-61.1	-8.7	0	0	0	115.7	K8	N6-K8 VanDerWaalsContact C-N 3.28Å; N6-K8 PolarHBondContact O-N 3.17Å; N6-K8 VanDerWaalsContact O-N 3.14Å
7	G	41.6	Very low	40.3	Very low	59 Å²	59	118.3 Å²	118.3	61%	0.608	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	70.3	10.8	161.6	0	0	0	0	0	117	T5	T5-G7 VanDerWaalsContact C-N 3.27Å; T5-G7 PolarHBondContact O-N 2.72Å
8	K	36.3	Very low	40.1	Very low	182 Å²	182	120.9 Å²	120.9	79%	0.791	67%	0.669	S	S	*	*			trans	-113.9	121.6	176.3	-67.1	-176.9	179.5	-178.9	0	110.4	N6	N6-K8 VanDerWaalsContact C-N 3.28Å; N6-K8 PolarHBondContact O-N 3.17Å; N6-K8 VanDerWaalsContact O-N 3.14Å
9	I	42.7	Very low	40.5	Very low	72 Å²	72	121 Å²	121	37%	0.369	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-94.3	131.5	173.9	-59.5	175.6	0	0	0	108.1	A4 L11 I43	A4-I9 HydrophobicContact CB-CG1 4.27Å; I9-L11 HydrophobicContact CG2-CD2 4.29Å; I9-I43 HydrophobicContact CD1-CD1 4.5Å
10	K	41.9	Very low	40.6	Very low	193 Å²	193	121.8 Å²	121.8	84%	0.839	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-101.6	120.3	173.7	-139	-177.9	-175.5	-172.4	0	108.4
11	L	45.7	Very low	40.6	Very low	100 Å²	100	121 Å²	121	52%	0.524	68%	0.684	S	S	.	*	P	Polyproline II helix	trans	-92.1	155	177	-66.2	176.5	0	0	0	110.9	I9 F36	I9-L11 HydrophobicContact CG2-CD2 4.29Å; L11-F36 HydrophobicContact CD1-CE2 4.11Å; L11-F36 HydrophobicContact CD1-CZ 4.23Å
12	P	40.7	Very low	41.1	Very low	67 Å²	67	116.7 Å²	116.7	44%	0.435	67%	0.669	S	S	.	*	P	Polyproline II helix	trans	-73.8	170.1	172.5	33.1	-36.3	0	0	0	112.1
13	P	45.9	Very low	41.3	Very low	102 Å²	102	116.2 Å²	116.2	66%	0.662	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-59.7	160.2	172.8	-22.7	35	0	0	0	113.7	D15 A16	P13-D15 PolarHBondContact O-N 3.35Å; P13-A16 PolarHBondContact O-N 3.48Å
14	E	46.8	Very low	41.5	Very low	175 Å²	175	117.5 Å²	117.5	82%	0.818	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-68.2	-30.1	-162	-58.5	-171.5	126.7	0	0	114.4	A16	E14-A16 PolarHBondContact O-N 2.57Å
15	D	41	Very low	41.7	Very low	171 Å²	171	117.2 Å²	117.2	91%	0.914	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-68.3	-2.3	-176.9	-53.4	-56.7	0	0	0	114.9	P13	P13-D15 PolarHBondContact O-N 3.35Å
16	A	44.2	Very low	41.7	Very low	73 Å²	73	116 Å²	116	60%	0.603	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-105	4.9	-167.9	0	0	0	0	0	115.7	P13 E14	P13-A16 PolarHBondContact O-N 3.48Å; E14-A16 PolarHBondContact O-N 2.57Å
17	V	42.3	Very low	41.8	Very low	115 Å²	115	113.9 Å²	113.9	70%	0.697	63%	0.627	S	S	*	*			trans	-115.8	89.5	-173.9	-171.5	0	0	0	0	112.7
18	L	37	Very low	41.7	Very low	166 Å²	166	119.8 Å²	119.8	87%	0.869	65%	0.645	S	S	*	*			trans	-66.9	147.9	165.5	-84.3	165.1	0	0	0	111.8
19	V	46.3	Very low	42.3	Very low	122 Å²	122	112.9 Å²	112.9	74%	0.739	63%	0.626	S	S	*	*	S	Bend	trans	-71.5	157.1	-168.5	-161	0	0	0	0	112.5
20	T	43	Very low	42.1	Very low	137 Å²	137	114.9 Å²	114.9	84%	0.84	64%	0.643	S	S	*	*	S	Bend	trans	87.2	5.9	163.7	73.4	0	0	0	0	121.5
21	S	40	Very low	42	Very low	106 Å²	106	111.6 Å²	111.6	74%	0.741	63%	0.629	S	S	*	*			trans	-109.9	132.5	176.7	-68.4	0	0	0	0	114.4
22	P	43.8	Very low	42.3	Very low	89 Å²	89	115.6 Å²	115.6	58%	0.578	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-76.7	146	175.4	31.5	-34.5	0	0	0	112.6
23	L	42.1	Very low	42.5	Very low	95 Å²	95	115.4 Å²	115.4	50%	0.497	63%	0.633	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97	129.4	-178.2	-74.7	168.7	0	0	0	112.3	L34	L23-L34 PolarHBondContact O-N 2.94Å
24	R	41	Very low	42.5	Very low	139 Å²	139	112.7 Å²	112.7	53%	0.525	61%	0.612	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.7	129.2	173.4	-78.4	-178.6	172.7	178.1	-2.8	112.3	D33	R24-D33 WeakPolarHBondContact CD-OD1 3.24Å; R24-D33 WeakPolarHBondContact CG-OD1 3.04Å; R24-D33 IonicContact CZ-OD1 3.52Å; R24-D33 IonicContact CZ-OD2 3.78Å; R24-D33 IonicContact NE-OD1 2.71Å; R24-D33 PolarHBondContact NE-OD1 3.38Å; R24-D33 IonicContact NE-OD2 3.68Å; R24-D33 IonicContact NH2-OD1 3.44Å; R24-D33 PolarHBondContact NH2-OD1 2.88Å; R24-D33 IonicContact NH2-OD2 2.95Å; R24-D33 PolarHBondContact NH2-OD2 3.2Å
25	C	40.3	Very low	42.5	Very low	18 Å²	18	110.8 Å²	110.8	12%	0.122	60%	0.603	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.4	153.7	174.8	-168.1	0	0	0	0	110.6	F2 L34	F2-C25 PolarHBondContact O-SG 3.11Å; C25-L34 HydrophobicContact CB-CD1 4.38Å
26	L	36.5	Very low	42.5	Very low	90 Å²	90	106.2 Å²	106.2	47%	0.471	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.8	128.4	178	-99.2	159.5	0	0	0	109.4	G29 F31	L26-G29 WeakPolarHBondContact CD2-O 3.44Å; L26-F31 HydrophobicContact CD1-CE1 3.94Å; L26-F31 HydrophobicContact CD1-CZ 4.18Å; L26-F31 HydrophobicContact CD2-CE1 4.48Å; L26-F31 HydrophobicContact CG-CD1 4.22Å; L26-F31 HydrophobicContact CG-CE1 3.91Å; L26-F31 HydrophobicContact CG-CZ 4.43Å
27	F	38.3	Very low	42.6	Very low	121 Å²	121	105.6 Å²	105.6	53%	0.531	56%	0.562	S	S	.	*			trans	-142.3	95.4	-179.2	-111.6	-87.6	0	0	0	109.2	A4 G29	A4-F27 HydrophobicContact CB-CE2 3.8Å; A4-F27 HydrophobicContact CB-CZ 4.05Å; F27-G29 PolarHBondContact O-N 2.99Å
28	N	39.6	Very low	42.6	Very low	182 Å²	182	105.3 Å²	105.3	97%	0.973	56%	0.56	S	S	*	*	S	Bend	trans	34.9	47.1	173.6	-67.9	4.8	0	0	0	115.7
29	G	48.8	Very low	42.9	Very low	38 Å²	38	103.4 Å²	103.4	39%	0.392	56%	0.556	S	S	.	*	S	Bend	trans	160	-171	-170.1	0	0	0	0	0	112.6	L26 F27	L26-G29 WeakPolarHBondContact CD2-O 3.44Å; F27-G29 PolarHBondContact O-N 2.99Å
30	P	38.9	Very low	43	Very low	113 Å²	113	100.5 Å²	100.5	73%	0.734	54%	0.536	S	S	*	.	S	Bend	trans	-65.8	155.6	-177.3	27.8	-35.3	0	0	0	112.8
31	F	40.6	Very low	42.9	Very low	125 Å²	125	100.8 Å²	100.8	55%	0.548	53%	0.527	S	S	.	.			trans	-51	140.4	-179.5	-69.1	-82.2	0	0	0	113	L26	L26-F31 HydrophobicContact CD1-CE1 3.94Å; L26-F31 HydrophobicContact CD1-CZ 4.18Å; L26-F31 HydrophobicContact CD2-CE1 4.48Å; L26-F31 HydrophobicContact CG-CD1 4.22Å; L26-F31 HydrophobicContact CG-CE1 3.91Å; L26-F31 HydrophobicContact CG-CZ 4.43Å
32	R	50.8	Low	43.2	Very low	183 Å²	183	103.4 Å²	103.4	69%	0.691	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.8	168.1	-61.9	-173	-178.4	-155.5	-0.9	109.5
33	D	45.1	Very low	43	Very low	63 Å²	63	103.6 Å²	103.6	34%	0.337	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	137.2	170.2	-69.9	-45.5	0	0	0	109.1	R24 V46	R24-D33 WeakPolarHBondContact CD-OD1 3.24Å; R24-D33 WeakPolarHBondContact CG-OD1 3.04Å; R24-D33 IonicContact CZ-OD1 3.52Å; R24-D33 IonicContact CZ-OD2 3.78Å; R24-D33 IonicContact NE-OD1 2.71Å; R24-D33 PolarHBondContact NE-OD1 3.38Å; R24-D33 IonicContact NE-OD2 3.68Å; R24-D33 IonicContact NH2-OD1 3.44Å; R24-D33 PolarHBondContact NH2-OD1 2.88Å; R24-D33 IonicContact NH2-OD2 2.95Å; R24-D33 PolarHBondContact NH2-OD2 3.2Å; D33-V46 WeakPolarHBondContact O-CG2 3.5Å
34	L	46.3	Very low	43.2	Very low	46 Å²	46	103.5 Å²	103.5	24%	0.241	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	142.1	-178.8	-67.1	173.5	0	0	0	110.8	L23 C25 I43	L23-L34 PolarHBondContact O-N 2.94Å; C25-L34 HydrophobicContact CB-CD1 4.38Å; L34-I43 HydrophobicContact CB-CG2 4.4Å; L34-I43 HydrophobicContact CD1-CG2 4.1Å; L34-I43 HydrophobicContact CD2-CG2 4.03Å; L34-I43 HydrophobicContact CG-CG2 4.41Å
35	H	46.4	Very low	43	Very low	135 Å²	135	100.6 Å²	100.6	63%	0.625	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.4	171	-139.2	61.9	0	0	0	109.8	I44 V46	H35-I44 PolarHBondContact N-O 3.36Å; H35-I44 PolarHBondContact O-N 3.39Å; H35-I44 VanDerWaalsContact O-N 3.16Å; H35-V46 HydrophobicContact CB-CG2 4.41Å
36	F	41	Very low	42.9	Very low	74 Å²	74	103.2 Å²	103.2	33%	0.325	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.3	-178.3	-170.9	-88.2	0	0	0	108.6	L11 V38 H41 I43	L11-F36 HydrophobicContact CD1-CE2 4.11Å; L11-F36 HydrophobicContact CD1-CZ 4.23Å; F36-V38 HydrophobicContact CD1-CG2 4.32Å; F36-H41 HydrophobicContact CZ-CB 4.48Å; F36-I43 HydrophobicContact CD2-CG1 3.87Å; F36-I43 HydrophobicContact CE2-CG1 4.15Å
37	N	46.8	Very low	42.8	Very low	60 Å²	60	107.4 Å²	107.4	32%	0.321	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	116.4	175	-178.7	31.1	0	0	0	110.1	T39 D40 H41 R42	N37-T39 VanDerWaalsContact C-N 3.26Å; N37-T39 PolarHBondContact ND2-OG1 2.85Å; N37-T39 PolarHBondContact O-N 3.36Å; N37-T39 PolarHBondContact OD1-N 3.29Å; N37-T39 PolarHBondContact OD1-OG1 3.46Å; N37-T39 VanDerWaalsContact OD1-OG1 3.06Å; N37-D40 WeakPolarHBondContact CB-OD1 3.4Å; N37-D40 PolarHBondContact ND2-OD1 3.44Å; N37-H41 WeakPolarHBondContact O-CA 3.44Å; N37-H41 PolarHBondContact O-N 3.36Å; N37-H41 VanDerWaalsContact O-N 3.12Å; N37-R42 PolarHBondContact N-O 3.31Å; N37-R42 VanDerWaalsContact N-O 3.07Å
38	V	42.1	Very low	42.3	Very low	110 Å²	110	108.7 Å²	108.7	67%	0.667	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-22.5	-177.4	-172.5	0	0	0	0	111.8	F36	F36-V38 HydrophobicContact CD1-CG2 4.32Å
39	T	42.9	Very low	41.5	Very low	126 Å²	126	104.8 Å²	104.8	77%	0.773	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-16.3	-175.3	60.7	0	0	0	0	115.5	N37	N37-T39 VanDerWaalsContact C-N 3.26Å; N37-T39 PolarHBondContact ND2-OG1 2.85Å; N37-T39 PolarHBondContact O-N 3.36Å; N37-T39 PolarHBondContact OD1-N 3.29Å; N37-T39 PolarHBondContact OD1-OG1 3.46Å; N37-T39 VanDerWaalsContact OD1-OG1 3.06Å
40	D	48.7	Very low	40.3	Very low	61 Å²	61	109 Å²	109	33%	0.326	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-133.7	8	176.2	82.8	-27.6	0	0	0	114.5	N37 R42	N37-D40 WeakPolarHBondContact CB-OD1 3.4Å; N37-D40 PolarHBondContact ND2-OD1 3.44Å; D40-R42 PolarHBondContact O-N 3.35Å; D40-R42 WeakPolarHBondContact OD1-CB 3.31Å; D40-R42 PolarHBondContact OD1-N 3.35Å; D40-R42 WeakPolarHBondContact OD2-CD 3.5Å; D40-R42 WeakPolarHBondContact OD2-CG 3.43Å; D40-R42 IonicContact OD2-CZ 2.67Å; D40-R42 IonicContact OD2-NE 3.57Å; D40-R42 IonicContact OD2-NH1 2.65Å; D40-R42 PolarHBondContact OD2-NH1 3.47Å
41	H	41	Very low	39.5	Very low	142 Å²	142	111.8 Å²	111.8	66%	0.657	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.9	28.6	-178.6	-55.3	-73.9	0	0	0	115.1	F36 N37	F36-H41 HydrophobicContact CZ-CB 4.48Å; N37-H41 WeakPolarHBondContact O-CA 3.44Å; N37-H41 PolarHBondContact O-N 3.36Å; N37-H41 VanDerWaalsContact O-N 3.12Å
42	R	46.6	Very low	38.7	Very low	162 Å²	162	113.2 Å²	113.2	61%	0.611	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.7	147.1	178.4	-63.9	-168.5	-178.3	133.4	-10.9	113.6	N37 D40	N37-R42 PolarHBondContact N-O 3.31Å; N37-R42 VanDerWaalsContact N-O 3.07Å; D40-R42 PolarHBondContact O-N 3.35Å; D40-R42 WeakPolarHBondContact OD1-CB 3.31Å; D40-R42 PolarHBondContact OD1-N 3.35Å; D40-R42 WeakPolarHBondContact OD2-CD 3.5Å; D40-R42 WeakPolarHBondContact OD2-CG 3.43Å; D40-R42 IonicContact OD2-CZ 2.67Å; D40-R42 IonicContact OD2-NE 3.57Å; D40-R42 IonicContact OD2-NH1 2.65Å; D40-R42 PolarHBondContact OD2-NH1 3.47Å
43	I	39.4	Very low	37.5	Very low	92 Å²	92	111.5 Å²	111.5	47%	0.472	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.4	126.6	172.9	-61	172.5	0	0	0	108	I9 L34 F36	I9-I43 HydrophobicContact CD1-CD1 4.5Å; L34-I43 HydrophobicContact CB-CG2 4.4Å; L34-I43 HydrophobicContact CD1-CG2 4.1Å; L34-I43 HydrophobicContact CD2-CG2 4.03Å; L34-I43 HydrophobicContact CG-CG2 4.41Å; F36-I43 HydrophobicContact CD2-CG1 3.87Å; F36-I43 HydrophobicContact CE2-CG1 4.15Å
44	I	45.4	Very low	36.7	Very low	93 Å²	93	115.7 Å²	115.7	48%	0.477	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.6	129.4	-178.9	-53.3	178.9	0	0	0	109.7	H35	H35-I44 PolarHBondContact N-O 3.36Å; H35-I44 PolarHBondContact O-N 3.39Å; H35-I44 VanDerWaalsContact O-N 3.16Å
45	P	38.3	Very low	35.8	Very low	78 Å²	78	122.1 Å²	122.1	51%	0.506	63%	0.626	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.9	136.8	173.4	30.8	-33.6	0	0	0	111	H47	P45-H47 PolarHBondContact O-N 3.42Å
46	V	38	Very low	34.9	Very low	74 Å²	74	123.8 Å²	123.8	45%	0.448	63%	0.634	S	S	.	*	S	Bend	trans	-74.4	8.5	-165.8	-178.5	0	0	0	0	114.5	D33 H35	D33-V46 WeakPolarHBondContact O-CG2 3.5Å; H35-V46 HydrophobicContact CB-CG2 4.41Å
47	H	33	Very low	34.1	Very low	177 Å²	177	131.7 Å²	131.7	82%	0.819	66%	0.662	S	S	*	*	S	Bend	trans	-128.2	48.1	-178	-69.1	-24.3	0	0	0	113.8	P45	P45-H47 PolarHBondContact O-N 3.42Å
48	D	28.5	Very low	33.2	Very low	148 Å²	148	136.8 Å²	136.8	79%	0.791	69%	0.689	S	S	*	*			trans	-154.8	71.4	154.5	-102.5	-37.7	0	0	0	110.2
49	V	23.6	Very low	32.3	Very low	100 Å²	100	138.3 Å²	138.3	61%	0.606	70%	0.698	S	S	*	*			trans	-105	83.5	177.9	-174	0	0	0	0	110.2	F51	V49-F51 HydrophobicContact CG1-CD2 4.33Å; V49-F51 HydrophobicContact CG1-CE2 4.06Å; V49-F51 HydrophobicContact CG1-CZ 4.35Å
50	V	22.6	Very low	31.4	Very low	126 Å²	126	141.3 Å²	141.3	76%	0.764	70%	0.7	S	S	*	*			trans	-93.3	118	159.3	177.8	0	0	0	0	107.4	L52	V50-L52 PolarHBondContact O-N 3.45Å; V50-L52 VanDerWaalsContact O-N 3.1Å
51	F	22.3	Very low	30.3	Very low	173 Å²	173	144 Å²	144	76%	0.759	72%	0.721	S	S	*	*			trans	-63.8	111.4	-177.7	-76.2	-95.8	0	0	0	111.8	V49	V49-F51 HydrophobicContact CG1-CD2 4.33Å; V49-F51 HydrophobicContact CG1-CE2 4.06Å; V49-F51 HydrophobicContact CG1-CZ 4.35Å
52	L	23.1	Very low	29.4	Very low	155 Å²	155	145.7 Å²	145.7	81%	0.812	73%	0.734	S	S	*	*			trans	-111.6	102.7	157.7	-77.4	171.3	0	0	0	107.6	V50 D54	V50-L52 PolarHBondContact O-N 3.45Å; V50-L52 VanDerWaalsContact O-N 3.1Å; L52-D54 PolarHBondContact O-N 3.02Å; L52-D54 VanDerWaalsContact O-N 3.11Å
53	D	27.1	Very low	28.3	Very low	147 Å²	147	144.6 Å²	144.6	79%	0.786	74%	0.739	S	S	*	*			trans	-76.7	88.4	167	-67.8	-29.9	0	0	0	108.5
54	D	27.8	Very low	27.5	Very low	150 Å²	150	150.5 Å²	150.5	80%	0.802	76%	0.757	S	S	*	*			trans	-84.8	137.9	162.2	-105.4	-28	0	0	0	109.2	L52	L52-D54 PolarHBondContact O-N 3.02Å; L52-D54 VanDerWaalsContact O-N 3.11Å
55	F	26.8	Very low	26.4	Very low	181 Å²	181	155.9 Å²	155.9	79%	0.794	77%	0.771	S	S	*	*			trans	-136.7	131.9	167.7	-123.9	-95.8	0	0	0	111.2
56	E	27	Very low	25.7	Very low	170 Å²	170	157.7 Å²	157.7	79%	0.794	78%	0.783	S	S	*	*			trans	57	105.5	166.4	-74.6	167.5	-153.7	0	0	119.7
57	R	25.1	Very low	25	Very low	241 Å²	241	160.5 Å²	160.5	91%	0.909	80%	0.8	S	S	*	*			trans	-103.4	109.8	141.2	-72.2	-175.9	179.8	-172.7	0.6	109.3
58	N	26.8	Very low	24.6	Very low	166 Å²	166	158.1 Å²	158.1	89%	0.888	80%	0.798	S	S	*	*			trans	-162.1	68.1	152.1	-110.4	-21.7	0	0	0	113.2
59	V	24.3	Very low	24.5	Very low	142 Å²	142	155.8 Å²	155.8	86%	0.861	79%	0.793	S	S	*	*			trans	-131.2	127.1	163.1	-176	0	0	0	0	108.3
60	K	24.4	Very low	24.6	Very low	190 Å²	190	159.9 Å²	159.9	83%	0.826	81%	0.806	S	S	*	*			trans	-68.9	147	178.6	-68.6	179.2	179.2	177.1	0	110.6	L62	K60-L62 PolarHBondContact O-N 3.22Å
61	P	24.7	Very low	24.9	Very low	117 Å²	117	160.5 Å²	160.5	76%	0.76	81%	0.81	S	S	*	*			trans	-68.3	117.5	-179.1	27.5	-34.3	0	0	0	111.7	I63	P61-I63 PolarHBondContact O-N 3.27Å; P61-I63 VanDerWaalsContact O-N 3.16Å
62	L	21.9	Very low	25	Very low	177 Å²	177	156.8 Å²	156.8	93%	0.927	81%	0.811	S	S	*	*			trans	-76.2	96	168.4	-80	168	0	0	0	109.8	K60 Y64	K60-L62 PolarHBondContact O-N 3.22Å; L62-Y64 PolarHBondContact O-N 2.99Å
63	I	24.6	Very low	25.2	Very low	139 Å²	139	153.7 Å²	153.7	71%	0.713	81%	0.807	S	S	*	*			trans	-79	106.4	171	-60	174.9	0	0	0	108.5	P61 R65	P61-I63 PolarHBondContact O-N 3.27Å; P61-I63 VanDerWaalsContact O-N 3.16Å; I63-R65 HydrophobicContact CG2-CG 4.3Å; I63-R65 PolarHBondContact O-N 3.42Å
64	Y	21.2	Very low	25.1	Very low	217 Å²	217	152.4 Å²	152.4	85%	0.851	81%	0.81	S	S	*	*			trans	-87.5	103.2	171.2	-148	-92.6	0	0	0	109.7	L62	L62-Y64 PolarHBondContact O-N 2.99Å
65	R	23.7	Very low	25.1	Very low	206 Å²	206	149.3 Å²	149.3	78%	0.777	81%	0.805	S	S	*	*			trans	-97.5	154.7	163.4	-83	-175.4	173.6	179.4	-1.7	109.6	I63	I63-R65 HydrophobicContact CG2-CG 4.3Å; I63-R65 PolarHBondContact O-N 3.42Å
66	P	22.9	Very low	25	Very low	115 Å²	115	147.9 Å²	147.9	75%	0.747	81%	0.806	S	S	*	*			trans	-62.8	140.6	-178.2	-20	32.6	0	0	0	112	T68	P66-T68 PolarHBondContact O-N 3.3Å; P66-T68 VanDerWaalsContact O-N 3.14Å
67	V	23.9	Very low	25.1	Very low	134 Å²	134	145.8 Å²	145.8	81%	0.812	81%	0.805	S	S	*	*			trans	-79.2	95.6	172.7	-179.3	0	0	0	0	109.3
68	T	24.7	Very low	25.1	Very low	126 Å²	126	141 Å²	141	77%	0.773	80%	0.797	S	S	*	*			trans	-81.6	143.8	149.9	48.9	0	0	0	0	108.8	P66	P66-T68 PolarHBondContact O-N 3.3Å; P66-T68 VanDerWaalsContact O-N 3.14Å
69	S	26.8	Very low	25.1	Very low	100 Å²	100	141 Å²	141	70%	0.699	79%	0.792	S	S	*	*			trans	-68.6	139	177.8	49.5	0	0	0	0	112.2
70	E	25.7	Very low	25.2	Very low	185 Å²	185	143.4 Å²	143.4	86%	0.864	79%	0.794	S	S	*	*				-171.7	178.1	115.7	-103.6	171.7	-166.8	0	0	114.7
71	V	27.7	Very low	25.2	Very low	140 Å²	140	138.6 Å²	138.6	85%	0.848	79%	0.789	S	S	*	*			trans	-57.9	156.7	-162.8	-178.2	0	0	0	0	116.1
72	A	25.4	Very low	25.1	Very low	95 Å²	95	139.4 Å²	139.4	79%	0.785	79%	0.792	S	S	*	*			trans	-108.4	157.7	177.2	0	0	0	0	0	113.9
73	A	26.3	Very low	26.1	Very low	89 Å²	89	136.7 Å²	136.7	74%	0.736	79%	0.785	S	S	*	*			trans	-164.4	140.2	162.8	0	0	0	0	0	113.5
74	S	26.3	Very low	26	Very low	120 Å²	120	133.1 Å²	133.1	84%	0.839	78%	0.777	S	S	*	*			trans	53.1	153.2	151.5	52.3	0	0	0	0	120.8
75	A	26.6	Very low	26.3	Very low	85 Å²	85	131.3 Å²	131.3	70%	0.702	78%	0.776	S	S	*	*			cis	-157	140.2	-7.4	0	0	0	0	0	106.8
76	N	25.8	Very low	26.3	Very low	151 Å²	151	129.7 Å²	129.7	81%	0.807	78%	0.777	S	S	*	*				65.9	144.9	82.4	-85.2	47.4	0	0	0	116.3
77	V	27.7	Very low	26.4	Very low	127 Å²	127	131.4 Å²	131.4	77%	0.77	78%	0.775	S	S	*	*			trans	80.4	136.7	174.2	-169.1	0	0	0	0	115.2
78	D	25.8	Very low	26.4	Very low	141 Å²	141	133.8 Å²	133.8	75%	0.754	78%	0.777	S	S	*	*				-150.8	-120.7	-87	-90.4	-71	0	0	0	108.4
79	E	27.4	Very low	26.4	Very low	166 Å²	166	138.3 Å²	138.3	78%	0.776	78%	0.78	S	S	*	*			cis	-169.2	130.1	-2.1	-167.9	159.4	-114.5	0	0	110
80	E	25.1	Very low	26.2	Very low	192 Å²	192	138.3 Å²	138.3	90%	0.897	78%	0.78	S	S	*	*			trans	56.5	161.4	168.8	-62.2	-167.6	152.7	0	0	121.2
81	A	24.8	Very low	26.1	Very low	89 Å²	89	138.4 Å²	138.4	74%	0.736	78%	0.778	S	S	*	*			cis	-145	162.6	10.2	0	0	0	0	0	114.9
82	T	23.3	Very low	25.8	Very low	133 Å²	133	138.4 Å²	138.4	82%	0.816	77%	0.772	S	S	*	*			trans	-115.1	-175.8	164.9	51.1	0	0	0	0	108.9
83	P	41.8	Very low	25.8	Very low	120 Å²	120	139.7 Å²	139.7	78%	0.779	77%	0.772	S	S	*	*			cis	-126.4	-155.4	6	35.5	-9.9	0	0	0	111.4
84	A	24.1	Very low	25.8	Very low	65 Å²	65	143.2 Å²	143.2	54%	0.537	78%	0.777	S	S	.	*			cis	-160	164.1	14.5	0	0	0	0	0	114.3
85	E	26.4	Very low	25.8	Very low	178 Å²	178	143.1 Å²	143.1	83%	0.832	78%	0.777	S	S	*	*			trans	59	150.4	143.4	-72	141.1	-149.1	0	0	120.4
86	E	24.8	Very low	25.7	Very low	173 Å²	173	143.5 Å²	143.5	81%	0.808	77%	0.774	S	S	*	*			cis	-143.7	-169.7	8.1	-141.8	175.1	-170.3	0	0	113.3
87	E	24.2	Very low	25.7	Very low	150 Å²	150	143 Å²	143	70%	0.701	77%	0.771	S	S	*	*			trans	-50.3	159.9	-171.9	-70.7	-156.1	133.7	0	0	117.3
88	Q	24.3	Very low	25.5	Very low	184 Å²	184	142.7 Å²	142.7	86%	0.86	77%	0.77	S	S	*	*				-151.3	151.9	53.4	-72.5	174.9	-11.3	0	0	116.7
89	R	23.8	Very low	26	Very low	221 Å²	221	148.3 Å²	148.3	83%	0.834	78%	0.78	S	S	*	*			trans	-76.8	153.2	165.5	-62.2	167.2	165.1	154.7	-6.1	109
90	S	23	Very low	25.9	Very low	101 Å²	101	145 Å²	145	71%	0.706	77%	0.772	S	S	*	*				179.6	-171.6	55.8	62.7	0	0	0	0	108.9
91	F	22.7	Very low	26.2	Very low	187 Å²	187	141.7 Å²	141.7	82%	0.82	78%	0.777	S	S	*	*			cis	-153.5	155.8	0.6	-134.6	-57.1	0	0	0	107.9
92	I	22.7	Very low	26.6	Very low	139 Å²	139	141.4 Å²	141.4	71%	0.713	77%	0.77	S	S	*	*			trans	-134.1	130.4	164.5	-59.6	177.5	0	0	0	108.3
93	P	25.1	Very low	27.2	Very low	123 Å²	123	139.7 Å²	139.7	80%	0.799	77%	0.769	S	S	*	*			trans	-75.9	132.8	173.4	30.7	-33.1	0	0	0	111
94	I	26.9	Very low	27.5	Very low	163 Å²	163	136.5 Å²	136.5	84%	0.836	75%	0.749	S	S	*	*			trans	-101.9	133.3	169.6	-62	171.5	0	0	0	108
95	S	25	Very low	29	Very low	118 Å²	118	136 Å²	136	83%	0.825	74%	0.738	S	S	*	*			trans	-131.7	150.9	159.1	58.4	0	0	0	0	109.5
96	S	25.4	Very low	30.4	Very low	93 Å²	93	128.8 Å²	128.8	65%	0.65	71%	0.707	S	S	*	*			trans	-97.7	167.5	-170.7	68.3	0	0	0	0	113.1
97	D	25.2	Very low	32.2	Very low	140 Å²	140	131.4 Å²	131.4	75%	0.749	71%	0.71	S	S	*	*			trans	53.7	108.8	160.9	-49.4	-55.2	0	0	0	116.9
98	T	23.6	Very low	34.4	Very low	121 Å²	121	127.8 Å²	127.8	74%	0.742	69%	0.69	S	S	*	*				-159.9	143.6	71.9	-62.5	0	0	0	0	110.9	T100	T98-T100 PolarHBondContact O-N 2.68Å
99	R	36	Very low	37	Very low	258 Å²	258	123 Å²	123	97%	0.974	67%	0.674	S	S	*	*			trans	-78.4	83	176.9	-71.9	-175.2	178.5	174.2	0.8	112.8
100	T	26.1	Very low	40	Very low	98 Å²	98	115.7 Å²	115.7	60%	0.601	65%	0.651	S	S	*	*			trans	-92.8	147.9	160.8	51.9	0	0	0	0	111.2	T98 S102	T98-T100 PolarHBondContact O-N 2.68Å; T100-S102 PolarHBondContact O-N 2.81Å; T100-S102 PolarHBondContact OG1-OG 3.17Å
101	A	31.3	Very low	43.1	Very low	121 Å²	121	116.3 Å²	116.3	100%	1	64%	0.638	S	S	*	*	S	Bend	trans	-78.9	49.8	-178.1	0	0	0	0	0	112.9
102	S	33.9	Very low	46.3	Very low	84 Å²	84	109.1 Å²	109.1	59%	0.587	61%	0.607	S	S	*	*			trans	-128.6	34.5	-170	58.6	0	0	0	0	113.1	T100 S104	T100-S102 PolarHBondContact O-N 2.81Å; T100-S102 PolarHBondContact OG1-OG 3.17Å; S102-S104 PolarHBondContact O-N 3.34Å
103	A	35	Very low	49.6	Very low	96 Å²	96	103.9 Å²	103.9	79%	0.793	58%	0.582	S	S	*	*			trans	-59.7	123.3	167.5	0	0	0	0	0	109.3
104	S	47.7	Very low	52.8	Low	53 Å²	53	98.5 Å²	98.5	37%	0.371	55%	0.547	S	S	.	.			trans	-68.7	142.5	-155.9	67.5	0	0	0	0	114.7	S102 S106 R107	S102-S104 PolarHBondContact O-N 3.34Å; S104-S106 VanDerWaalsContact CB-OG 3.23Å; S104-S106 WeakPolarHBondContact CB-OG 3.41Å; S104-S106 PolarHBondContact O-N 2.99Å; S104-S106 PolarHBondContact OG-OG 3.37Å; S104-R107 PolarHBondContact O-N 3Å; S104-R107 VanDerWaalsContact O-N 3.13Å
105	N	55.9	Low	55.8	Low	56 Å²	56	91.5 Å²	91.5	30%	0.299	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-61.6	-14.2	174.7	-74.1	-25.3	0	0	0	113.3	R107 R108 N168	N105-R107 VanDerWaalsContact C-N 3.31Å; N105-R107 PolarHBondContact O-N 3.05Å; N105-R108 PolarHBondContact OD1-NE 3.1Å; N105-N168 HydrophobicContact CB-CB 4.01Å; N105-N168 PolarHBondContact O-ND2 2.92Å
106	S	55	Low	58.9	Low	26 Å²	26	87.8 Å²	87.8	18%	0.182	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-69.4	-19.1	174.5	33.7	0	0	0	0	114.7	S104 E169	S104-S106 VanDerWaalsContact CB-OG 3.23Å; S104-S106 WeakPolarHBondContact CB-OG 3.41Å; S104-S106 PolarHBondContact O-N 2.99Å; S104-S106 PolarHBondContact OG-OG 3.37Å; S106-E169 WeakPolarHBondContact CB-OE1 3.27Å; S106-E169 PolarHBondContact OG-OE1 2.78Å
107	R	63.1	Low	61.9	Low	228 Å²	228	86.5 Å²	86.5	86%	0.86	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-103.4	8.5	177.7	-64	-169	-178.8	-162	1.3	114.7	S104 N105	S104-R107 PolarHBondContact O-N 3Å; S104-R107 VanDerWaalsContact O-N 3.13Å; N105-R107 VanDerWaalsContact C-N 3.31Å; N105-R107 PolarHBondContact O-N 3.05Å
108	R	70.6	Confident	64.7	Low	74 Å²	74	85 Å²	85	28%	0.279	46%	0.456	S	S	.	.	S	Bend	trans	-72.5	140.3	179.8	-74.9	179.9	168.6	-103.4	-13.9	111.8	N105 N119 V121 E124	N105-R108 PolarHBondContact OD1-NE 3.1Å; R108-N119 VanDerWaalsContact CZ-O 3.25Å; R108-N119 PolarHBondContact NH1-O 3.28Å; R108-N119 PolarHBondContact NH2-O 3.2Å; R108-V121 VanDerWaalsContact NH2-CG2 3.27Å; R108-E124 IonicContact NH1-OE1 3.48Å
109	P	80.1	Confident	67.7	Low	83 Å²	83	83.7 Å²	83.7	54%	0.539	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-64.3	140	174.7	28	-34.8	0	0	0	110.6	R111	P109-R111 PolarHBondContact O-N 3.37Å
110	I	85.2	Confident	70.2	Confident	67 Å²	67	71.5 Å²	71.5	34%	0.344	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-71	127.2	-179.4	-61.4	174.4	0	0	0	109.5	W127 M150 H161 I164	I110-W127 HydrophobicContact CG2-CB 3.66Å; I110-W127 HydrophobicContact CG2-CG 4.2Å; I110-M150 HydrophobicContact CG2-CE 4.14Å; I110-H161 VanDerWaalsContact CD1-CD2 3.42Å; I110-H161 WeakPolarHBondContact CD1-CD2 3.48Å; I110-H161 WeakPolarHBondContact CD1-NE2 3.38Å; I110-I164 HydrophobicContact CD1-CD1 3.76Å; I110-I164 HydrophobicContact CG1-CD1 4.35Å
111	R	88.7	Confident	73.1	Confident	115 Å²	115	68.4 Å²	68.4	43%	0.434	38%	0.38	S	S	.	.			trans	-128.1	148.8	-178.2	-62.9	177.2	-172	-89.3	3.3	111.5	P109 Y126 W127	P109-R111 PolarHBondContact O-N 3.37Å; R111-Y126 CarbonylContact O-C 3.55Å; R111-Y126 VanDerWaalsContact O-CA 3.32Å; R111-Y126 WeakPolarHBondContact O-CA 3.41Å; R111-W127 PolarHBondContact O-N 3.28Å
112	I	89.7	Confident	75.9	Confident	35 Å²	35	67 Å²	67	18%	0.179	35%	0.353	C	S	.	.	S	Bend	trans	-102.2	-14.2	170.5	-162.6	176.7	0	0	0	112.7	W127 K128 L364 Q368	I112-W127 WeakPolarHBondContact CB-O 3.23Å; I112-K128 HydrophobicContact CD1-CB 3.7Å; I112-K128 HydrophobicContact CD1-CD 4.43Å; I112-K128 HydrophobicContact CG1-CB 4.3Å; I112-L364 HydrophobicContact CD1-CD2 4.2Å; I112-L364 HydrophobicContact CG1-CD2 4.41Å; I112-L364 HydrophobicContact CG2-CD2 4.24Å; I112-Q368 PolarHBondContact O-NE2 2.86Å; I112-Q368 PolarHBondContact O-OE1 2.91Å
113	V	91.6	Very high	78.5	Confident	29 Å²	29	63.6 Å²	63.6	18%	0.176	33%	0.331	C	S	.	.	S	Bend	trans	-112.5	150.8	178.1	-67.5	0	0	0	0	110.9	L364 D378	V113-L364 HydrophobicContact CG1-CD2 4.36Å; V113-D378 HydrophobicContact CG1-CB 3.96Å
114	P	92.3	Very high	81.2	Confident	11 Å²	11	60.2 Å²	60.2	7%	0.071	30%	0.298	C	S	.	.			trans	-64.8	139.1	177.3	-20.4	32.8	0	0	0	113.5	Y126 P373 R374	P114-Y126 HydrophobicContact CB-CE1 4.16Å; P114-Y126 HydrophobicContact CG-CE1 4.27Å; P114-P373 HydrophobicContact CG-CB 3.97Å; P114-R374 HydrophobicContact CB-CG 3.96Å; P114-R374 HydrophobicContact CG-CG 4.1Å
115	D	90.4	Very high	83.4	Confident	16 Å²	16	58 Å²	58	9%	0.086	28%	0.282	C	S	.	.			trans	-71	128.7	166.2	-172	-1	0	0	0	110.4	T117 A120 R374	D115-T117 WeakPolarHBondContact OD1-CB 3.45Å; D115-T117 WeakPolarHBondContact OD1-CG2 3.17Å; D115-T117 PolarHBondContact OD1-N 3.06Å; D115-T117 PolarHBondContact OD1-OG1 3.49Å; D115-T117 PolarHBondContact OD2-OG1 2.88Å; D115-A120 HydrophobicContact CB-CB 3.99Å; D115-A120 WeakPolarHBondContact O-CB 3.37Å; D115-A120 PolarHBondContact OD2-N 3.11Å; D115-R374 VanDerWaalsContact O-CZ 3.24Å; D115-R374 PolarHBondContact O-NH1 3.24Å; D115-R374 PolarHBondContact O-NH2 2.86Å
116	W	89.9	Confident	85.3	Confident	39 Å²	39	55.4 Å²	55.4	15%	0.148	27%	0.268	C	S	.	.			trans	-110	8.1	176.9	-72	100.1	0	0	0	112.9	I273 F334 R374 F377 M386 M390 F391	W116-I273 HydrophobicContact CZ3-CG2 4.23Å; W116-F334 HydrophobicContact CE3-CB 3.92Å; W116-F334 HydrophobicContact CE3-CD1 4.3Å; W116-F334 AromaticContact CE3-CD2 3.9Å; W116-F334 HydrophobicContact CE3-CD2 3.9Å; W116-F334 AromaticContact CE3-CG 3.79Å; W116-F334 HydrophobicContact CE3-CG 3.79Å; W116-F334 HydrophobicContact CZ3-CB 4.04Å; W116-F334 HydrophobicContact CZ3-CD1 4.29Å; W116-F334 HydrophobicContact CZ3-CG 4.09Å; W116-F334 WeakPolarHBondContact O-CD2 3.34Å; W116-R374 VanDerWaalsContact CD2-NH1 3.26Å; W116-R374 VanDerWaalsContact CE3-NH1 3.3Å; W116-R374 HydrophobicContact CH2-CB 3.73Å; W116-R374 HydrophobicContact CH2-CG 3.99Å; W116-R374 HydrophobicContact CZ2-CB 3.62Å; W116-R374 HydrophobicContact CZ2-CG 3.83Å; W116-R374 WeakPolarHBondContact CZ2-O 3.5Å; W116-F377 HydrophobicContact CZ2-CE1 4.13Å; W116-F377 HydrophobicContact CZ2-CZ 4.07Å; W116-M386 HydrophobicContact CB-CE 4.49Å; W116-M386 HydrophobicContact CB-SD 4.46Å; W116-M386 HydrophobicContact CD2-CE 4.49Å; W116-M386 HydrophobicContact CG-CE 3.95Å; W116-M386 HydrophobicContact CG-SD 4.46Å; W116-M390 HydrophobicContact CE3-CE 4.02Å; W116-M390 HydrophobicContact CH2-CG 4.15Å; W116-M390 HydrophobicContact CZ3-CE 4.04Å; W116-M390 HydrophobicContact CZ3-CG 4.07Å; W116-M390 HydrophobicContact CZ3-SD 4.17Å; W116-F391 HydrophobicContact CH2-CE2 4.09Å; W116-F391 HydrophobicContact CH2-CZ 4.44Å
117	T	88	Confident	87.1	Confident	66 Å²	66	54.6 Å²	54.6	41%	0.405	26%	0.261	S	S	.	.	S	Bend	trans	-89.2	170.6	173	74.1	0	0	0	0	111.6	D115 N119 A120	D115-T117 WeakPolarHBondContact OD1-CB 3.45Å; D115-T117 WeakPolarHBondContact OD1-CG2 3.17Å; D115-T117 PolarHBondContact OD1-N 3.06Å; D115-T117 PolarHBondContact OD1-OG1 3.49Å; D115-T117 PolarHBondContact OD2-OG1 2.88Å; T117-N119 PolarHBondContact O-N 2.87Å; T117-N119 VanDerWaalsContact O-N 3.09Å; T117-N119 WeakPolarHBondContact OG1-CB 3.26Å; T117-N119 PolarHBondContact OG1-N 2.94Å; T117-N119 PolarHBondContact OG1-ND2 3.33Å; T117-A120 WeakPolarHBondContact O-CB 3.32Å; T117-A120 PolarHBondContact O-N 3.16Å; T117-A120 VanDerWaalsContact O-N 3.11Å
118	E	83.8	Confident	88.4	Confident	109 Å²	109	45.6 Å²	45.6	51%	0.509	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-22.7	171.9	60.4	-171.3	180	0	0	114	A120 K275 T278 A333	E118-A120 PolarHBondContact O-N 3.36Å; E118-K275 WeakPolarHBondContact O-CE 3.45Å; E118-K275 PolarHBondContact O-NZ 2.89Å; E118-T278 HydrophobicContact CB-CG2 3.84Å; E118-T278 HydrophobicContact CG-CG2 4.42Å; E118-T278 WeakPolarHBondContact OE2-CG2 3.47Å; E118-A333 HydrophobicContact CB-CB 4.41Å
119	N	86.8	Confident	89.3	Confident	94 Å²	94	45.8 Å²	45.8	50%	0.503	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-9	178.9	-59.2	-77.8	0	0	0	113.9	R108 T117	R108-N119 VanDerWaalsContact CZ-O 3.25Å; R108-N119 PolarHBondContact NH1-O 3.28Å; R108-N119 PolarHBondContact NH2-O 3.2Å; T117-N119 PolarHBondContact O-N 2.87Å; T117-N119 VanDerWaalsContact O-N 3.09Å; T117-N119 WeakPolarHBondContact OG1-CB 3.26Å; T117-N119 PolarHBondContact OG1-N 2.94Å; T117-N119 PolarHBondContact OG1-ND2 3.33Å
120	A	89.3	Confident	89.6	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.008	22%	0.222	C	C	.	.			trans	-57.5	140.4	-179.2	0	0	0	0	0	112.3	D115 T117 E118 Y179 K275 F334	D115-A120 HydrophobicContact CB-CB 3.99Å; D115-A120 WeakPolarHBondContact O-CB 3.37Å; D115-A120 PolarHBondContact OD2-N 3.11Å; T117-A120 WeakPolarHBondContact O-CB 3.32Å; T117-A120 PolarHBondContact O-N 3.16Å; T117-A120 VanDerWaalsContact O-N 3.11Å; E118-A120 PolarHBondContact O-N 3.36Å; A120-Y179 PolarHBondContact O-OH 3.37Å; A120-Y179 VanDerWaalsContact O-OH 3.09Å; A120-K275 PolarHBondContact O-NZ 2.92Å; A120-F334 HydrophobicContact CB-CE2 3.94Å; A120-F334 HydrophobicContact CB-CZ 3.72Å
121	V	87.8	Confident	88.8	Confident	34 Å²	34	46.1 Å²	46.1	21%	0.206	25%	0.248	C	C	.	.			trans	-118.3	140.7	-178.2	156.1	0	0	0	0	111.4	R108 E124 Y179	R108-V121 VanDerWaalsContact NH2-CG2 3.27Å; V121-E124 WeakPolarHBondContact O-CB 3.28Å; V121-E124 PolarHBondContact O-N 3.04Å; V121-Y179 WeakPolarHBondContact CA-OH 3.43Å; V121-Y179 PolarHBondContact N-OH 3Å
122	Q	88.2	Confident	87.4	Confident	92 Å²	92	42.7 Å²	42.7	43%	0.43	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	133.8	178.8	-159.6	178.9	49.8	0	0	110	P177 Y179	Q122-P177 HydrophobicContact CG-CB 3.88Å; Q122-Y179 HydrophobicContact CB-CE1 4.49Å; Q122-Y179 PolarHBondContact N-OH 3.32Å; Q122-Y179 PolarHBondContact NE2-O 3.36Å
123	G	89.9	Confident	85.7	Confident	12 Å²	12	46.8 Å²	46.8	12%	0.124	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	14.6	-175.8	0	0	0	0	0	115	C175	G123-C175 WeakPolarHBondContact O-CB 3.31Å; G123-C175 PolarHBondContact O-N 3.46Å
124	E	91.9	Very high	84.2	Confident	24 Å²	24	46.1 Å²	46.1	11%	0.112	28%	0.275	C	S	.	.			trans	-59.5	140.2	172	-177.2	174.7	-115.1	0	0	112.5	R108 V121 Y126 C175	R108-E124 IonicContact NH1-OE1 3.48Å; V121-E124 WeakPolarHBondContact O-CB 3.28Å; V121-E124 PolarHBondContact O-N 3.04Å; E124-Y126 HydrophobicContact CG-CE1 4.24Å; E124-C175 WeakPolarHBondContact O-CB 3.32Å
125	H	94.1	Very high	83.2	Confident	8 Å²	8	46.8 Å²	46.8	4%	0.037	28%	0.278	C	S	.	.			trans	-97.5	133.3	179.1	-73.3	-77.4	0	0	0	112.4	W127 C152 C155 L173 C175	H125-W127 HydrophobicContact CB-CD2 4.15Å; H125-W127 VanDerWaalsContact CB-CE2 3.43Å; H125-W127 HydrophobicContact CB-CG 4.44Å; H125-W127 HydrophobicContact CB-CZ2 3.66Å; H125-W127 VanDerWaalsContact CB-NE1 3.33Å; H125-W127 AromaticContact CD2-CZ2 3.92Å; H125-W127 AromaticContact CG-CZ2 3.73Å; H125-W127 PolarHBondContact O-N 3.27Å; H125-C152 HydrophobicContact CB-CB 4.15Å; H125-C152 PolarHBondContact ND1-SG 2.88Å; H125-C152 VanDerWaalsContact ND1-SG 3.35Å; H125-C155 PolarHBondContact ND1-SG 3.15Å; H125-L173 PolarHBondContact CE1-O 3.36Å; H125-L173 VanDerWaalsContact CE1-O 3.24Å; H125-L173 PolarHBondContact NE2-O 3.5Å; H125-C175 WeakPolarHBondContact ND1-CB 3.37Å; H125-C175 PolarHBondContact ND1-SG 3.03Å; H125-C175 VanDerWaalsContact ND1-SG 3.45Å
126	Y	94.1	Very high	82.7	Confident	1 Å²	1	48.7 Å²	48.7	0%	0.004	29%	0.288	C	S	.	.			trans	-95.8	81.2	-179	-51.7	-58.7	0	0	0	111.1	R111 P114 E124 C152 S153 A154 T178 P373	R111-Y126 CarbonylContact O-C 3.55Å; R111-Y126 VanDerWaalsContact O-CA 3.32Å; R111-Y126 WeakPolarHBondContact O-CA 3.41Å; P114-Y126 HydrophobicContact CB-CE1 4.16Å; P114-Y126 HydrophobicContact CG-CE1 4.27Å; E124-Y126 HydrophobicContact CG-CE1 4.24Å; Y126-C152 PolarHBondContact N-SG 3.13Å; Y126-C152 CarbonylContact O-C 3.56Å; Y126-C152 WeakPolarHBondContact O-CA 3.49Å; Y126-S153 PolarHBondContact O-N 3.24Å; Y126-A154 HydrophobicContact CD2-CB 3.95Å; Y126-A154 HydrophobicContact CE2-CB 4.48Å; Y126-T178 HydrophobicContact CE2-CG2 3.92Å; Y126-T178 PolarHBondContact OH-OG1 2.94Å; Y126-P373 HydrophobicContact CD2-CB 3.84Å; Y126-P373 HydrophobicContact CD2-CG 3.83Å; Y126-P373 HydrophobicContact CE2-CB 3.64Å; Y126-P373 HydrophobicContact CE2-CG 3.69Å
127	W	93.3	Very high	82.5	Confident	8 Å²	8	47.1 Å²	47.1	3%	0.03	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	147	-170.1	-60.6	105	0	0	0	113.7	I110 R111 I112 H125 M150 C152 L157 A159 I164 V167	I110-W127 HydrophobicContact CG2-CB 3.66Å; I110-W127 HydrophobicContact CG2-CG 4.2Å; R111-W127 PolarHBondContact O-N 3.28Å; I112-W127 WeakPolarHBondContact CB-O 3.23Å; H125-W127 HydrophobicContact CB-CD2 4.15Å; H125-W127 VanDerWaalsContact CB-CE2 3.43Å; H125-W127 HydrophobicContact CB-CG 4.44Å; H125-W127 HydrophobicContact CB-CZ2 3.66Å; H125-W127 VanDerWaalsContact CB-NE1 3.33Å; H125-W127 AromaticContact CD2-CZ2 3.92Å; H125-W127 AromaticContact CG-CZ2 3.73Å; H125-W127 PolarHBondContact O-N 3.27Å; W127-M150 HydrophobicContact CB-CB 4.39Å; W127-M150 HydrophobicContact CB-CE 4.19Å; W127-M150 HydrophobicContact CD2-CB 4.33Å; W127-M150 HydrophobicContact CE3-CB 3.78Å; W127-M150 HydrophobicContact CZ3-CB 4.49Å; W127-C152 HydrophobicContact CD2-CB 4.49Å; W127-C152 HydrophobicContact CE3-CB 4.09Å; W127-C152 HydrophobicContact CH2-CB 4.45Å; W127-C152 HydrophobicContact CZ3-CB 4.07Å; W127-L157 HydrophobicContact CH2-CD2 4.42Å; W127-A159 HydrophobicContact CH2-CB 3.74Å; W127-A159 HydrophobicContact CZ2-CB 4.44Å; W127-A159 HydrophobicContact CZ3-CB 4Å; W127-I164 HydrophobicContact CB-CD1 4.48Å; W127-I164 HydrophobicContact CD2-CD1 3.79Å; W127-I164 HydrophobicContact CD2-CG1 4.13Å; W127-I164 HydrophobicContact CE3-CD1 4.38Å; W127-I164 HydrophobicContact CG-CD1 3.81Å; W127-I164 HydrophobicContact CZ2-CG1 4Å; W127-I164 HydrophobicContact CZ2-CG2 4.48Å; W127-V167 HydrophobicContact CH2-CG1 4.47Å; W127-V167 HydrophobicContact CZ2-CG1 4.18Å
128	K	91.1	Very high	82.4	Confident	40 Å²	40	45.1 Å²	45.1	17%	0.174	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	155.4	167	64.6	-174.3	170.9	-148.3	0	110.6	I112 M150 K151 S153 G365	I112-K128 HydrophobicContact CD1-CB 3.7Å; I112-K128 HydrophobicContact CD1-CD 4.43Å; I112-K128 HydrophobicContact CG1-CB 4.3Å; K128-M150 CarbonylContact O-C 3.6Å; K128-M150 VanDerWaalsContact O-CA 3.28Å; K128-M150 WeakPolarHBondContact O-CA 3.49Å; K128-K151 WeakPolarHBondContact CG-O 3.33Å; K128-K151 PolarHBondContact N-O 2.75Å; K128-K151 PolarHBondContact O-N 2.69Å; K128-S153 WeakPolarHBondContact CD-OG 3.43Å; K128-S153 WeakPolarHBondContact CE-OG 3.26Å; K128-S153 PolarHBondContact NZ-OG 3.38Å; K128-G365 PolarHBondContact NZ-O 2.83Å; K128-G365 VanDerWaalsContact NZ-O 3.15Å
129	P	89.4	Confident	82.4	Confident	78 Å²	78	40.3 Å²	40.3	51%	0.506	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	145.2	169.7	-29.8	38.5	0	0	0	113.4	Q148 M150	P129-Q148 VanDerWaalsContact CB-OE1 3.31Å; P129-M150 HydrophobicContact CB-SD 4.45Å; P129-M150 HydrophobicContact CG-CE 4.37Å; P129-M150 HydrophobicContact CG-SD 4.18Å
130	T	86	Confident	81.9	Confident	27 Å²	27	38.9 Å²	38.9	17%	0.166	24%	0.242	C	C	.	.			trans	-135.7	125.8	168.8	-177.4	0	0	0	0	111.3	A132 D135 R149 K151	T130-A132 VanDerWaalsContact C-N 3.34Å; T130-A132 WeakPolarHBondContact OG1-CB 3.23Å; T130-A132 PolarHBondContact OG1-N 3.32Å; T130-D135 PolarHBondContact OG1-OD2 3.19Å; T130-R149 HydrophobicContact CG2-CB 3.8Å; T130-R149 PolarHBondContact N-O 3.22Å; T130-K151 HydrophobicContact CG2-CB 3.94Å
131	S	69.3	Low	81.3	Confident	130 Å²	130	46 Å²	46	91%	0.909	28%	0.275	S	S	*	.			trans	-91.5	7.5	172.8	53.2	0	0	0	0	113	S133	S131-S133 PolarHBondContact O-N 2.9Å
132	A	58.9	Low	81	Confident	42 Å²	42	49.3 Å²	49.3	35%	0.347	29%	0.288	S	S	.	.			trans	-68.2	107.1	-175.6	0	0	0	0	0	112	T130 G134 D135	T130-A132 VanDerWaalsContact C-N 3.34Å; T130-A132 WeakPolarHBondContact OG1-CB 3.23Å; T130-A132 PolarHBondContact OG1-N 3.32Å; A132-G134 PolarHBondContact O-N 2.96Å; A132-D135 HydrophobicContact CB-CB 4.15Å; A132-D135 WeakPolarHBondContact CB-OD2 3.49Å; A132-D135 PolarHBondContact O-N 3.29Å
133	S	53.8	Low	80.8	Confident	121 Å²	121	45.7 Å²	45.7	85%	0.846	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	3.2	-176.7	55.8	0	0	0	0	116.2	S131	S131-S133 PolarHBondContact O-N 2.9Å
134	G	60.3	Low	80.4	Confident	15 Å²	15	49.4 Å²	49.4	16%	0.155	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	4.1	174	0	0	0	0	0	115.2	A132	A132-G134 PolarHBondContact O-N 2.96Å
135	D	70.8	Confident	79.8	Confident	26 Å²	26	56 Å²	56	14%	0.139	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-82	119.2	175.6	-87.4	-12.3	0	0	0	109.8	T130 A132 R149 K151 V158	T130-D135 PolarHBondContact OG1-OD2 3.19Å; A132-D135 HydrophobicContact CB-CB 4.15Å; A132-D135 WeakPolarHBondContact CB-OD2 3.49Å; A132-D135 PolarHBondContact O-N 3.29Å; D135-R149 PolarHBondContact O-NH1 3.24Å; D135-K151 IonicContact OD1-NZ 2.68Å; D135-K151 PolarHBondContact OD1-NZ 2.93Å; D135-K151 WeakPolarHBondContact OD2-CD 3.33Å; D135-K151 IonicContact OD2-NZ 2.64Å; D135-K151 PolarHBondContact OD2-NZ 3.49Å; D135-V158 HydrophobicContact CB-CG1 4.1Å; D135-V158 HydrophobicContact CB-CG2 3.94Å
136	L	79.4	Confident	79.2	Confident	56 Å²	56	58.3 Å²	58.3	29%	0.293	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-100.6	139.5	-177.2	-68.3	173.9	0	0	0	112	V158 K201	L136-V158 WeakPolarHBondContact O-CB 3.29Å; L136-K201 HydrophobicContact CB-CD 3.98Å; L136-K201 HydrophobicContact CD1-CB 4.29Å; L136-K201 HydrophobicContact CD1-CD 3.92Å
137	C	86.9	Confident	78.6	Confident	6 Å²	6	60.1 Å²	60.1	4%	0.041	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-60.4	140.7	174	-177.6	0	0	0	0	112	C143 V158 H160 K201	C137-C143 VanDerWaalsContact CB-SG 3.57Å; C137-C143 VanDerWaalsContact SG-SG 3.67Å; C137-V158 CarbonylContact C-O 3.57Å; C137-V158 WeakPolarHBondContact CA-O 3.46Å; C137-H160 VanDerWaalsContact CB-CE1 3.45Å; C137-H160 WeakPolarHBondContact CB-CE1 3.41Å; C137-H160 WeakPolarHBondContact CB-ND1 3.41Å; C137-K201 PolarHBondContact O-NZ 3.49Å
138	C	86.4	Confident	78.4	Confident	24 Å²	24	65.3 Å²	65.3	16%	0.162	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-30.9	-177.7	56.9	0	0	0	0	114.4	N140 L157 V158 V167	C138-N140 PolarHBondContact O-N 2.95Å; C138-L157 HydrophobicContact CB-CD1 3.61Å; C138-L157 HydrophobicContact CB-CG 4.11Å; C138-V158 PolarHBondContact N-O 2.98Å; C138-V158 PolarHBondContact SG-O 3.15Å; C138-V158 VanDerWaalsContact SG-O 3.36Å; C138-V167 VanDerWaalsContact SG-CG2 3.53Å
139	L	83.8	Confident	78.3	Confident	8 Å²	8	67.2 Å²	67.2	4%	0.042	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	2.1	-171.1	-67	-176.2	0	0	0	116.6	E141 E142 C143 C163 F166 V167 L173	L139-E141 PolarHBondContact O-N 3.27Å; L139-E142 HydrophobicContact CB-CB 4.24Å; L139-E142 PolarHBondContact O-N 3.07Å; L139-E142 VanDerWaalsContact O-N 3.17Å; L139-C143 HydrophobicContact CB-CB 4.35Å; L139-C163 HydrophobicContact CD1-CB 3.69Å; L139-F166 HydrophobicContact CD1-CB 3.84Å; L139-V167 HydrophobicContact CD1-CG2 4.16Å; L139-V167 HydrophobicContact CD2-CG2 3.77Å; L139-V167 HydrophobicContact CG-CG2 3.86Å; L139-L173 HydrophobicContact CD2-CD1 3.79Å
140	N	76.1	Confident	78.5	Confident	64 Å²	64	64.1 Å²	64.1	34%	0.342	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	-95.7	179.8	-79.7	-17.6	0	0	0	114.2	C138 C143 K201	C138-N140 PolarHBondContact O-N 2.95Å; N140-C143 WeakPolarHBondContact O-CB 3.42Å; N140-K201 WeakPolarHBondContact OD1-CE 3.36Å; N140-K201 PolarHBondContact OD1-NZ 2.86Å
141	E	76.7	Confident	78.8	Confident	151 Å²	151	64.7 Å²	64.7	71%	0.706	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-30.8	-170	-43.9	-154.7	129.8	0	0	111.4	L139 C143 K228	L139-E141 PolarHBondContact O-N 3.27Å; E141-C143 PolarHBondContact O-N 2.95Å; E141-C143 VanDerWaalsContact O-N 3.15Å; E141-K228 HydrophobicContact CG-CD 4.44Å; E141-K228 IonicContact OE1-NZ 3.84Å; E141-K228 PolarHBondContact OE1-NZ 3.11Å
142	E	80.1	Confident	80	Confident	102 Å²	102	58.5 Å²	58.5	48%	0.477	32%	0.319	S	S	.	.	S	Bend	trans	-72.6	3.9	169.5	-57.1	162.4	-164.9	0	0	112.6	L139 I144 K170	L139-E142 HydrophobicContact CB-CB 4.24Å; L139-E142 PolarHBondContact O-N 3.07Å; L139-E142 VanDerWaalsContact O-N 3.17Å; E142-I144 PolarHBondContact O-N 2.99Å; E142-I144 VanDerWaalsContact O-N 3.15Å; E142-K170 IonicContact OE1-NZ 2.75Å; E142-K170 PolarHBondContact OE1-NZ 2.96Å; E142-K170 WeakPolarHBondContact OE2-CE 3.18Å; E142-K170 IonicContact OE2-NZ 3.14Å; E142-K170 PolarHBondContact OE2-NZ 2.92Å
143	C	83.9	Confident	81.7	Confident	16 Å²	16	56.5 Å²	56.5	11%	0.108	30%	0.303	C	S	.	.			trans	-72.7	106.2	179.9	179.3	0	0	0	0	110.5	C137 L139 N140 E141 K145 H160	C137-C143 VanDerWaalsContact CB-SG 3.57Å; C137-C143 VanDerWaalsContact SG-SG 3.67Å; L139-C143 HydrophobicContact CB-CB 4.35Å; N140-C143 WeakPolarHBondContact O-CB 3.42Å; E141-C143 PolarHBondContact O-N 2.95Å; E141-C143 VanDerWaalsContact O-N 3.15Å; C143-K145 PolarHBondContact O-N 2.69Å; C143-K145 VanDerWaalsContact O-N 3.09Å; C143-H160 PolarHBondContact SG-CE1 2.92Å; C143-H160 PolarHBondContact SG-ND1 3.09Å
144	I	82.1	Confident	83.6	Confident	91 Å²	91	50.7 Å²	50.7	47%	0.467	26%	0.262	S	S	.	.			trans	-62.4	-15.8	177.9	-54.4	178.5	0	0	0	112.3	E142 S146 F166	E142-I144 PolarHBondContact O-N 2.99Å; E142-I144 VanDerWaalsContact O-N 3.15Å; I144-S146 PolarHBondContact O-N 3.46Å; I144-F166 HydrophobicContact CD1-CD2 4.18Å; I144-F166 HydrophobicContact CD1-CE2 3.42Å; I144-F166 VanDerWaalsContact CD1-CE2 3.42Å; I144-F166 HydrophobicContact CD1-CZ 3.85Å
145	K	80.4	Confident	85.3	Confident	163 Å²	163	50 Å²	50	71%	0.709	26%	0.255	S	S	*	.			trans	57.5	13.4	-179.2	-61.7	167.9	-171.9	170.6	0	115.1	C143	C143-K145 PolarHBondContact O-N 2.69Å; C143-K145 VanDerWaalsContact O-N 3.09Å
146	S	79.9	Confident	86.3	Confident	55 Å²	55	50.7 Å²	50.7	39%	0.385	26%	0.257	S	S	.	.			trans	-107.9	142	-174.8	177.7	0	0	0	0	112.5	I144 H160 N162	I144-S146 PolarHBondContact O-N 3.46Å; S146-H160 VanDerWaalsContact O-CB 3.27Å; S146-H160 WeakPolarHBondContact O-CB 3.43Å; S146-N162 WeakPolarHBondContact O-CB 3.34Å; S146-N162 PolarHBondContact OG-ND2 3.33Å
147	G	82.7	Confident	86.9	Confident	39 Å²	39	48.8 Å²	48.8	40%	0.402	25%	0.248	S	C	.	.	S	Bend	trans	85.3	165.1	-178.1	0	0	0	0	0	114.5	H160	G147-H160 PolarHBondContact O-CD2 2.73Å
148	Q	88.6	Confident	87.1	Confident	118 Å²	118	49 Å²	49	55%	0.551	25%	0.248	S	C	*	.			trans	-59.5	149	-179.8	-166.2	-177.9	69.3	0	0	111.5	P129 H160 H161	P129-Q148 VanDerWaalsContact CB-OE1 3.31Å; Q148-H160 CarbonylContact O-C 3.58Å; Q148-H160 WeakPolarHBondContact O-CA 3.49Å; Q148-H161 PolarHBondContact O-N 3.4Å
149	R	89.6	Confident	87.3	Confident	79 Å²	79	47.8 Å²	47.8	30%	0.298	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.3	174.9	-66.9	-175.7	-163.8	168.3	13.1	110.8	T130 D135 H160	T130-R149 HydrophobicContact CG2-CB 3.8Å; T130-R149 PolarHBondContact N-O 3.22Å; D135-R149 PolarHBondContact O-NH1 3.24Å; R149-H160 PolarHBondContact NE-NE2 2.96Å
150	M	92	Very high	87.7	Confident	14 Å²	14	48.8 Å²	48.8	7%	0.069	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	143.2	-179.8	-57.9	-59.4	-85.9	0	0	109.6	I110 W127 K128 P129 V158 A159 H161 I164	I110-M150 HydrophobicContact CG2-CE 4.14Å; W127-M150 HydrophobicContact CB-CB 4.39Å; W127-M150 HydrophobicContact CB-CE 4.19Å; W127-M150 HydrophobicContact CD2-CB 4.33Å; W127-M150 HydrophobicContact CE3-CB 3.78Å; W127-M150 HydrophobicContact CZ3-CB 4.49Å; K128-M150 CarbonylContact O-C 3.6Å; K128-M150 VanDerWaalsContact O-CA 3.28Å; K128-M150 WeakPolarHBondContact O-CA 3.49Å; P129-M150 HydrophobicContact CB-SD 4.45Å; P129-M150 HydrophobicContact CG-CE 4.37Å; P129-M150 HydrophobicContact CG-SD 4.18Å; M150-V158 WeakPolarHBondContact O-CA 3.46Å; M150-A159 PolarHBondContact N-O 2.87Å; M150-A159 PolarHBondContact O-N 2.78Å; M150-A159 VanDerWaalsContact O-O 3.05Å; M150-H161 HydrophobicContact CG-CB 4.32Å; M150-I164 HydrophobicContact CB-CD1 3.99Å; M150-I164 HydrophobicContact CG-CD1 3.94Å
151	K	92.7	Very high	88.3	Confident	38 Å²	38	49.8 Å²	49.8	17%	0.165	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.9	177.5	-166.5	163.9	-157.6	159	0	110.4	K128 T130 D135 S153 Q156 L157 V158	K128-K151 WeakPolarHBondContact CG-O 3.33Å; K128-K151 PolarHBondContact N-O 2.75Å; K128-K151 PolarHBondContact O-N 2.69Å; T130-K151 HydrophobicContact CG2-CB 3.94Å; D135-K151 IonicContact OD1-NZ 2.68Å; D135-K151 PolarHBondContact OD1-NZ 2.93Å; D135-K151 WeakPolarHBondContact OD2-CD 3.33Å; D135-K151 IonicContact OD2-NZ 2.64Å; D135-K151 PolarHBondContact OD2-NZ 3.49Å; K151-S153 PolarHBondContact O-N 3.48Å; K151-Q156 WeakPolarHBondContact CE-O 3.39Å; K151-L157 CarbonylContact C-O 3.48Å; K151-L157 WeakPolarHBondContact CA-O 3.48Å; K151-V158 HydrophobicContact CB-CG2 4.24Å; K151-V158 HydrophobicContact CD-CG2 3.96Å; K151-V158 HydrophobicContact CG-CG2 3.81Å
152	C	94.6	Very high	89	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	121.3	175.9	177.3	0	0	0	0	110.2	H125 Y126 W127 A154 Q156 L157 C175	H125-C152 HydrophobicContact CB-CB 4.15Å; H125-C152 PolarHBondContact ND1-SG 2.88Å; H125-C152 VanDerWaalsContact ND1-SG 3.35Å; Y126-C152 PolarHBondContact N-SG 3.13Å; Y126-C152 CarbonylContact O-C 3.56Å; Y126-C152 WeakPolarHBondContact O-CA 3.49Å; W127-C152 HydrophobicContact CD2-CB 4.49Å; W127-C152 HydrophobicContact CE3-CB 4.09Å; W127-C152 HydrophobicContact CH2-CB 4.45Å; W127-C152 HydrophobicContact CZ3-CB 4.07Å; C152-A154 VanDerWaalsContact C-N 3.26Å; C152-A154 PolarHBondContact O-N 3.03Å; C152-Q156 WeakPolarHBondContact O-CA 3.46Å; C152-Q156 PolarHBondContact O-N 3.36Å; C152-L157 HydrophobicContact CB-CB 4.46Å; C152-L157 PolarHBondContact N-O 3.31Å; C152-C175 PolarHBondContact SG-SG 3.44Å
153	S	94.3	Very high	89.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.9	-178.6	-73.7	0	0	0	0	114	Y126 K128 K151 Q156 G365 Q368 H369	Y126-S153 PolarHBondContact O-N 3.24Å; K128-S153 WeakPolarHBondContact CD-OG 3.43Å; K128-S153 WeakPolarHBondContact CE-OG 3.26Å; K128-S153 PolarHBondContact NZ-OG 3.38Å; K151-S153 PolarHBondContact O-N 3.48Å; S153-Q156 PolarHBondContact O-NE2 3.16Å; S153-G365 WeakPolarHBondContact OG-CA 3.37Å; S153-Q368 PolarHBondContact OG-OE1 2.84Å; S153-H369 VanDerWaalsContact O-CA 3.29Å; S153-H369 WeakPolarHBondContact O-CA 3.16Å; S153-H369 VanDerWaalsContact O-CB 3.27Å; S153-H369 WeakPolarHBondContact O-CB 3.41Å; S153-H369 PolarHBondContact O-N 3.16Å
154	A	95.2	Very high	89.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-61.8	-179.8	0	0	0	0	0	112.7	Y126 C152 K176 H369 P373	Y126-A154 HydrophobicContact CD2-CB 3.95Å; Y126-A154 HydrophobicContact CE2-CB 4.48Å; C152-A154 VanDerWaalsContact C-N 3.26Å; C152-A154 PolarHBondContact O-N 3.03Å; A154-K176 HydrophobicContact CB-CD 4.49Å; A154-K176 HydrophobicContact CB-CG 4.35Å; A154-H369 PolarHBondContact O-ND1 3.44Å; A154-P373 HydrophobicContact CB-CG 3.71Å
155	C	94.1	Very high	90.2	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.007	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-7.1	-173.9	67.4	0	0	0	0	114.5	H125 L157 C175 V198 R200 A236	H125-C155 PolarHBondContact ND1-SG 3.15Å; C155-L157 PolarHBondContact O-N 3.48Å; C155-L157 WeakPolarHBondContact SG-CB 3.46Å; C155-C175 PolarHBondContact SG-SG 2.84Å; C155-V198 HydrophobicContact CB-CG2 3.92Å; C155-R200 PolarHBondContact O-NH1 3.33Å; C155-R200 PolarHBondContact O-NH2 3.22Å; C155-A236 HydrophobicContact CB-CB 4.14Å
156	Q	92.6	Very high	90.7	Very high	39 Å²	39	34.3 Å²	34.3	18%	0.182	18%	0.178	C	C	.	.			trans	61.5	16.8	-175.1	-53.5	-65.1	-45	0	0	114.8	K151 C152 S153	K151-Q156 WeakPolarHBondContact CE-O 3.39Å; C152-Q156 WeakPolarHBondContact O-CA 3.46Å; C152-Q156 PolarHBondContact O-N 3.36Å; S153-Q156 PolarHBondContact O-NE2 3.16Å
157	L	91.7	Very high	91.2	Very high	17 Å²	17	31.8 Å²	31.8	9%	0.089	16%	0.16	C	C	.	.			trans	-61	147.9	169	-167.2	69.7	0	0	0	110.3	W127 C138 K151 C152 C155 V167 V198	W127-L157 HydrophobicContact CH2-CD2 4.42Å; C138-L157 HydrophobicContact CB-CD1 3.61Å; C138-L157 HydrophobicContact CB-CG 4.11Å; K151-L157 CarbonylContact C-O 3.48Å; K151-L157 WeakPolarHBondContact CA-O 3.48Å; C152-L157 HydrophobicContact CB-CB 4.46Å; C152-L157 PolarHBondContact N-O 3.31Å; C155-L157 PolarHBondContact O-N 3.48Å; C155-L157 WeakPolarHBondContact SG-CB 3.46Å; L157-V167 HydrophobicContact CD2-CG1 3.97Å; L157-V198 HydrophobicContact CD1-CG1 4.34Å
158	V	91.4	Very high	91.4	Very high	9 Å²	9	31.8 Å²	31.8	6%	0.055	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.3	-177.8	172.8	0	0	0	0	109.9	D135 L136 C137 C138 M150 K151	D135-V158 HydrophobicContact CB-CG1 4.1Å; D135-V158 HydrophobicContact CB-CG2 3.94Å; L136-V158 WeakPolarHBondContact O-CB 3.29Å; C137-V158 CarbonylContact C-O 3.57Å; C137-V158 WeakPolarHBondContact CA-O 3.46Å; C138-V158 PolarHBondContact N-O 2.98Å; C138-V158 PolarHBondContact SG-O 3.15Å; C138-V158 VanDerWaalsContact SG-O 3.36Å; M150-V158 WeakPolarHBondContact O-CA 3.46Å; K151-V158 HydrophobicContact CB-CG2 4.24Å; K151-V158 HydrophobicContact CD-CG2 3.96Å; K151-V158 HydrophobicContact CG-CG2 3.81Å
159	A	91.4	Very high	91.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	160.4	172.2	0	0	0	0	0	109.6	W127 M150 C163 I164 V167	W127-A159 HydrophobicContact CH2-CB 3.74Å; W127-A159 HydrophobicContact CZ2-CB 4.44Å; W127-A159 HydrophobicContact CZ3-CB 4Å; M150-A159 PolarHBondContact N-O 2.87Å; M150-A159 PolarHBondContact O-N 2.78Å; M150-A159 VanDerWaalsContact O-O 3.05Å; A159-C163 HydrophobicContact CB-CB 4.3Å; A159-I164 HydrophobicContact CB-CG1 4.1Å; A159-V167 HydrophobicContact CB-CG2 4.1Å
160	H	90.8	Very high	91.3	Very high	29 Å²	29	31.4 Å²	31.4	13%	0.134	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	154.5	159.1	-56.6	89.9	0	0	0	109.5	C137 C143 S146 G147 Q148 R149 N162 C163 I164	C137-H160 VanDerWaalsContact CB-CE1 3.45Å; C137-H160 WeakPolarHBondContact CB-CE1 3.41Å; C137-H160 WeakPolarHBondContact CB-ND1 3.41Å; C143-H160 PolarHBondContact SG-CE1 2.92Å; C143-H160 PolarHBondContact SG-ND1 3.09Å; S146-H160 VanDerWaalsContact O-CB 3.27Å; S146-H160 WeakPolarHBondContact O-CB 3.43Å; G147-H160 PolarHBondContact O-CD2 2.73Å; Q148-H160 CarbonylContact O-C 3.58Å; Q148-H160 WeakPolarHBondContact O-CA 3.49Å; R149-H160 PolarHBondContact NE-NE2 2.96Å; H160-N162 VanDerWaalsContact C-N 3.27Å; H160-N162 PolarHBondContact O-N 3.25Å; H160-C163 HydrophobicContact CB-CB 4.28Å; H160-C163 WeakPolarHBondContact O-CA 3.33Å; H160-C163 VanDerWaalsContact O-CB 3.3Å; H160-C163 WeakPolarHBondContact O-CB 3.43Å; H160-C163 PolarHBondContact O-N 3.1Å; H160-I164 PolarHBondContact O-N 2.86Å
161	H	90.4	Very high	91	Very high	85 Å²	85	35.7 Å²	35.7	39%	0.394	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-46.9	-50.9	177.8	179.6	-87.7	0	0	0	111.9	I110 Q148 M150 C163 I164	I110-H161 VanDerWaalsContact CD1-CD2 3.42Å; I110-H161 WeakPolarHBondContact CD1-CD2 3.48Å; I110-H161 WeakPolarHBondContact CD1-NE2 3.38Å; Q148-H161 PolarHBondContact O-N 3.4Å; M150-H161 HydrophobicContact CG-CB 4.32Å; H161-C163 PolarHBondContact O-N 3.47Å; H161-I164 WeakPolarHBondContact O-CB 3.2Å; H161-I164 PolarHBondContact O-N 3.11Å
162	N	89.9	Confident	90.8	Very high	65 Å²	65	39.6 Å²	39.6	35%	0.348	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-77.1	-3.8	-177.5	-56.7	-13.4	0	0	0	113.2	S146 H160	S146-N162 WeakPolarHBondContact O-CB 3.34Å; S146-N162 PolarHBondContact OG-ND2 3.33Å; H160-N162 VanDerWaalsContact C-N 3.27Å; H160-N162 PolarHBondContact O-N 3.25Å
163	C	91.6	Very high	90.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-93.5	-17.8	172.4	-67.8	0	0	0	0	112.9	L139 A159 H160 H161 P165 F166 V167	L139-C163 HydrophobicContact CD1-CB 3.69Å; A159-C163 HydrophobicContact CB-CB 4.3Å; H160-C163 HydrophobicContact CB-CB 4.28Å; H160-C163 WeakPolarHBondContact O-CA 3.33Å; H160-C163 VanDerWaalsContact O-CB 3.3Å; H160-C163 WeakPolarHBondContact O-CB 3.43Å; H160-C163 PolarHBondContact O-N 3.1Å; H161-C163 PolarHBondContact O-N 3.47Å; C163-P165 VanDerWaalsContact C-CD 3.45Å; C163-F166 PolarHBondContact O-N 3.24Å; C163-V167 WeakPolarHBondContact O-CG2 3.5Å; C163-V167 PolarHBondContact O-N 2.82Å
164	I	91.3	Very high	90.5	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-55.6	-40.5	-177.9	-69.2	168.8	0	0	0	113.3	I110 W127 M150 A159 H160 H161 F166 V167 N168	I110-I164 HydrophobicContact CD1-CD1 3.76Å; I110-I164 HydrophobicContact CG1-CD1 4.35Å; W127-I164 HydrophobicContact CB-CD1 4.48Å; W127-I164 HydrophobicContact CD2-CD1 3.79Å; W127-I164 HydrophobicContact CD2-CG1 4.13Å; W127-I164 HydrophobicContact CE3-CD1 4.38Å; W127-I164 HydrophobicContact CG-CD1 3.81Å; W127-I164 HydrophobicContact CZ2-CG1 4Å; W127-I164 HydrophobicContact CZ2-CG2 4.48Å; M150-I164 HydrophobicContact CB-CD1 3.99Å; M150-I164 HydrophobicContact CG-CD1 3.94Å; A159-I164 HydrophobicContact CB-CG1 4.1Å; H160-I164 PolarHBondContact O-N 2.86Å; H161-I164 WeakPolarHBondContact O-CB 3.2Å; H161-I164 PolarHBondContact O-N 3.11Å; I164-F166 VanDerWaalsContact C-N 3.33Å; I164-F166 PolarHBondContact O-N 3.32Å; I164-V167 WeakPolarHBondContact O-CB 3.43Å; I164-V167 PolarHBondContact O-N 2.86Å; I164-V167 VanDerWaalsContact O-N 3.14Å; I164-N168 PolarHBondContact O-N 2.87Å; I164-N168 PolarHBondContact O-OD1 2.89Å
165	P	89.7	Confident	90.5	Very high	38 Å²	38	43.5 Å²	43.5	25%	0.247	24%	0.237	C	C	.	.	H	α-helix	trans	-52.4	-47.7	176.8	-31.4	38.9	0	0	0	113.7	C163 N168 E169	C163-P165 VanDerWaalsContact C-CD 3.45Å; P165-N168 WeakPolarHBondContact O-CB 3.31Å; P165-N168 PolarHBondContact O-N 3.33Å; P165-E169 PolarHBondContact O-N 2.85Å
166	F	89.5	Confident	90.5	Very high	90 Å²	90	43.5 Å²	43.5	40%	0.395	24%	0.237	S	C	.	.	H	α-helix	trans	-72.4	-28.6	-179.7	-50.8	-88.9	0	0	0	112.9	L139 I144 C163 I164	L139-F166 HydrophobicContact CD1-CB 3.84Å; I144-F166 HydrophobicContact CD1-CD2 4.18Å; I144-F166 HydrophobicContact CD1-CE2 3.42Å; I144-F166 VanDerWaalsContact CD1-CE2 3.42Å; I144-F166 HydrophobicContact CD1-CZ 3.85Å; C163-F166 PolarHBondContact O-N 3.24Å; I164-F166 VanDerWaalsContact C-N 3.33Å; I164-F166 PolarHBondContact O-N 3.32Å
167	V	90.1	Very high	90.5	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-67.5	-40.9	170.6	176.3	0	0	0	0	110.7	W127 C138 L139 L157 A159 C163 I164 E169 K170 L173	W127-V167 HydrophobicContact CH2-CG1 4.47Å; W127-V167 HydrophobicContact CZ2-CG1 4.18Å; C138-V167 VanDerWaalsContact SG-CG2 3.53Å; L139-V167 HydrophobicContact CD1-CG2 4.16Å; L139-V167 HydrophobicContact CD2-CG2 3.77Å; L139-V167 HydrophobicContact CG-CG2 3.86Å; L157-V167 HydrophobicContact CD2-CG1 3.97Å; A159-V167 HydrophobicContact CB-CG2 4.1Å; C163-V167 WeakPolarHBondContact O-CG2 3.5Å; C163-V167 PolarHBondContact O-N 2.82Å; I164-V167 WeakPolarHBondContact O-CB 3.43Å; I164-V167 PolarHBondContact O-N 2.86Å; I164-V167 VanDerWaalsContact O-N 3.14Å; V167-E169 VanDerWaalsContact C-N 3.26Å; V167-E169 PolarHBondContact O-N 2.87Å; V167-K170 PolarHBondContact O-N 2.94Å; V167-L173 HydrophobicContact CG1-CB 4.13Å; V167-L173 HydrophobicContact CG1-CD1 4.5Å
168	N	88.3	Confident	90.6	Very high	40 Å²	40	43 Å²	43	21%	0.214	24%	0.238	C	C	.	.	H	α-helix	trans	-69.9	-19.6	179.7	-72.9	0.7	0	0	0	113.8	N105 I164 P165	N105-N168 HydrophobicContact CB-CB 4.01Å; N105-N168 PolarHBondContact O-ND2 2.92Å; I164-N168 PolarHBondContact O-N 2.87Å; I164-N168 PolarHBondContact O-OD1 2.89Å; P165-N168 WeakPolarHBondContact O-CB 3.31Å; P165-N168 PolarHBondContact O-N 3.33Å
169	E	87.3	Confident	90.6	Very high	115 Å²	115	42.5 Å²	42.5	54%	0.537	24%	0.235	S	C	.	.	H	α-helix	trans	-86.8	-17.5	175.9	-72.5	170	171.8	0	0	112.8	S106 P165 V167	S106-E169 WeakPolarHBondContact CB-OE1 3.27Å; S106-E169 PolarHBondContact OG-OE1 2.78Å; P165-E169 PolarHBondContact O-N 2.85Å; V167-E169 VanDerWaalsContact C-N 3.26Å; V167-E169 PolarHBondContact O-N 2.87Å
170	K	88.9	Confident	90.4	Very high	73 Å²	73	44.4 Å²	44.4	32%	0.317	24%	0.242	S	C	.	.			trans	-95.3	104.3	179.4	-74.6	-174.6	167.8	-172.8	0	111.9	E142 V167 T172 L173 A174	E142-K170 IonicContact OE1-NZ 2.75Å; E142-K170 PolarHBondContact OE1-NZ 2.96Å; E142-K170 WeakPolarHBondContact OE2-CE 3.18Å; E142-K170 IonicContact OE2-NZ 3.14Å; E142-K170 PolarHBondContact OE2-NZ 2.92Å; V167-K170 PolarHBondContact O-N 2.94Å; K170-T172 PolarHBondContact O-N 2.88Å; K170-L173 HydrophobicContact CB-CB 4.18Å; K170-L173 HydrophobicContact CB-CD1 4.1Å; K170-L173 HydrophobicContact CB-CG 4.11Å; K170-L173 HydrophobicContact CD-CD1 4.06Å; K170-L173 CarbonylContact O-C 3.55Å; K170-L173 WeakPolarHBondContact O-CA 3.41Å; K170-L173 PolarHBondContact O-N 3.02Å; K170-A174 PolarHBondContact O-N 2.88Å
171	S	86.2	Confident	89.9	Confident	105 Å²	105	46.5 Å²	46.5	73%	0.734	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-53.9	-34.9	175.5	56.3	0	0	0	0	113.7	L173 A174	S171-L173 PolarHBondContact O-N 2.81Å; S171-A174 VanDerWaalsContact O-CB 3.28Å; S171-A174 WeakPolarHBondContact O-CB 3.4Å; S171-A174 PolarHBondContact O-N 2.99Å
172	T	87.3	Confident	88.8	Confident	120 Å²	120	44.2 Å²	44.2	74%	0.736	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-68.9	-10.7	175.2	54.4	0	0	0	0	114.4	K170	K170-T172 PolarHBondContact O-N 2.88Å
173	L	90.7	Very high	87.5	Confident	37 Å²	37	42.6 Å²	42.6	19%	0.194	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-112.3	8.6	174.6	-61.1	-179	0	0	0	112.8	H125 L139 V167 K170 S171	H125-L173 PolarHBondContact CE1-O 3.36Å; H125-L173 VanDerWaalsContact CE1-O 3.24Å; H125-L173 PolarHBondContact NE2-O 3.5Å; L139-L173 HydrophobicContact CD2-CD1 3.79Å; V167-L173 HydrophobicContact CG1-CB 4.13Å; V167-L173 HydrophobicContact CG1-CD1 4.5Å; K170-L173 HydrophobicContact CB-CB 4.18Å; K170-L173 HydrophobicContact CB-CD1 4.1Å; K170-L173 HydrophobicContact CB-CG 4.11Å; K170-L173 HydrophobicContact CD-CD1 4.06Å; K170-L173 CarbonylContact O-C 3.55Å; K170-L173 WeakPolarHBondContact O-CA 3.41Å; K170-L173 PolarHBondContact O-N 3.02Å; S171-L173 PolarHBondContact O-N 2.81Å
174	A	92.9	Very high	86	Confident	41 Å²	41	43.4 Å²	43.4	34%	0.339	25%	0.249	S	C	.	.			trans	-58	156	175.8	0	0	0	0	0	112.3	K170 S171 H196	K170-A174 PolarHBondContact O-N 2.88Å; S171-A174 VanDerWaalsContact O-CB 3.28Å; S171-A174 WeakPolarHBondContact O-CB 3.4Å; S171-A174 PolarHBondContact O-N 2.99Å; A174-H196 PolarHBondContact O-CE1 3.13Å; A174-H196 PolarHBondContact O-NE2 3.32Å
175	C	94.7	Very high	84.5	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.02	26%	0.264	C	S	.	.			trans	-78.6	174.2	177.4	-149.7	0	0	0	0	112.8	G123 E124 H125 C152 C155 H196	G123-C175 WeakPolarHBondContact O-CB 3.31Å; G123-C175 PolarHBondContact O-N 3.46Å; E124-C175 WeakPolarHBondContact O-CB 3.32Å; H125-C175 WeakPolarHBondContact ND1-CB 3.37Å; H125-C175 PolarHBondContact ND1-SG 3.03Å; H125-C175 VanDerWaalsContact ND1-SG 3.45Å; C152-C175 PolarHBondContact SG-SG 3.44Å; C155-C175 PolarHBondContact SG-SG 2.84Å; C175-H196 PolarHBondContact O-CE1 2.89Å
176	K	93.5	Very high	83.4	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	28%	0.276	C	S	.	.			trans	-62.1	127.2	173.3	73.6	-176.3	-170.4	168.8	0	109.4	A154 T178 H196 A236 W237 L371	A154-K176 HydrophobicContact CB-CD 4.49Å; A154-K176 HydrophobicContact CB-CG 4.35Å; K176-T178 PolarHBondContact O-N 2.99Å; K176-H196 HydrophobicContact CB-CB 4.02Å; K176-H196 PolarHBondContact N-CE1 2.82Å; K176-H196 PolarHBondContact N-NE2 3.31Å; K176-A236 HydrophobicContact CB-CB 4.28Å; K176-A236 HydrophobicContact CD-CB 3.84Å; K176-A236 VanDerWaalsContact CD-O 3.27Å; K176-A236 WeakPolarHBondContact CD-O 3.15Å; K176-A236 PolarHBondContact NZ-O 3Å; K176-W237 HydrophobicContact CB-CZ2 4.27Å; K176-W237 HydrophobicContact CD-CD2 3.9Å; K176-W237 HydrophobicContact CD-CE3 4.15Å; K176-W237 HydrophobicContact CD-CH2 3.98Å; K176-W237 HydrophobicContact CD-CZ2 3.69Å; K176-W237 HydrophobicContact CD-CZ3 4.21Å; K176-W237 HydrophobicContact CG-CH2 4.42Å; K176-W237 HydrophobicContact CG-CZ2 3.85Å; K176-W237 VanDerWaalsContact NZ-CE3 3.31Å; K176-L371 PolarHBondContact NZ-O 2.98Å
177	P	92.4	Very high	82.2	Confident	44 Å²	44	46.5 Å²	46.5	29%	0.286	26%	0.258	S	S	.	.			trans	-63.7	126.7	-179.3	26.2	-34	0	0	0	109	Q122 W237 P270	Q122-P177 HydrophobicContact CG-CB 3.88Å; P177-W237 WeakPolarHBondContact O-CZ2 3.48Å; P177-P270 WeakPolarHBondContact O-CB 3.26Å; P177-P270 WeakPolarHBondContact O-CG 3.46Å
178	T	94	Very high	81.3	Confident	1 Å²	1	47 Å²	47	1%	0.006	26%	0.259	C	S	.	.			trans	-95.6	-7.2	-176.3	56.7	0	0	0	0	113.7	Y126 K176 N372 P373 R374	Y126-T178 HydrophobicContact CE2-CG2 3.92Å; Y126-T178 PolarHBondContact OH-OG1 2.94Å; K176-T178 PolarHBondContact O-N 2.99Å; T178-N372 WeakPolarHBondContact CB-OD1 3.45Å; T178-N372 PolarHBondContact O-ND2 3.08Å; T178-P373 HydrophobicContact CG2-CB 4.22Å; T178-P373 HydrophobicContact CG2-CG 3.88Å; T178-R374 PolarHBondContact OG1-NE 3.18Å
179	Y	92.1	Very high	80.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-159.9	167.4	-175.7	71.1	-83.9	0	0	0	110.5	A120 V121 Q122 D181 I273 K275 F334	A120-Y179 PolarHBondContact O-OH 3.37Å; A120-Y179 VanDerWaalsContact O-OH 3.09Å; V121-Y179 WeakPolarHBondContact CA-OH 3.43Å; V121-Y179 PolarHBondContact N-OH 3Å; Q122-Y179 HydrophobicContact CB-CE1 4.49Å; Q122-Y179 PolarHBondContact N-OH 3.32Å; Q122-Y179 PolarHBondContact NE2-O 3.36Å; Y179-D181 HydrophobicContact CD2-CB 4.42Å; Y179-D181 HydrophobicContact CE2-CB 3.69Å; Y179-D181 PolarHBondContact OH-OD2 3.39Å; Y179-I273 CarbonylContact C-O 3.51Å; Y179-I273 WeakPolarHBondContact CA-O 3.45Å; Y179-I273 WeakPolarHBondContact CB-O 3.33Å; Y179-K275 HydrophobicContact CD2-CB 3.71Å; Y179-K275 HydrophobicContact CD2-CD 4.49Å; Y179-K275 HydrophobicContact CE2-CB 3.62Å; Y179-K275 HydrophobicContact CE2-CD 3.62Å; Y179-K275 HydrophobicContact CE2-CG 4.28Å; Y179-F334 HydrophobicContact CD1-CE1 4.24Å; Y179-F334 AromaticContact CD2-CE1 3.65Å; Y179-F334 HydrophobicContact CD2-CE1 3.65Å; Y179-F334 HydrophobicContact CD2-CZ 4.28Å; Y179-F334 HydrophobicContact CE2-CE1 4.1Å; Y179-F334 HydrophobicContact CE2-CZ 4.3Å; Y179-F334 AromaticContact CG-CE1 3.73Å; Y179-F334 HydrophobicContact CG-CE1 3.73Å; Y179-F334 HydrophobicContact CG-CZ 4.41Å
180	R	86.4	Confident	79.6	Confident	39 Å²	39	48.2 Å²	48.2	15%	0.147	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-97	127.6	170	-66.1	-74.2	-176.3	-173	-6	110.8	V182 Q190 T192 P270 I273 K275	R180-V182 HydrophobicContact CB-CG2 3.94Å; R180-Q190 PolarHBondContact NE-O 3.02Å; R180-Q190 PolarHBondContact NH2-O 3.01Å; R180-T192 PolarHBondContact NH2-O 3.31Å; R180-P270 PolarHBondContact N-O 3.48Å; R180-I273 PolarHBondContact N-O 3.47Å; R180-K275 PolarHBondContact O-N 3.42Å
181	D	80	Confident	78.9	Confident	73 Å²	73	47.9 Å²	47.9	39%	0.39	27%	0.268	S	S	.	.			trans	-104.6	78.4	173.5	-145.9	-25.4	0	0	0	108	Y179 K275	Y179-D181 HydrophobicContact CD2-CB 4.42Å; Y179-D181 HydrophobicContact CE2-CB 3.69Å; Y179-D181 PolarHBondContact OH-OD2 3.39Å; D181-K275 IonicContact OD1-NZ 3.77Å; D181-K275 WeakPolarHBondContact OD2-CD 3.48Å; D181-K275 IonicContact OD2-NZ 2.81Å; D181-K275 PolarHBondContact OD2-NZ 2.73Å
182	V	67.6	Low	78.6	Confident	37 Å²	37	45 Å²	45	22%	0.224	25%	0.246	C	C	.	.			trans	-141.6	152.8	-172.3	-64.1	0	0	0	0	110.1	R180	R180-V182 HydrophobicContact CB-CG2 3.94Å
183	G	63.2	Low	78.6	Confident	32 Å²	32	40 Å²	40	33%	0.33	22%	0.216	S	C	.	.			trans	-61.2	150.8	-176.9	0	0	0	0	0	113.4	R185 Q186 Y187	G183-R185 PolarHBondContact O-N 3.1Å; G183-Q186 PolarHBondContact O-N 3.13Å; G183-Y187 PolarHBondContact O-N 2.76Å
184	I	59.9	Low	78.6	Confident	16 Å²	16	42.5 Å²	42.5	8%	0.082	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-19.8	-176.1	-65.7	-173.7	0	0	0	113.9	Y187 L276 P277 F282 T760 A761	I184-Y187 WeakPolarHBondContact O-CD1 3.38Å; I184-Y187 WeakPolarHBondContact O-CE1 3.45Å; I184-L276 HydrophobicContact CD1-CD2 3.73Å; I184-L276 HydrophobicContact CG1-CD2 3.92Å; I184-P277 HydrophobicContact CG1-CG 4.39Å; I184-F282 HydrophobicContact CD1-CE1 3.67Å; I184-F282 HydrophobicContact CD1-CZ 4.2Å; I184-F282 HydrophobicContact CG1-CE1 4.37Å; I184-T760 HydrophobicContact CG2-CG2 3.93Å; I184-A761 HydrophobicContact CD1-CB 3.81Å
185	R	61	Low	78.6	Confident	89 Å²	89	41.8 Å²	41.8	34%	0.336	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-11.1	176.5	-64.2	-167	-178.3	-173	4.4	115.6	G183 S285 Q771	G183-R185 PolarHBondContact O-N 3.1Å; R185-S285 PolarHBondContact NH1-OG 3.05Å; R185-S285 PolarHBondContact NH2-OG 3Å; R185-Q771 PolarHBondContact O-NE2 3.29Å
186	Q	65.2	Low	78.6	Confident	105 Å²	105	43.3 Å²	43.3	49%	0.491	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-1.9	-170.6	-59.8	-168.5	-79.1	0	0	113.8	G183 R188 E189	G183-Q186 PolarHBondContact O-N 3.13Å; Q186-R188 VanDerWaalsContact C-N 3.28Å; Q186-R188 PolarHBondContact O-N 3.49Å; Q186-E189 HydrophobicContact CB-CG 4.49Å; Q186-E189 WeakPolarHBondContact CB-OE2 3.47Å; Q186-E189 PolarHBondContact NE2-OE2 2.75Å; Q186-E189 VanDerWaalsContact NE2-OE2 3.11Å; Q186-E189 VanDerWaalsContact O-CB 3.32Å; Q186-E189 WeakPolarHBondContact O-CB 3.45Å; Q186-E189 PolarHBondContact O-N 3.1Å
187	Y	64.9	Low	78.5	Confident	5 Å²	5	44.9 Å²	44.9	2%	0.02	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-65.7	-25.9	-172.5	75.9	-83.2	0	0	0	114.5	G183 I184 V274 K337 H775 D779	G183-Y187 PolarHBondContact O-N 2.76Å; I184-Y187 WeakPolarHBondContact O-CD1 3.38Å; I184-Y187 WeakPolarHBondContact O-CE1 3.45Å; Y187-V274 HydrophobicContact CD2-CG2 3.66Å; Y187-V274 HydrophobicContact CG-CG1 4.33Å; Y187-V274 HydrophobicContact CG-CG2 3.91Å; Y187-K337 HydrophobicContact CD2-CD 4.06Å; Y187-K337 HydrophobicContact CE1-CD 4.25Å; Y187-K337 HydrophobicContact CE2-CB 4.16Å; Y187-K337 HydrophobicContact CE2-CD 3.21Å; Y187-K337 HydrophobicContact CE2-CG 4.3Å; Y187-K337 WeakPolarHBondContact OH-CD 3.38Å; Y187-K337 PolarHBondContact OH-NZ 2.97Å; Y187-H775 AromaticContact CE1-CE1 3.74Å; Y187-H775 AromaticContact CZ-CE1 3.75Å; Y187-H775 PolarHBondContact OH-CE1 3Å; Y187-H775 PolarHBondContact OH-ND1 3.31Å; Y187-D779 PolarHBondContact OH-OD2 3.22Å
188	R	70.4	Confident	78.5	Confident	10 Å²	10	43.2 Å²	43.2	4%	0.038	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-80.8	-13.3	173.2	-68.8	-66.4	-170.5	170.1	-11	114	Q186 Q190 T191 P338 L774 D779	Q186-R188 VanDerWaalsContact C-N 3.28Å; Q186-R188 PolarHBondContact O-N 3.49Å; R188-Q190 PolarHBondContact O-N 3.23Å; R188-Q190 VanDerWaalsContact O-N 3.17Å; R188-T191 WeakPolarHBondContact O-CG2 3.35Å; R188-P338 PolarHBondContact NH1-O 3.22Å; R188-P338 PolarHBondContact NH2-O 3.04Å; R188-L774 HydrophobicContact CB-CB 3.72Å; R188-L774 WeakPolarHBondContact CB-O 3.47Å; R188-L774 WeakPolarHBondContact CD-O 3.24Å; R188-L774 HydrophobicContact CG-CB 4.46Å; R188-L774 WeakPolarHBondContact CG-O 3.26Å; R188-D779 IonicContact CZ-OD1 2.78Å; R188-D779 IonicContact CZ-OD2 3.08Å; R188-D779 VanDerWaalsContact CZ-OD2 3.26Å; R188-D779 IonicContact NE-OD2 3.16Å; R188-D779 PolarHBondContact NE-OD2 2.91Å; R188-D779 IonicContact NH2-OD1 2.66Å; R188-D779 PolarHBondContact NH2-OD1 3.27Å; R188-D779 IonicContact NH2-OD2 2.63Å; R188-D779 PolarHBondContact NH2-OD2 3.22Å
189	E	70.2	Confident	78.2	Confident	96 Å²	96	47.8 Å²	47.8	45%	0.449	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-69.2	-11	178.2	-59.7	169.5	-171.6	0	0	112.4	Q186 L774	Q186-E189 HydrophobicContact CB-CG 4.49Å; Q186-E189 WeakPolarHBondContact CB-OE2 3.47Å; Q186-E189 PolarHBondContact NE2-OE2 2.75Å; Q186-E189 VanDerWaalsContact NE2-OE2 3.11Å; Q186-E189 VanDerWaalsContact O-CB 3.32Å; Q186-E189 WeakPolarHBondContact O-CB 3.45Å; Q186-E189 PolarHBondContact O-N 3.1Å; E189-L774 HydrophobicContact CG-CD1 4.23Å
190	Q	70.4	Confident	77.9	Confident	85 Å²	85	49 Å²	49	40%	0.397	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-131.9	57.6	-177	-60.3	-174.3	6.5	0	0	112.9	R180 R188 T192 S271	R180-Q190 PolarHBondContact NE-O 3.02Å; R180-Q190 PolarHBondContact NH2-O 3.01Å; R188-Q190 PolarHBondContact O-N 3.23Å; R188-Q190 VanDerWaalsContact O-N 3.17Å; Q190-T192 VanDerWaalsContact C-N 3.3Å; Q190-T192 PolarHBondContact O-N 3Å; Q190-S271 WeakPolarHBondContact O-CB 3.18Å
191	T	73.3	Confident	77.6	Confident	66 Å²	66	48.7 Å²	48.7	41%	0.405	24%	0.243	S	C	.	.			trans	-62.9	-31.9	176	52.5	0	0	0	0	113.8	R188 S271 I339	R188-T191 WeakPolarHBondContact O-CG2 3.35Å; T191-S271 WeakPolarHBondContact O-CB 3.21Å; T191-S271 PolarHBondContact O-OG 3.45Å; T191-I339 HydrophobicContact CG2-CD1 4.25Å
192	T	80.1	Confident	77.4	Confident	45 Å²	45	47.6 Å²	47.6	28%	0.276	24%	0.237	S	C	.	.			trans	-65.8	162	-175.2	65.2	0	0	0	0	112.6	R180 Q190 E257	R180-T192 PolarHBondContact NH2-O 3.31Å; Q190-T192 VanDerWaalsContact C-N 3.3Å; Q190-T192 PolarHBondContact O-N 3Å; T192-E257 WeakPolarHBondContact CG2-OE1 3.31Å
193	T	87.9	Confident	78.1	Confident	16 Å²	16	47.9 Å²	47.9	10%	0.098	24%	0.235	C	C	.	.			trans	-133.8	121.3	171.7	-65	0	0	0	0	108.5	C258 L260 P270	T193-C258 WeakPolarHBondContact O-CA 3.42Å; T193-C258 WeakPolarHBondContact O-CB 3.1Å; T193-C258 PolarHBondContact O-N 3.22Å; T193-L260 HydrophobicContact CG2-CD2 4.1Å; T193-P270 HydrophobicContact CG2-CG 4.47Å
194	H	90.7	Very high	78.9	Confident	89 Å²	89	54.7 Å²	54.7	41%	0.412	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-88.3	165.1	179.7	-61.3	-82.9	0	0	0	112.2	H196 G255	H194-H196 PolarHBondContact O-N 3.42Å; H194-G255 PolarHBondContact ND1-O 2.87Å
195	H	93	Very high	80.1	Confident	25 Å²	25	55.6 Å²	55.6	12%	0.116	27%	0.269	C	S	.	.			trans	-66.1	130.3	176.2	-80.2	-117.7	0	0	0	111.5	W197 C238 E256 C258	H195-W197 HydrophobicContact CB-CD2 4.18Å; H195-W197 VanDerWaalsContact CB-CE2 3.44Å; H195-W197 HydrophobicContact CB-CG 4.44Å; H195-W197 HydrophobicContact CB-CZ2 3.72Å; H195-W197 VanDerWaalsContact CB-NE1 3.29Å; H195-W197 AromaticContact CE1-CH2 3.85Å; H195-W197 AromaticContact CE1-CZ2 3.74Å; H195-W197 AromaticContact CG-CE2 3.82Å; H195-W197 AromaticContact CG-CZ2 3.51Å; H195-W197 AromaticContact ND1-CE2 3.65Å; H195-W197 AromaticContact ND1-CH2 3.23Å; H195-W197 WeakPolarHBondContact ND1-CH2 3.26Å; H195-W197 AromaticContact ND1-CZ2 2.96Å; H195-W197 WeakPolarHBondContact ND1-CZ2 3.5Å; H195-C238 PolarHBondContact CE1-SG 3.36Å; H195-E256 PolarHBondContact CD2-O 2.61Å; H195-E256 PolarHBondContact N-O 2.83Å; H195-C258 HydrophobicContact CB-CB 4.41Å; H195-C258 WeakPolarHBondContact CD2-CA 3.16Å; H195-C258 WeakPolarHBondContact CD2-CB 3.48Å; H195-C258 PolarHBondContact CD2-N 2.68Å; H195-C258 WeakPolarHBondContact NE2-CA 3.38Å
196	H	93.6	Very high	81.4	Confident	35 Å²	35	57.1 Å²	57.1	16%	0.162	28%	0.278	C	S	.	.			trans	-100.4	87.7	171.4	-178	80	0	0	0	109.5	A174 C175 K176 H194 C235 A236	A174-H196 PolarHBondContact O-CE1 3.13Å; A174-H196 PolarHBondContact O-NE2 3.32Å; C175-H196 PolarHBondContact O-CE1 2.89Å; K176-H196 HydrophobicContact CB-CB 4.02Å; K176-H196 PolarHBondContact N-CE1 2.82Å; K176-H196 PolarHBondContact N-NE2 3.31Å; H194-H196 PolarHBondContact O-N 3.42Å; H196-C235 CarbonylContact O-C 3.59Å; H196-C235 WeakPolarHBondContact O-CA 3.47Å; H196-A236 PolarHBondContact O-N 3.47Å
197	W	93.4	Very high	82.7	Confident	34 Å²	34	52.2 Å²	52.2	13%	0.129	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	122.9	-178.4	-62.1	113.5	0	0	0	112	H195 L233 C235 Y242 F249 K253	H195-W197 HydrophobicContact CB-CD2 4.18Å; H195-W197 VanDerWaalsContact CB-CE2 3.44Å; H195-W197 HydrophobicContact CB-CG 4.44Å; H195-W197 HydrophobicContact CB-CZ2 3.72Å; H195-W197 VanDerWaalsContact CB-NE1 3.29Å; H195-W197 AromaticContact CE1-CH2 3.85Å; H195-W197 AromaticContact CE1-CZ2 3.74Å; H195-W197 AromaticContact CG-CE2 3.82Å; H195-W197 AromaticContact CG-CZ2 3.51Å; H195-W197 AromaticContact ND1-CE2 3.65Å; H195-W197 AromaticContact ND1-CH2 3.23Å; H195-W197 WeakPolarHBondContact ND1-CH2 3.26Å; H195-W197 AromaticContact ND1-CZ2 2.96Å; H195-W197 WeakPolarHBondContact ND1-CZ2 3.5Å; W197-L233 HydrophobicContact CB-CD2 4.19Å; W197-L233 HydrophobicContact CE3-CB 4.23Å; W197-C235 HydrophobicContact CD2-CB 4.4Å; W197-C235 HydrophobicContact CE3-CB 3.76Å; W197-C235 HydrophobicContact CH2-CB 4.06Å; W197-C235 HydrophobicContact CZ3-CB 3.57Å; W197-Y242 AromaticContact CH2-CD2 3.77Å; W197-Y242 HydrophobicContact CH2-CD2 3.77Å; W197-Y242 AromaticContact CH2-CE2 3.68Å; W197-Y242 HydrophobicContact CH2-CE2 3.68Å; W197-Y242 AromaticContact CZ3-CD2 3.83Å; W197-Y242 HydrophobicContact CZ3-CD2 3.83Å; W197-Y242 HydrophobicContact CZ3-CE2 4.17Å; W197-F249 AromaticContact CD1-CZ 3.78Å; W197-F249 AromaticContact CD2-CE2 3.64Å; W197-F249 HydrophobicContact CD2-CE2 3.64Å; W197-F249 AromaticContact CD2-CZ 3.91Å; W197-F249 HydrophobicContact CD2-CZ 3.91Å; W197-F249 AromaticContact CE2-CE2 3.46Å; W197-F249 VanDerWaalsContact CE2-CE2 3.46Å; W197-F249 AromaticContact CE2-CZ 3.8Å; W197-F249 AromaticContact CE3-CE2 3.99Å; W197-F249 HydrophobicContact CE3-CE2 3.99Å; W197-F249 HydrophobicContact CG-CE2 4.16Å; W197-F249 AromaticContact CG-CZ 3.93Å; W197-F249 HydrophobicContact CG-CZ 3.93Å; W197-F249 HydrophobicContact CH2-CE2 4.09Å; W197-F249 AromaticContact CZ2-CE2 3.71Å; W197-F249 HydrophobicContact CZ2-CE2 3.71Å; W197-F249 HydrophobicContact CZ2-CZ 4.43Å; W197-F249 HydrophobicContact CZ3-CE2 4.21Å; W197-F249 AromaticContact NE1-CE2 3.82Å; W197-F249 AromaticContact NE1-CZ 3.67Å; W197-K253 HydrophobicContact CZ2-CB 4.48Å; W197-K253 PolarHBondContact NE1-O 2.66Å
198	V	91.7	Very high	83.9	Confident	10 Å²	10	57.8 Å²	57.8	6%	0.061	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.4	176.7	-166.1	0	0	0	0	109.4	C155 L157 R200 L233 A234 A236	C155-V198 HydrophobicContact CB-CG2 3.92Å; L157-V198 HydrophobicContact CD1-CG1 4.34Å; V198-R200 VanDerWaalsContact CG1-NH1 3.29Å; V198-L233 WeakPolarHBondContact O-CA 3.43Å; V198-A234 PolarHBondContact N-O 3.35Å; V198-A234 PolarHBondContact O-N 2.73Å; V198-A236 HydrophobicContact CG2-CB 4.01Å
199	H	87.9	Confident	85	Confident	97 Å²	97	62.5 Å²	62.5	45%	0.449	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	136.7	174.8	-64.7	117.1	0	0	0	111.8	I230	H199-I230 HydrophobicContact CB-CD1 3.86Å; H199-I230 HydrophobicContact CB-CG1 4.14Å; H199-I230 HydrophobicContact CB-CG2 3.83Å
200	R	85.6	Confident	86	Confident	26 Å²	26	60.5 Å²	60.5	10%	0.098	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.4	-176.6	-61.9	-69.7	-162	-124.6	-8.7	112	C155 V198 E203 I230 V231 A232 A234	C155-R200 PolarHBondContact O-NH1 3.33Å; C155-R200 PolarHBondContact O-NH2 3.22Å; V198-R200 VanDerWaalsContact CG1-NH1 3.29Å; R200-E203 HydrophobicContact CB-CB 4.01Å; R200-E203 WeakPolarHBondContact CD-OE2 3.34Å; R200-E203 HydrophobicContact CG-CB 4.24Å; R200-E203 HydrophobicContact CG-CG 4.26Å; R200-E203 WeakPolarHBondContact CG-OE2 3.45Å; R200-E203 IonicContact CZ-OE2 3.6Å; R200-E203 IonicContact NE-OE2 3.11Å; R200-E203 PolarHBondContact NE-OE2 3.17Å; R200-E203 IonicContact NH2-OE2 2.67Å; R200-I230 CarbonylContact O-C 3.59Å; R200-I230 WeakPolarHBondContact O-CA 3.38Å; R200-V231 WeakPolarHBondContact O-CG2 3.45Å; R200-V231 PolarHBondContact O-N 2.89Å; R200-A232 HydrophobicContact CB-CB 4.09Å; R200-A232 PolarHBondContact N-O 2.77Å; R200-A232 PolarHBondContact O-N 3.01Å; R200-A234 HydrophobicContact CG-CB 4.14Å
201	K	78.8	Confident	86.9	Confident	32 Å²	32	58.5 Å²	58.5	14%	0.139	30%	0.301	C	S	.	.	S	Bend	trans	-85.2	-18.8	168.4	-59.2	175.4	178.1	178.1	0	113.3	L136 C137 N140	L136-K201 HydrophobicContact CB-CD 3.98Å; L136-K201 HydrophobicContact CD1-CB 4.29Å; L136-K201 HydrophobicContact CD1-CD 3.92Å; C137-K201 PolarHBondContact O-NZ 3.49Å; N140-K201 WeakPolarHBondContact OD1-CE 3.36Å; N140-K201 PolarHBondContact OD1-NZ 2.86Å
202	L	76.9	Confident	87.6	Confident	49 Å²	49	62.5 Å²	62.5	26%	0.257	31%	0.313	S	S	.	.	S	Bend	trans	-146.5	126.3	179.4	-178.3	70.2	0	0	0	106.5	A219	L202-A219 HydrophobicContact CD1-CB 3.46Å; L202-A219 VanDerWaalsContact CD1-CB 3.46Å
203	E	81.1	Confident	87.9	Confident	43 Å²	43	66.9 Å²	66.9	20%	0.201	33%	0.328	C	S	.	.			trans	-149	158.2	177.5	-166.1	50.1	-77.5	0	0	110.4	R200 A232 I241	R200-E203 HydrophobicContact CB-CB 4.01Å; R200-E203 WeakPolarHBondContact CD-OE2 3.34Å; R200-E203 HydrophobicContact CG-CB 4.24Å; R200-E203 HydrophobicContact CG-CG 4.26Å; R200-E203 WeakPolarHBondContact CG-OE2 3.45Å; R200-E203 IonicContact CZ-OE2 3.6Å; R200-E203 IonicContact NE-OE2 3.11Å; R200-E203 PolarHBondContact NE-OE2 3.17Å; R200-E203 IonicContact NH2-OE2 2.67Å; E203-A232 HydrophobicContact CB-CB 3.91Å; E203-A232 HydrophobicContact CG-CB 4.24Å; E203-I241 HydrophobicContact CG-CD1 3.94Å; E203-I241 HydrophobicContact CG-CG2 3.63Å
204	K	81.2	Confident	87.6	Confident	175 Å²	175	67.2 Å²	67.2	76%	0.761	33%	0.328	S	S	*	.			trans	-122.1	157.8	-179	-67.3	-173.3	177.8	-173.6	0	111.8	I241	K204-I241 WeakPolarHBondContact O-CD1 2.95Å
205	G	84.3	Confident	86.4	Confident	35 Å²	35	65.9 Å²	65.9	36%	0.361	33%	0.327	S	S	.	.	S	Bend	trans	99.8	-153.8	178.7	0	0	0	0	0	112.8	F213 F214	G205-F213 WeakPolarHBondContact O-CA 3.23Å; G205-F213 VanDerWaalsContact O-CD1 3.29Å; G205-F213 WeakPolarHBondContact O-CD1 3.33Å; G205-F214 WeakPolarHBondContact O-CD2 3.34Å; G205-F214 PolarHBondContact O-N 3.18Å
206	K	88.8	Confident	84.8	Confident	122 Å²	122	72 Å²	72	53%	0.53	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-114.7	143.2	-174.4	-65.2	178.8	176.1	-176.3	0	110.7	G211 F213	K206-G211 WeakPolarHBondContact CD-O 3.12Å; K206-G211 WeakPolarHBondContact CG-O 3.42Å; K206-F213 HydrophobicContact CD-CE1 4.43Å; K206-F213 HydrophobicContact CD-CE2 4.44Å; K206-F213 HydrophobicContact CD-CZ 4.26Å; K206-F213 HydrophobicContact CG-CD1 3.77Å; K206-F213 HydrophobicContact CG-CD2 4.28Å; K206-F213 HydrophobicContact CG-CE1 3.75Å; K206-F213 HydrophobicContact CG-CE2 4.28Å; K206-F213 HydrophobicContact CG-CG 4.05Å; K206-F213 HydrophobicContact CG-CZ 4.03Å
207	C	91.9	Very high	82.8	Confident	1 Å²	1	78.8 Å²	78.8	1%	0.007	39%	0.387	C	S	.	.			trans	-68.3	127.2	167.4	172.5	0	0	0	0	110.1	Q209 C210 G211 K212 F214 I241 H243	C207-Q209 VanDerWaalsContact C-N 3.31Å; C207-Q209 PolarHBondContact O-N 2.62Å; C207-C210 PolarHBondContact O-N 3.2Å; C207-C210 VanDerWaalsContact SG-SG 3.65Å; C207-G211 WeakPolarHBondContact O-CA 3.09Å; C207-G211 PolarHBondContact O-N 3.09Å; C207-K212 PolarHBondContact N-O 3.31Å; C207-F214 HydrophobicContact CB-CZ 4.3Å; C207-I241 CarbonylContact C-O 3.39Å; C207-I241 WeakPolarHBondContact CA-O 3.33Å; C207-H243 VanDerWaalsContact CB-CE1 3.49Å; C207-H243 WeakPolarHBondContact CB-CE1 3.42Å; C207-H243 VanDerWaalsContact CB-ND1 3.25Å; C207-H243 WeakPolarHBondContact CB-ND1 3.38Å; C207-H243 PolarHBondContact SG-N 3.38Å
208	K	91.3	Very high	80.9	Confident	122 Å²	122	80.4 Å²	80.4	53%	0.53	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-29.6	-178.9	-177.4	176.7	165.4	-159	0	113.3	E240 I241 Y242	K208-E240 HydrophobicContact CD-CB 4.31Å; K208-E240 VanDerWaalsContact CD-CD 3.49Å; K208-E240 HydrophobicContact CD-CG 3.82Å; K208-E240 VanDerWaalsContact CD-OE2 3.28Å; K208-E240 WeakPolarHBondContact CD-OE2 3.32Å; K208-E240 IonicContact NZ-OE1 3.72Å; K208-E240 PolarHBondContact NZ-OE1 2.93Å; K208-E240 IonicContact NZ-OE2 3Å; K208-E240 PolarHBondContact NZ-OE2 2.84Å; K208-I241 PolarHBondContact N-O 3.48Å; K208-Y242 HydrophobicContact CB-CE1 3.93Å; K208-Y242 HydrophobicContact CB-CE2 4.25Å; K208-Y242 WeakPolarHBondContact CD-OH 3.19Å
209	Q	92.1	Very high	79	Confident	110 Å²	110	81.1 Å²	81.1	51%	0.514	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-44.4	178.4	-164.8	69.3	27.1	0	0	113.2	C207 Y242 C248	C207-Q209 VanDerWaalsContact C-N 3.31Å; C207-Q209 PolarHBondContact O-N 2.62Å; Q209-Y242 HydrophobicContact CB-CD1 3.82Å; Q209-Y242 HydrophobicContact CB-CE1 3.77Å; Q209-C248 HydrophobicContact CB-CB 4.3Å
210	C	91.5	Very high	77.2	Confident	53 Å²	53	79.5 Å²	79.5	36%	0.358	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	2.4	-166.1	69	0	0	0	0	114.5	C207 K212	C207-C210 PolarHBondContact O-N 3.2Å; C207-C210 VanDerWaalsContact SG-SG 3.65Å; C210-K212 PolarHBondContact O-N 3.02Å
211	G	90.1	Very high	75.4	Confident	44 Å²	44	83.4 Å²	83.4	45%	0.454	42%	0.419	S	S	.	.			trans	68.2	-16.3	177.6	0	0	0	0	0	116	K206 C207	K206-G211 WeakPolarHBondContact CD-O 3.12Å; K206-G211 WeakPolarHBondContact CG-O 3.42Å; C207-G211 WeakPolarHBondContact O-CA 3.09Å; C207-G211 PolarHBondContact O-N 3.09Å
212	K	88.6	Confident	74.2	Confident	150 Å²	150	82 Å²	82	65%	0.652	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-68	142.2	-178.4	-63.9	-179.9	-176.2	-178	0	111.3	C207 C210	C207-K212 PolarHBondContact N-O 3.31Å; C210-K212 PolarHBondContact O-N 3.02Å
213	F	86	Confident	73.1	Confident	137 Å²	137	85.6 Å²	85.6	60%	0.601	43%	0.427	S	S	*	.	B	Isolated β-bridge	trans	-72.4	152.4	171.8	-72	-87.3	0	0	0	111.7	G205 K206	G205-F213 WeakPolarHBondContact O-CA 3.23Å; G205-F213 VanDerWaalsContact O-CD1 3.29Å; G205-F213 WeakPolarHBondContact O-CD1 3.33Å; K206-F213 HydrophobicContact CD-CE1 4.43Å; K206-F213 HydrophobicContact CD-CE2 4.44Å; K206-F213 HydrophobicContact CD-CZ 4.26Å; K206-F213 HydrophobicContact CG-CD1 3.77Å; K206-F213 HydrophobicContact CG-CD2 4.28Å; K206-F213 HydrophobicContact CG-CE1 3.75Å; K206-F213 HydrophobicContact CG-CE2 4.28Å; K206-F213 HydrophobicContact CG-CG 4.05Å; K206-F213 HydrophobicContact CG-CZ 4.03Å
214	F	81.6	Confident	71.5	Confident	23 Å²	23	89.6 Å²	89.6	10%	0.101	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-66.6	130.7	171.5	-69.9	-85.2	0	0	0	110.9	G205 C207 M216 A232 I241 H243	G205-F214 WeakPolarHBondContact O-CD2 3.34Å; G205-F214 PolarHBondContact O-N 3.18Å; C207-F214 HydrophobicContact CB-CZ 4.3Å; F214-M216 PolarHBondContact O-N 3.36Å; F214-A232 HydrophobicContact CD1-CB 4.04Å; F214-A232 HydrophobicContact CE1-CB 3.3Å; F214-A232 HydrophobicContact CZ-CB 3.66Å; F214-I241 HydrophobicContact CE2-CB 4.29Å; F214-I241 HydrophobicContact CE2-CG2 3.54Å; F214-I241 HydrophobicContact CZ-CG2 3.56Å; F214-H243 AromaticContact CD1-CD2 3.45Å; F214-H243 VanDerWaalsContact CD1-CD2 3.45Å; F214-H243 WeakPolarHBondContact CD1-CD2 3.35Å; F214-H243 AromaticContact CD1-NE2 3.64Å; F214-H243 HydrophobicContact CE1-CB 4.41Å; F214-H243 AromaticContact CE1-CD2 3.2Å; F214-H243 WeakPolarHBondContact CE1-CD2 3.49Å; F214-H243 AromaticContact CE1-CG 3.85Å; F214-H243 AromaticContact CE1-NE2 3.69Å; F214-H243 AromaticContact CZ-CD2 3.97Å
215	P	66	Low	69.9	Low	60 Å²	60	89.1 Å²	89.1	39%	0.39	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-65.1	119	-170.6	-25.9	36.2	0	0	0	114.1	K217 Q218 A219	P215-K217 PolarHBondContact O-N 3.46Å; P215-K217 VanDerWaalsContact O-N 3.15Å; P215-Q218 HydrophobicContact CB-CB 4.4Å; P215-Q218 HydrophobicContact CB-CG 4.31Å; P215-Q218 PolarHBondContact O-N 2.79Å; P215-A219 PolarHBondContact O-N 2.89Å; P215-A219 VanDerWaalsContact O-N 3.11Å
216	M	58	Low	68.3	Low	155 Å²	155	89.3 Å²	89.3	76%	0.764	45%	0.449	S	S	*	.	H	α-helix	trans	-58.6	-29	177	-174.8	166.7	166.9	0	0	112.9	F214 A219 V220	F214-M216 PolarHBondContact O-N 3.36Å; M216-A219 PolarHBondContact O-N 2.85Å; M216-V220 VanDerWaalsContact O-CG2 3.32Å; M216-V220 WeakPolarHBondContact O-CG2 3.32Å; M216-V220 PolarHBondContact O-N 3.19Å
217	K	52.8	Low	66.7	Low	176 Å²	176	85.6 Å²	85.6	77%	0.765	44%	0.438	S	S	*	.	H	α-helix	trans	-63.8	-43.5	173.2	-69.4	-171.6	176.8	-175.8	0	112.7	P215 V220 Q221	P215-K217 PolarHBondContact O-N 3.46Å; P215-K217 VanDerWaalsContact O-N 3.15Å; K217-V220 PolarHBondContact O-N 3.4Å; K217-Q221 PolarHBondContact O-N 2.62Å
218	Q	53.5	Low	65.1	Low	68 Å²	68	90.9 Å²	90.9	32%	0.318	46%	0.461	S	S	.	.	H	α-helix	trans	-66.5	-39.7	174.5	-71.8	-177.2	-60.8	0	0	111.1	P215 V220 Q221 S222	P215-Q218 HydrophobicContact CB-CB 4.4Å; P215-Q218 HydrophobicContact CB-CG 4.31Å; P215-Q218 PolarHBondContact O-N 2.79Å; Q218-V220 PolarHBondContact O-N 3.13Å; Q218-Q221 PolarHBondContact O-N 3.23Å; Q218-S222 WeakPolarHBondContact O-CB 3.31Å; Q218-S222 PolarHBondContact O-N 3.28Å; Q218-S222 PolarHBondContact O-OG 2.88Å
219	A	51.7	Low	64.1	Low	25 Å²	25	90.6 Å²	90.6	21%	0.207	46%	0.462	C	S	.	.	H	α-helix	trans	-65.4	-15.3	174.7	0	0	0	0	0	114.8	L202 P215 M216 K223	L202-A219 HydrophobicContact CD1-CB 3.46Å; L202-A219 VanDerWaalsContact CD1-CB 3.46Å; P215-A219 PolarHBondContact O-N 2.89Å; P215-A219 VanDerWaalsContact O-N 3.11Å; M216-A219 PolarHBondContact O-N 2.85Å; A219-K223 WeakPolarHBondContact O-CD 3.49Å; A219-K223 WeakPolarHBondContact O-CG 3.23Å
220	V	49.2	Very low	63.5	Low	63 Å²	63	87.6 Å²	87.6	38%	0.382	45%	0.449	S	S	.	.	H	α-helix	trans	-96.5	-42.5	173.4	166.7	0	0	0	0	110.6	M216 K217 Q218 S222 K223 L224	M216-V220 VanDerWaalsContact O-CG2 3.32Å; M216-V220 WeakPolarHBondContact O-CG2 3.32Å; M216-V220 PolarHBondContact O-N 3.19Å; K217-V220 PolarHBondContact O-N 3.4Å; Q218-V220 PolarHBondContact O-N 3.13Å; V220-S222 VanDerWaalsContact C-N 3.34Å; V220-S222 PolarHBondContact O-N 3.3Å; V220-K223 PolarHBondContact O-N 2.62Å; V220-K223 VanDerWaalsContact O-N 3.17Å; V220-L224 HydrophobicContact CG1-CD1 3.62Å; V220-L224 HydrophobicContact CG1-CG 4.27Å; V220-L224 WeakPolarHBondContact O-CG 3.27Å; V220-L224 PolarHBondContact O-N 2.81Å
221	Q	48.4	Very low	63.1	Low	108 Å²	108	86.2 Å²	86.2	51%	0.505	44%	0.439	S	S	.	.	H	α-helix	trans	-61.3	-39.1	173.1	-76.3	178.2	-53.2	0	0	112.4	K217 Q218 K223 L224 F225	K217-Q221 PolarHBondContact O-N 2.62Å; Q218-Q221 PolarHBondContact O-N 3.23Å; Q221-K223 PolarHBondContact O-N 2.93Å; Q221-L224 PolarHBondContact O-N 2.97Å; Q221-F225 HydrophobicContact CB-CD2 4.41Å; Q221-F225 HydrophobicContact CG-CD2 4.37Å; Q221-F225 WeakPolarHBondContact O-CB 3.22Å; Q221-F225 PolarHBondContact O-N 3.15Å
222	S	52.5	Low	63	Low	2 Å²	2	84.1 Å²	84.1	1%	0.014	42%	0.417	C	S	.	.	H	α-helix	trans	-67	-24.7	176.6	67.6	0	0	0	0	113.5	Q218 V220 G226 S227	Q218-S222 WeakPolarHBondContact O-CB 3.31Å; Q218-S222 PolarHBondContact O-N 3.28Å; Q218-S222 PolarHBondContact O-OG 2.88Å; V220-S222 VanDerWaalsContact C-N 3.34Å; V220-S222 PolarHBondContact O-N 3.3Å; S222-G226 VanDerWaalsContact O-CA 3.25Å; S222-G226 WeakPolarHBondContact O-CA 3.41Å; S222-G226 PolarHBondContact O-N 2.97Å; S222-S227 VanDerWaalsContact CA-OG 3.26Å; S222-S227 WeakPolarHBondContact CA-OG 3.43Å; S222-S227 WeakPolarHBondContact CB-OG 3.17Å
223	K	54.2	Low	63.1	Low	125 Å²	125	77.4 Å²	77.4	54%	0.543	39%	0.388	S	S	.	.	H	α-helix	trans	-84.1	-41.8	173.9	-71.3	-179.1	-179.5	-171.7	0	113.6	A219 V220 Q221	A219-K223 WeakPolarHBondContact O-CD 3.49Å; A219-K223 WeakPolarHBondContact O-CG 3.23Å; V220-K223 PolarHBondContact O-N 2.62Å; V220-K223 VanDerWaalsContact O-N 3.17Å; Q221-K223 PolarHBondContact O-N 2.93Å
224	L	47	Very low	63.4	Low	128 Å²	128	71 Å²	71	67%	0.67	36%	0.361	S	S	*	.	H	α-helix	trans	-81.5	-37.9	-176	-68.6	174.6	0	0	0	112.8	V220 Q221	V220-L224 HydrophobicContact CG1-CD1 3.62Å; V220-L224 HydrophobicContact CG1-CG 4.27Å; V220-L224 WeakPolarHBondContact O-CG 3.27Å; V220-L224 PolarHBondContact O-N 2.81Å; Q221-L224 PolarHBondContact O-N 2.97Å
225	F	47.7	Very low	64	Low	165 Å²	165	70 Å²	70	72%	0.724	36%	0.357	S	S	*	.	S	Bend	trans	-114	5	-176.1	-55.3	-78.3	0	0	0	113.1	Q221 S227	Q221-F225 HydrophobicContact CB-CD2 4.41Å; Q221-F225 HydrophobicContact CG-CD2 4.37Å; Q221-F225 WeakPolarHBondContact O-CB 3.22Å; Q221-F225 PolarHBondContact O-N 3.15Å; F225-S227 PolarHBondContact O-N 3.07Å
226	G	52.1	Low	65.4	Low	39 Å²	39	67.2 Å²	67.2	40%	0.402	34%	0.338	S	S	.	.			trans	64.5	31.3	173	0	0	0	0	0	115	S222 K228	S222-G226 VanDerWaalsContact O-CA 3.25Å; S222-G226 WeakPolarHBondContact O-CA 3.41Å; S222-G226 PolarHBondContact O-N 2.97Å; G226-K228 PolarHBondContact O-N 3.18Å
227	S	53.6	Low	67.1	Low	44 Å²	44	59.9 Å²	59.9	31%	0.308	30%	0.302	S	S	.	.			trans	-56.6	133.5	-174.1	73	0	0	0	0	112.4	S222 F225	S222-S227 VanDerWaalsContact CA-OG 3.26Å; S222-S227 WeakPolarHBondContact CA-OG 3.43Å; S222-S227 WeakPolarHBondContact CB-OG 3.17Å; F225-S227 PolarHBondContact O-N 3.07Å
228	K	59.4	Low	69	Low	112 Å²	112	52.1 Å²	52.1	49%	0.487	27%	0.27	S	S	.	.			trans	-83.4	-11.4	-171.5	-63.6	171	-178.9	166.9	0	113.7	E141 G226	E141-K228 HydrophobicContact CG-CD 4.44Å; E141-K228 IonicContact OE1-NZ 3.84Å; E141-K228 PolarHBondContact OE1-NZ 3.11Å; G226-K228 PolarHBondContact O-N 3.18Å
229	E	70.6	Confident	70.8	Confident	115 Å²	115	51.4 Å²	51.4	54%	0.537	27%	0.267	S	S	.	.			trans	-65.3	142	-170.2	-164.1	-174.6	176.9	0	0	112.9
230	I	78.3	Confident	72.8	Confident	48 Å²	48	52.3 Å²	52.3	25%	0.246	27%	0.266	C	S	.	.			trans	-87.1	115	172.3	-64.3	161.3	0	0	0	107.7	H199 R200 A232 N244	H199-I230 HydrophobicContact CB-CD1 3.86Å; H199-I230 HydrophobicContact CB-CG1 4.14Å; H199-I230 HydrophobicContact CB-CG2 3.83Å; R200-I230 CarbonylContact O-C 3.59Å; R200-I230 WeakPolarHBondContact O-CA 3.38Å; I230-A232 WeakPolarHBondContact CG2-O 3.43Å; I230-N244 HydrophobicContact CG2-CB 4.18Å; I230-N244 VanDerWaalsContact O-CB 3.31Å; I230-N244 WeakPolarHBondContact O-CB 3.47Å; I230-N244 PolarHBondContact O-ND2 3.32Å
231	V	82.8	Confident	74.8	Confident	24 Å²	24	50.7 Å²	50.7	15%	0.145	26%	0.255	C	S	.	.			trans	-93.3	-23.9	-177.7	-58.7	0	0	0	0	113.1	R200 N244	R200-V231 WeakPolarHBondContact O-CG2 3.45Å; R200-V231 PolarHBondContact O-N 2.89Å; V231-N244 PolarHBondContact O-N 3.09Å
232	A	88.3	Confident	77	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	158.3	-176.7	0	0	0	0	0	113.5	R200 E203 F214 I230 I241 Y242	R200-A232 HydrophobicContact CB-CB 4.09Å; R200-A232 PolarHBondContact N-O 2.77Å; R200-A232 PolarHBondContact O-N 3.01Å; E203-A232 HydrophobicContact CB-CB 3.91Å; E203-A232 HydrophobicContact CG-CB 4.24Å; F214-A232 HydrophobicContact CD1-CB 4.04Å; F214-A232 HydrophobicContact CE1-CB 3.3Å; F214-A232 HydrophobicContact CZ-CB 3.66Å; I230-A232 WeakPolarHBondContact CG2-O 3.43Å; A232-I241 HydrophobicContact CB-CG2 4.12Å; A232-Y242 CarbonylContact C-O 3.44Å; A232-Y242 WeakPolarHBondContact CA-O 3.38Å; A232-Y242 WeakPolarHBondContact CB-O 3.34Å
233	L	90.9	Very high	78.8	Confident	8 Å²	8	47.2 Å²	47.2	4%	0.042	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.8	160	-61.2	95.7	0	0	0	108.6	W197 V198 I241 Y242 N244 F249	W197-L233 HydrophobicContact CB-CD2 4.19Å; W197-L233 HydrophobicContact CE3-CB 4.23Å; V198-L233 WeakPolarHBondContact O-CA 3.43Å; L233-I241 WeakPolarHBondContact O-CA 3.17Å; L233-Y242 PolarHBondContact N-O 2.91Å; L233-Y242 PolarHBondContact O-N 3.11Å; L233-N244 HydrophobicContact CD1-CB 3.89Å; L233-F249 HydrophobicContact CD1-CB 4.26Å; L233-F249 HydrophobicContact CD1-CD1 3.98Å; L233-F249 HydrophobicContact CD1-CD2 4.45Å; L233-F249 HydrophobicContact CD1-CG 3.95Å; L233-F249 HydrophobicContact CD2-CD1 4.12Å; L233-F249 HydrophobicContact CD2-CE1 3.81Å; L233-F249 HydrophobicContact CD2-CE2 4.45Å; L233-F249 HydrophobicContact CD2-CZ 3.99Å
234	A	92.9	Very high	80.5	Confident	4 Å²	4	44.6 Å²	44.6	3%	0.033	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.3	178.7	0	0	0	0	0	110.6	V198 R200 E240 I241	V198-A234 PolarHBondContact N-O 3.35Å; V198-A234 PolarHBondContact O-N 2.73Å; R200-A234 HydrophobicContact CG-CB 4.14Å; A234-E240 CarbonylContact C-O 3.47Å; A234-E240 WeakPolarHBondContact CA-O 3.42Å; A234-I241 HydrophobicContact CB-CG1 4.26Å; A234-I241 HydrophobicContact CB-CG2 4.31Å
235	C	94.1	Very high	82.4	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.014	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	123.4	178.8	-177.3	0	0	0	0	111.2	H196 W197 W237 C238 H239 E240 C258	H196-C235 CarbonylContact O-C 3.59Å; H196-C235 WeakPolarHBondContact O-CA 3.47Å; W197-C235 HydrophobicContact CD2-CB 4.4Å; W197-C235 HydrophobicContact CE3-CB 3.76Å; W197-C235 HydrophobicContact CH2-CB 4.06Å; W197-C235 HydrophobicContact CZ3-CB 3.57Å; C235-W237 PolarHBondContact O-N 3.03Å; C235-W237 VanDerWaalsContact O-N 3.14Å; C235-C238 VanDerWaalsContact CB-SG 3.57Å; C235-C238 VanDerWaalsContact SG-SG 3.61Å; C235-H239 WeakPolarHBondContact O-CA 3.4Å; C235-H239 PolarHBondContact O-N 3.2Å; C235-E240 PolarHBondContact N-O 3.08Å; C235-C258 VanDerWaalsContact SG-SG 3.69Å
236	A	94.4	Very high	84.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	0.9	-179.9	0	0	0	0	0	114.9	C155 K176 H196 V198	C155-A236 HydrophobicContact CB-CB 4.14Å; K176-A236 HydrophobicContact CB-CB 4.28Å; K176-A236 HydrophobicContact CD-CB 3.84Å; K176-A236 VanDerWaalsContact CD-O 3.27Å; K176-A236 WeakPolarHBondContact CD-O 3.15Å; K176-A236 PolarHBondContact NZ-O 3Å; H196-A236 PolarHBondContact O-N 3.47Å; V198-A236 HydrophobicContact CG2-CB 4.01Å
237	W	94.4	Very high	85.9	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.008	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-76.1	171.6	-74.6	125.8	0	0	0	111.9	K176 P177 C235 H239 L260 I267 P270 N372	K176-W237 HydrophobicContact CB-CZ2 4.27Å; K176-W237 HydrophobicContact CD-CD2 3.9Å; K176-W237 HydrophobicContact CD-CE3 4.15Å; K176-W237 HydrophobicContact CD-CH2 3.98Å; K176-W237 HydrophobicContact CD-CZ2 3.69Å; K176-W237 HydrophobicContact CD-CZ3 4.21Å; K176-W237 HydrophobicContact CG-CH2 4.42Å; K176-W237 HydrophobicContact CG-CZ2 3.85Å; K176-W237 VanDerWaalsContact NZ-CE3 3.31Å; P177-W237 WeakPolarHBondContact O-CZ2 3.48Å; C235-W237 PolarHBondContact O-N 3.03Å; C235-W237 VanDerWaalsContact O-N 3.14Å; W237-H239 PolarHBondContact O-CD2 3.24Å; W237-H239 PolarHBondContact O-N 3.17Å; W237-L260 HydrophobicContact CB-CD2 4.09Å; W237-L260 HydrophobicContact CD2-CD2 4.18Å; W237-L260 HydrophobicContact CE3-CD2 4.18Å; W237-L260 HydrophobicContact CG-CD2 4.16Å; W237-I267 HydrophobicContact CE3-CG2 4.27Å; W237-I267 HydrophobicContact CZ3-CG2 3.91Å; W237-P270 HydrophobicContact CH2-CG 4.18Å; W237-P270 HydrophobicContact CZ2-CG 3.53Å; W237-N372 HydrophobicContact CH2-CB 3.72Å; W237-N372 HydrophobicContact CZ3-CB 3.95Å
238	C	92.8	Very high	87.6	Confident	12 Å²	12	46.8 Å²	46.8	8%	0.081	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-6.1	-177.6	61.4	0	0	0	0	115.4	H195 C235 E240 C258 L260	H195-C238 PolarHBondContact CE1-SG 3.36Å; C235-C238 VanDerWaalsContact CB-SG 3.57Å; C235-C238 VanDerWaalsContact SG-SG 3.61Å; C238-E240 HydrophobicContact CB-CG 4.17Å; C238-E240 PolarHBondContact O-N 3.38Å; C238-E240 VanDerWaalsContact O-N 3.15Å; C238-E240 WeakPolarHBondContact SG-CG 3.45Å; C238-C258 VanDerWaalsContact CB-SG 3.59Å; C238-C258 PolarHBondContact SG-SG 3.14Å; C238-L260 WeakPolarHBondContact CA-O 3.48Å
239	H	92.2	Very high	89.1	Confident	54 Å²	54	42.3 Å²	42.3	25%	0.25	22%	0.22	C	C	.	.			trans	59.8	20.1	-179.2	-65.1	-165.7	0	0	0	114	C235 W237 I241 H369	C235-H239 WeakPolarHBondContact O-CA 3.4Å; C235-H239 PolarHBondContact O-N 3.2Å; W237-H239 PolarHBondContact O-CD2 3.24Å; W237-H239 PolarHBondContact O-N 3.17Å; H239-I241 WeakPolarHBondContact O-CG1 3.49Å; H239-H369 AromaticContact CE1-CD2 3.81Å; H239-H369 AromaticContact CE1-CE1 3.63Å; H239-H369 AromaticContact CE1-CG 3.99Å; H239-H369 AromaticContact CE1-ND1 3.89Å; H239-H369 AromaticContact CE1-NE2 3.61Å; H239-H369 PolarHBondContact CE1-O 3.3Å; H239-H369 AromaticContact NE2-CE1 3.63Å; H239-H369 AromaticContact NE2-ND1 3.8Å; H239-H369 PolarHBondContact NE2-O 3.03Å
240	E	92.6	Very high	89.8	Confident	43 Å²	43	40.6 Å²	40.6	20%	0.201	21%	0.214	C	C	.	.			trans	-71	142.1	171.1	-66	-179.5	-169.1	0	0	111.4	K208 A234 C235 C238 Y242	K208-E240 HydrophobicContact CD-CB 4.31Å; K208-E240 VanDerWaalsContact CD-CD 3.49Å; K208-E240 HydrophobicContact CD-CG 3.82Å; K208-E240 VanDerWaalsContact CD-OE2 3.28Å; K208-E240 WeakPolarHBondContact CD-OE2 3.32Å; K208-E240 IonicContact NZ-OE1 3.72Å; K208-E240 PolarHBondContact NZ-OE1 2.93Å; K208-E240 IonicContact NZ-OE2 3Å; K208-E240 PolarHBondContact NZ-OE2 2.84Å; A234-E240 CarbonylContact C-O 3.47Å; A234-E240 WeakPolarHBondContact CA-O 3.42Å; C235-E240 PolarHBondContact N-O 3.08Å; C238-E240 HydrophobicContact CB-CG 4.17Å; C238-E240 PolarHBondContact O-N 3.38Å; C238-E240 VanDerWaalsContact O-N 3.15Å; C238-E240 WeakPolarHBondContact SG-CG 3.45Å; E240-Y242 HydrophobicContact CB-CE2 4.09Å; E240-Y242 PolarHBondContact OE2-OH 3.44Å
241	I	92.5	Very high	90	Very high	29 Å²	29	45.7 Å²	45.7	15%	0.149	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.8	-173.9	-42.5	-179.2	0	0	0	109.2	E203 K204 C207 K208 F214 A232 L233 A234 H239	E203-I241 HydrophobicContact CG-CD1 3.94Å; E203-I241 HydrophobicContact CG-CG2 3.63Å; K204-I241 WeakPolarHBondContact O-CD1 2.95Å; C207-I241 CarbonylContact C-O 3.39Å; C207-I241 WeakPolarHBondContact CA-O 3.33Å; K208-I241 PolarHBondContact N-O 3.48Å; F214-I241 HydrophobicContact CE2-CB 4.29Å; F214-I241 HydrophobicContact CE2-CG2 3.54Å; F214-I241 HydrophobicContact CZ-CG2 3.56Å; A232-I241 HydrophobicContact CB-CG2 4.12Å; L233-I241 WeakPolarHBondContact O-CA 3.17Å; A234-I241 HydrophobicContact CB-CG1 4.26Å; A234-I241 HydrophobicContact CB-CG2 4.31Å; H239-I241 WeakPolarHBondContact O-CG1 3.49Å
242	Y	93.1	Very high	90	Very high	12 Å²	12	47.6 Å²	47.6	5%	0.047	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.8	178.3	-68.6	-90.5	0	0	0	110.8	W197 K208 Q209 A232 L233 E240 C248 F249	W197-Y242 AromaticContact CH2-CD2 3.77Å; W197-Y242 HydrophobicContact CH2-CD2 3.77Å; W197-Y242 AromaticContact CH2-CE2 3.68Å; W197-Y242 HydrophobicContact CH2-CE2 3.68Å; W197-Y242 AromaticContact CZ3-CD2 3.83Å; W197-Y242 HydrophobicContact CZ3-CD2 3.83Å; W197-Y242 HydrophobicContact CZ3-CE2 4.17Å; K208-Y242 HydrophobicContact CB-CE1 3.93Å; K208-Y242 HydrophobicContact CB-CE2 4.25Å; K208-Y242 WeakPolarHBondContact CD-OH 3.19Å; Q209-Y242 HydrophobicContact CB-CD1 3.82Å; Q209-Y242 HydrophobicContact CB-CE1 3.77Å; A232-Y242 CarbonylContact C-O 3.44Å; A232-Y242 WeakPolarHBondContact CA-O 3.38Å; A232-Y242 WeakPolarHBondContact CB-O 3.34Å; L233-Y242 PolarHBondContact N-O 2.91Å; L233-Y242 PolarHBondContact O-N 3.11Å; E240-Y242 HydrophobicContact CB-CE2 4.09Å; E240-Y242 PolarHBondContact OE2-OH 3.44Å; Y242-C248 WeakPolarHBondContact CD1-O 3.41Å; Y242-F249 HydrophobicContact CD2-CD2 4.22Å; Y242-F249 HydrophobicContact CG-CD2 4.11Å
243	H	91.1	Very high	89.7	Confident	25 Å²	25	48.4 Å²	48.4	12%	0.116	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	141.2	167.4	-68.2	111.9	0	0	0	110	C207 F214 K245 C248	C207-H243 VanDerWaalsContact CB-CE1 3.49Å; C207-H243 WeakPolarHBondContact CB-CE1 3.42Å; C207-H243 VanDerWaalsContact CB-ND1 3.25Å; C207-H243 WeakPolarHBondContact CB-ND1 3.38Å; C207-H243 PolarHBondContact SG-N 3.38Å; F214-H243 AromaticContact CD1-CD2 3.45Å; F214-H243 VanDerWaalsContact CD1-CD2 3.45Å; F214-H243 WeakPolarHBondContact CD1-CD2 3.35Å; F214-H243 AromaticContact CD1-NE2 3.64Å; F214-H243 HydrophobicContact CE1-CB 4.41Å; F214-H243 AromaticContact CE1-CD2 3.2Å; F214-H243 WeakPolarHBondContact CE1-CD2 3.49Å; F214-H243 AromaticContact CE1-CG 3.85Å; F214-H243 AromaticContact CE1-NE2 3.69Å; F214-H243 AromaticContact CZ-CD2 3.97Å; H243-K245 PolarHBondContact O-N 2.9Å; H243-C248 HydrophobicContact CB-CB 3.89Å
244	N	88.8	Confident	89.3	Confident	70 Å²	70	51.9 Å²	51.9	37%	0.374	28%	0.276	S	S	.	.	S	Bend	trans	-74.7	68.8	172.8	-175.4	35.5	0	0	0	111	I230 V231 L233	I230-N244 HydrophobicContact CG2-CB 4.18Å; I230-N244 VanDerWaalsContact O-CB 3.31Å; I230-N244 WeakPolarHBondContact O-CB 3.47Å; I230-N244 PolarHBondContact O-ND2 3.32Å; V231-N244 PolarHBondContact O-N 3.09Å; L233-N244 HydrophobicContact CD1-CB 3.89Å
245	K	87	Confident	88.7	Confident	140 Å²	140	54.1 Å²	54.1	61%	0.609	30%	0.3	S	S	*	.	S	Bend	trans	-151.9	140.3	179.2	-59.9	-167.9	178.9	-161.4	0	108.6	H243 A247 C248 F249	H243-K245 PolarHBondContact O-N 2.9Å; K245-A247 VanDerWaalsContact C-N 3.27Å; K245-A247 PolarHBondContact O-N 3Å; K245-C248 WeakPolarHBondContact O-CA 3.45Å; K245-C248 PolarHBondContact O-N 2.88Å; K245-F249 PolarHBondContact O-N 3.16Å
246	E	86.1	Confident	88.5	Confident	175 Å²	175	58.2 Å²	58.2	82%	0.818	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-41	-176.1	-61.6	-175.3	141.8	0	0	113.5	C248 F249	E246-C248 PolarHBondContact O-N 2.84Å; E246-F249 VanDerWaalsContact CA-O 3.31Å; E246-F249 WeakPolarHBondContact CA-O 3.43Å; E246-F249 CarbonylContact O-C 3.53Å; E246-F249 PolarHBondContact O-N 2.85Å
247	A	87.8	Confident	88.4	Confident	94 Å²	94	63.3 Å²	63.3	78%	0.777	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	0.1	175.4	0	0	0	0	0	115.1	K245	K245-A247 VanDerWaalsContact C-N 3.27Å; K245-A247 PolarHBondContact O-N 3Å
248	C	89.3	Confident	88.2	Confident	13 Å²	13	63.6 Å²	63.6	9%	0.088	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-41.2	172.9	-75.4	0	0	0	0	111.8	Q209 Y242 H243 K245 E246 K253	Q209-C248 HydrophobicContact CB-CB 4.3Å; Y242-C248 WeakPolarHBondContact CD1-O 3.41Å; H243-C248 HydrophobicContact CB-CB 3.89Å; K245-C248 WeakPolarHBondContact O-CA 3.45Å; K245-C248 PolarHBondContact O-N 2.88Å; E246-C248 PolarHBondContact O-N 2.84Å; C248-K253 PolarHBondContact O-NZ 2.92Å
249	F	90.4	Very high	88.1	Confident	19 Å²	19	72.9 Å²	72.9	8%	0.083	38%	0.378	C	S	.	.			trans	-132.6	113.4	-177.1	-169.3	-88.7	0	0	0	109.8	W197 L233 Y242 K245 E246 K253 I254	W197-F249 AromaticContact CD1-CZ 3.78Å; W197-F249 AromaticContact CD2-CE2 3.64Å; W197-F249 HydrophobicContact CD2-CE2 3.64Å; W197-F249 AromaticContact CD2-CZ 3.91Å; W197-F249 HydrophobicContact CD2-CZ 3.91Å; W197-F249 AromaticContact CE2-CE2 3.46Å; W197-F249 VanDerWaalsContact CE2-CE2 3.46Å; W197-F249 AromaticContact CE2-CZ 3.8Å; W197-F249 AromaticContact CE3-CE2 3.99Å; W197-F249 HydrophobicContact CE3-CE2 3.99Å; W197-F249 HydrophobicContact CG-CE2 4.16Å; W197-F249 AromaticContact CG-CZ 3.93Å; W197-F249 HydrophobicContact CG-CZ 3.93Å; W197-F249 HydrophobicContact CH2-CE2 4.09Å; W197-F249 AromaticContact CZ2-CE2 3.71Å; W197-F249 HydrophobicContact CZ2-CE2 3.71Å; W197-F249 HydrophobicContact CZ2-CZ 4.43Å; W197-F249 HydrophobicContact CZ3-CE2 4.21Å; W197-F249 AromaticContact NE1-CE2 3.82Å; W197-F249 AromaticContact NE1-CZ 3.67Å; L233-F249 HydrophobicContact CD1-CB 4.26Å; L233-F249 HydrophobicContact CD1-CD1 3.98Å; L233-F249 HydrophobicContact CD1-CD2 4.45Å; L233-F249 HydrophobicContact CD1-CG 3.95Å; L233-F249 HydrophobicContact CD2-CD1 4.12Å; L233-F249 HydrophobicContact CD2-CE1 3.81Å; L233-F249 HydrophobicContact CD2-CE2 4.45Å; L233-F249 HydrophobicContact CD2-CZ 3.99Å; Y242-F249 HydrophobicContact CD2-CD2 4.22Å; Y242-F249 HydrophobicContact CG-CD2 4.11Å; K245-F249 PolarHBondContact O-N 3.16Å; E246-F249 VanDerWaalsContact CA-O 3.31Å; E246-F249 WeakPolarHBondContact CA-O 3.43Å; E246-F249 CarbonylContact O-C 3.53Å; E246-F249 PolarHBondContact O-N 2.85Å; F249-K253 HydrophobicContact CD2-CB 4.35Å; F249-K253 HydrophobicContact CD2-CD 4.08Å; F249-K253 HydrophobicContact CE2-CB 3.81Å; F249-K253 HydrophobicContact CE2-CD 4.32Å; F249-K253 HydrophobicContact CZ-CB 4.01Å; F249-I254 HydrophobicContact CE1-CD1 4.34Å; F249-I254 HydrophobicContact CE1-CG1 4Å; F249-I254 HydrophobicContact CZ-CG1 3.99Å
250	N	86.2	Confident	88.1	Confident	78 Å²	78	71.1 Å²	71.1	42%	0.417	37%	0.371	S	S	.	.			trans	-110	163.9	178.3	62.9	-8.8	0	0	0	110.6	A252 K253	N250-A252 PolarHBondContact O-N 3.02Å; N250-A252 VanDerWaalsContact O-N 3.15Å; N250-K253 PolarHBondContact O-N 2.69Å; N250-K253 WeakPolarHBondContact OD1-CG 3.43Å
251	Q	82.4	Confident	87.9	Confident	155 Å²	155	70.2 Å²	70.2	72%	0.724	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-60.2	-28.9	-173.6	-162	69	-2.9	0	0	113.8	K253 I254	Q251-K253 VanDerWaalsContact C-N 3.27Å; Q251-K253 PolarHBondContact O-N 2.69Å; Q251-I254 WeakPolarHBondContact O-CB 3.29Å; Q251-I254 PolarHBondContact O-N 2.91Å; Q251-I254 VanDerWaalsContact O-N 3.16Å
252	A	82.2	Confident	87.6	Confident	64 Å²	64	76 Å²	76	53%	0.529	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-56.8	-37.8	178.1	0	0	0	0	0	113	N250 I254 G255	N250-A252 PolarHBondContact O-N 3.02Å; N250-A252 VanDerWaalsContact O-N 3.15Å; A252-I254 PolarHBondContact O-N 3.32Å; A252-G255 PolarHBondContact O-N 2.88Å
253	K	81.6	Confident	87.3	Confident	17 Å²	17	77.8 Å²	77.8	7%	0.074	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-64.2	-7.7	179.9	-71.9	174.3	-178.8	-175.9	0	114.8	W197 C248 F249 N250 Q251 E256	W197-K253 HydrophobicContact CZ2-CB 4.48Å; W197-K253 PolarHBondContact NE1-O 2.66Å; C248-K253 PolarHBondContact O-NZ 2.92Å; F249-K253 HydrophobicContact CD2-CB 4.35Å; F249-K253 HydrophobicContact CD2-CD 4.08Å; F249-K253 HydrophobicContact CE2-CB 3.81Å; F249-K253 HydrophobicContact CE2-CD 4.32Å; F249-K253 HydrophobicContact CZ-CB 4.01Å; N250-K253 PolarHBondContact O-N 2.69Å; N250-K253 WeakPolarHBondContact OD1-CG 3.43Å; Q251-K253 VanDerWaalsContact C-N 3.27Å; Q251-K253 PolarHBondContact O-N 2.69Å; K253-E256 WeakPolarHBondContact CG-OE1 3.39Å
254	I	83.2	Confident	87.2	Confident	81 Å²	81	78.1 Å²	78.1	42%	0.415	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-80.1	-30.9	174.8	-59.7	178.5	0	0	0	111.1	F249 Q251 A252	F249-I254 HydrophobicContact CE1-CD1 4.34Å; F249-I254 HydrophobicContact CE1-CG1 4Å; F249-I254 HydrophobicContact CZ-CG1 3.99Å; Q251-I254 WeakPolarHBondContact O-CB 3.29Å; Q251-I254 PolarHBondContact O-N 2.91Å; Q251-I254 VanDerWaalsContact O-N 3.16Å; A252-I254 PolarHBondContact O-N 3.32Å
255	G	81.4	Confident	87.2	Confident	52 Å²	52	77.7 Å²	77.7	54%	0.536	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-20.9	176.4	0	0	0	0	0	114.5	H194 A252	H194-G255 PolarHBondContact ND1-O 2.87Å; A252-G255 PolarHBondContact O-N 2.88Å
256	E	89.6	Confident	87.4	Confident	88 Å²	88	71.5 Å²	71.5	41%	0.411	39%	0.393	S	S	.	.	S	Bend	trans	-57.3	146.5	-173.8	-73.7	175.2	-163.9	0	0	114.3	H195 K253	H195-E256 PolarHBondContact CD2-O 2.61Å; H195-E256 PolarHBondContact N-O 2.83Å; K253-E256 WeakPolarHBondContact CG-OE1 3.39Å
257	E	90.9	Very high	87.7	Confident	107 Å²	107	63.2 Å²	63.2	50%	0.5	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-77.4	127.5	175.5	-68.4	-174.4	-179.2	0	0	112.1	T192 R259	T192-E257 WeakPolarHBondContact CG2-OE1 3.31Å; E257-R259 PolarHBondContact O-N 2.92Å
258	C	91.9	Very high	88	Confident	7 Å²	7	58.8 Å²	58.8	5%	0.047	32%	0.317	C	S	.	.			trans	-85	103.2	178.8	-161.8	0	0	0	0	111.4	T193 H195 C235 C238 L260	T193-C258 WeakPolarHBondContact O-CA 3.42Å; T193-C258 WeakPolarHBondContact O-CB 3.1Å; T193-C258 PolarHBondContact O-N 3.22Å; H195-C258 HydrophobicContact CB-CB 4.41Å; H195-C258 WeakPolarHBondContact CD2-CA 3.16Å; H195-C258 WeakPolarHBondContact CD2-CB 3.48Å; H195-C258 PolarHBondContact CD2-N 2.68Å; H195-C258 WeakPolarHBondContact NE2-CA 3.38Å; C235-C258 VanDerWaalsContact SG-SG 3.69Å; C238-C258 VanDerWaalsContact CB-SG 3.59Å; C238-C258 PolarHBondContact SG-SG 3.14Å; C258-L260 PolarHBondContact O-N 3.37Å
259	R	90.6	Very high	88.1	Confident	207 Å²	207	58.9 Å²	58.9	78%	0.781	32%	0.318	S	S	*	.			trans	-68.9	23.9	172.2	-58.7	-176.2	-179.5	-85	-7.9	114.2	E257 G261 A264	E257-R259 PolarHBondContact O-N 2.92Å; R259-G261 PolarHBondContact O-N 2.87Å; R259-A264 WeakPolarHBondContact O-CB 3.43Å
260	L	90.8	Very high	88.1	Confident	18 Å²	18	58.1 Å²	58.1	9%	0.094	32%	0.315	C	S	.	.			trans	54.4	-1.5	175.6	-52.7	175.7	0	0	0	117.5	T193 W237 C238 C258 A264 I267 P269	T193-L260 HydrophobicContact CG2-CD2 4.1Å; W237-L260 HydrophobicContact CB-CD2 4.09Å; W237-L260 HydrophobicContact CD2-CD2 4.18Å; W237-L260 HydrophobicContact CE3-CD2 4.18Å; W237-L260 HydrophobicContact CG-CD2 4.16Å; C238-L260 WeakPolarHBondContact CA-O 3.48Å; C258-L260 PolarHBondContact O-N 3.37Å; L260-A264 HydrophobicContact CB-CB 3.77Å; L260-I267 HydrophobicContact CB-CD1 4.05Å; L260-I267 HydrophobicContact CD1-CB 4.09Å; L260-I267 HydrophobicContact CD1-CG2 3.9Å; L260-I267 HydrophobicContact CD2-CG2 4.45Å; L260-P269 HydrophobicContact CD1-CB 4.24Å
261	G	89.5	Confident	88.1	Confident	23 Å²	23	54.9 Å²	54.9	24%	0.237	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	71.7	-155.1	175	0	0	0	0	0	113.7	R259 Y263 A264	R259-G261 PolarHBondContact O-N 2.87Å; G261-Y263 PolarHBondContact O-N 2.7Å; G261-A264 WeakPolarHBondContact O-CB 3.33Å; G261-A264 PolarHBondContact O-N 2.73Å
262	N	85	Confident	88.4	Confident	151 Å²	151	47.8 Å²	47.8	81%	0.807	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-61.8	-5.7	-172.2	-62.6	-13.9	0	0	0	115.5
263	Y	87.3	Confident	88.7	Confident	49 Å²	49	44.7 Å²	44.7	19%	0.192	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-118.4	11.3	-178.5	-48.7	-63.2	0	0	0	112.4	G261 P265 I266 I267 L370 G455	G261-Y263 PolarHBondContact O-N 2.7Å; Y263-P265 VanDerWaalsContact C-CD 3.48Å; Y263-I266 HydrophobicContact CD1-CD1 4.2Å; Y263-I266 WeakPolarHBondContact O-CG1 3.42Å; Y263-I266 PolarHBondContact O-N 3.47Å; Y263-I267 WeakPolarHBondContact O-CG1 3.18Å; Y263-I267 PolarHBondContact O-N 2.77Å; Y263-I267 VanDerWaalsContact O-N 3.1Å; Y263-L370 HydrophobicContact CD2-CD2 4.14Å; Y263-L370 HydrophobicContact CE2-CD2 3.46Å; Y263-L370 VanDerWaalsContact CE2-CD2 3.46Å; Y263-G455 WeakPolarHBondContact OH-CA 3.45Å
264	A	89.1	Confident	89	Confident	32 Å²	32	44 Å²	44	26%	0.264	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-50.7	-43.5	-177.6	0	0	0	0	0	114.8	R259 L260 G261 I266 I267	R259-A264 WeakPolarHBondContact O-CB 3.43Å; L260-A264 HydrophobicContact CB-CB 3.77Å; G261-A264 WeakPolarHBondContact O-CB 3.33Å; G261-A264 PolarHBondContact O-N 2.73Å; A264-I266 PolarHBondContact O-N 2.75Å; A264-I266 VanDerWaalsContact O-N 3.16Å; A264-I267 PolarHBondContact O-N 3.42Å
265	P	88.1	Confident	89.2	Confident	61 Å²	61	41.3 Å²	41.3	40%	0.396	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-60.2	-26	177.5	-28.5	38.8	0	0	0	114.8	Y263 E343 I345	Y263-P265 VanDerWaalsContact C-CD 3.48Å; P265-E343 WeakPolarHBondContact CB-O 3.5Å; P265-I345 CarbonylContact O-C 3.6Å; P265-I345 VanDerWaalsContact O-C 3.26Å; P265-I345 PolarHBondContact O-N 3.45Å
266	I	91.6	Very high	89.1	Confident	10 Å²	10	39.7 Å²	39.7	5%	0.051	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-108.2	-8.7	-172.4	64.8	167.1	0	0	0	113.5	Y263 A264 I345 V347 L371 Q375 L458	Y263-I266 HydrophobicContact CD1-CD1 4.2Å; Y263-I266 WeakPolarHBondContact O-CG1 3.42Å; Y263-I266 PolarHBondContact O-N 3.47Å; A264-I266 PolarHBondContact O-N 2.75Å; A264-I266 VanDerWaalsContact O-N 3.16Å; I266-I345 WeakPolarHBondContact CA-O 3.37Å; I266-I345 WeakPolarHBondContact CG2-O 3.43Å; I266-V347 HydrophobicContact CB-CB 4.35Å; I266-V347 HydrophobicContact CB-CG2 3.86Å; I266-V347 HydrophobicContact CG2-CG2 3.82Å; I266-V347 PolarHBondContact O-N 3.48Å; I266-L371 HydrophobicContact CD1-CD2 4.06Å; I266-L371 HydrophobicContact CG1-CD2 4.15Å; I266-Q375 PolarHBondContact O-NE2 2.79Å; I266-L458 HydrophobicContact CD1-CB 3.61Å; I266-L458 HydrophobicContact CD1-CD1 4.26Å; I266-L458 HydrophobicContact CD1-CD2 4.19Å; I266-L458 HydrophobicContact CD1-CG 4.24Å
267	I	93.3	Very high	88.2	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.195	C	C	.	.			trans	-87.2	130.9	176.5	-68.5	165.6	0	0	0	109.2	W237 L260 Y263 A264 P269 L371	W237-I267 HydrophobicContact CE3-CG2 4.27Å; W237-I267 HydrophobicContact CZ3-CG2 3.91Å; L260-I267 HydrophobicContact CB-CD1 4.05Å; L260-I267 HydrophobicContact CD1-CB 4.09Å; L260-I267 HydrophobicContact CD1-CG2 3.9Å; L260-I267 HydrophobicContact CD2-CG2 4.45Å; Y263-I267 WeakPolarHBondContact O-CG1 3.18Å; Y263-I267 PolarHBondContact O-N 2.77Å; Y263-I267 VanDerWaalsContact O-N 3.1Å; A264-I267 PolarHBondContact O-N 3.42Å; I267-P269 WeakPolarHBondContact O-CD 3.41Å; I267-L371 HydrophobicContact CG1-CD2 4.06Å
268	V	93.6	Very high	86.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.189	C	C	.	.			trans	-86.1	111.3	166.6	172.5	0	0	0	0	108.6	W272 I273 P346 N372 Q375 F391	V268-W272 HydrophobicContact CB-CE3 4.28Å; V268-W272 HydrophobicContact CG1-CB 3.67Å; V268-W272 HydrophobicContact CG1-CD2 4.02Å; V268-W272 HydrophobicContact CG1-CE3 3.62Å; V268-W272 HydrophobicContact CG1-CG 4.11Å; V268-W272 HydrophobicContact CG2-CE3 3.97Å; V268-W272 HydrophobicContact CG2-CZ3 4.12Å; V268-I273 HydrophobicContact CG1-CD1 4.15Å; V268-I273 HydrophobicContact CG1-CG1 4.02Å; V268-P346 HydrophobicContact CG2-CB 3.57Å; V268-N372 VanDerWaalsContact O-CB 3.24Å; V268-N372 WeakPolarHBondContact O-CB 3.4Å; V268-N372 PolarHBondContact O-ND2 2.73Å; V268-Q375 HydrophobicContact CB-CG 3.91Å; V268-Q375 HydrophobicContact CG2-CG 4.11Å; V268-Q375 VanDerWaalsContact N-CD 3.26Å; V268-F391 HydrophobicContact CB-CE1 4.22Å; V268-F391 HydrophobicContact CG1-CE1 4.03Å; V268-F391 HydrophobicContact CG2-CD1 4.39Å; V268-F391 HydrophobicContact CG2-CE1 3.95Å
269	P	91.5	Very high	85	Confident	16 Å²	16	41.3 Å²	41.3	10%	0.104	21%	0.214	C	C	.	.			trans	-67.7	158.8	-175.7	28.6	-35.6	0	0	0	111.6	L260 I267 S271 W272	L260-P269 HydrophobicContact CD1-CB 4.24Å; I267-P269 WeakPolarHBondContact O-CD 3.41Å; P269-S271 PolarHBondContact O-N 2.76Å; P269-S271 VanDerWaalsContact O-N 3.15Å; P269-W272 HydrophobicContact CG-CB 4.49Å; P269-W272 VanDerWaalsContact CG-CD1 3.43Å; P269-W272 HydrophobicContact CG-CD2 4.24Å; P269-W272 HydrophobicContact CG-CG 3.81Å; P269-W272 PolarHBondContact O-N 3.39Å
270	P	90.6	Very high	83	Confident	3 Å²	3	35.1 Å²	35.1	2%	0.019	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-57.9	-28.2	177.7	-26.4	37.6	0	0	0	113.8	P177 R180 T193 W237 W272 I273	P177-P270 WeakPolarHBondContact O-CB 3.26Å; P177-P270 WeakPolarHBondContact O-CG 3.46Å; R180-P270 PolarHBondContact N-O 3.48Å; T193-P270 HydrophobicContact CG2-CG 4.47Å; W237-P270 HydrophobicContact CH2-CG 4.18Å; W237-P270 HydrophobicContact CZ2-CG 3.53Å; P270-W272 VanDerWaalsContact C-N 3.26Å; P270-W272 PolarHBondContact O-N 3.33Å; P270-I273 PolarHBondContact O-N 3.17Å; P270-I273 VanDerWaalsContact O-O 3.14Å
271	S	85.6	Confident	80.8	Confident	9 Å²	9	40.6 Å²	40.6	6%	0.063	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-67	-20.1	176.7	47.2	0	0	0	0	114.4	Q190 T191 P269	Q190-S271 WeakPolarHBondContact O-CB 3.18Å; T191-S271 WeakPolarHBondContact O-CB 3.21Å; T191-S271 PolarHBondContact O-OG 3.45Å; P269-S271 PolarHBondContact O-N 2.76Å; P269-S271 VanDerWaalsContact O-N 3.15Å
272	W	88.1	Confident	78.8	Confident	6 Å²	6	43.1 Å²	43.1	2%	0.023	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-80.7	-19.7	173.1	-72.8	18.8	0	0	0	113	V268 P269 P270 V336 K337 P338 I339 V344 P346 P395	V268-W272 HydrophobicContact CB-CE3 4.28Å; V268-W272 HydrophobicContact CG1-CB 3.67Å; V268-W272 HydrophobicContact CG1-CD2 4.02Å; V268-W272 HydrophobicContact CG1-CE3 3.62Å; V268-W272 HydrophobicContact CG1-CG 4.11Å; V268-W272 HydrophobicContact CG2-CE3 3.97Å; V268-W272 HydrophobicContact CG2-CZ3 4.12Å; P269-W272 HydrophobicContact CG-CB 4.49Å; P269-W272 VanDerWaalsContact CG-CD1 3.43Å; P269-W272 HydrophobicContact CG-CD2 4.24Å; P269-W272 HydrophobicContact CG-CG 3.81Å; P269-W272 PolarHBondContact O-N 3.39Å; P270-W272 VanDerWaalsContact C-N 3.26Å; P270-W272 PolarHBondContact O-N 3.33Å; W272-V336 HydrophobicContact CB-CG1 4.39Å; W272-V336 CarbonylContact O-C 3.51Å; W272-V336 VanDerWaalsContact O-CA 3.3Å; W272-V336 WeakPolarHBondContact O-CA 2.96Å; W272-K337 WeakPolarHBondContact CA-O 3.44Å; W272-K337 PolarHBondContact O-N 3.38Å; W272-P338 HydrophobicContact CD2-CB 4.14Å; W272-P338 HydrophobicContact CE3-CB 3.85Å; W272-P338 HydrophobicContact CE3-CG 4.15Å; W272-P338 HydrophobicContact CH2-CB 3.88Å; W272-P338 HydrophobicContact CZ2-CB 4.16Å; W272-P338 HydrophobicContact CZ3-CB 3.73Å; W272-P338 HydrophobicContact CZ3-CG 4.16Å; W272-I339 HydrophobicContact CZ2-CB 4.34Å; W272-I339 VanDerWaalsContact CZ2-O 3.31Å; W272-I339 WeakPolarHBondContact CZ2-O 3.44Å; W272-V344 HydrophobicContact CH2-CB 4.35Å; W272-V344 HydrophobicContact CH2-CG1 3.55Å; W272-V344 HydrophobicContact CZ2-CG1 3.96Å; W272-V344 HydrophobicContact CZ3-CG1 4.48Å; W272-P346 HydrophobicContact CZ3-CB 4.35Å; W272-P346 HydrophobicContact CZ3-CG 4.27Å; W272-P395 HydrophobicContact CH2-CG 4.47Å
273	I	90	Very high	76.8	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	111.6	-172.8	-49.5	-173.3	0	0	0	108.9	W116 Y179 R180 V268 P270 F334 V336 R374 F391	W116-I273 HydrophobicContact CZ3-CG2 4.23Å; Y179-I273 CarbonylContact C-O 3.51Å; Y179-I273 WeakPolarHBondContact CA-O 3.45Å; Y179-I273 WeakPolarHBondContact CB-O 3.33Å; R180-I273 PolarHBondContact N-O 3.47Å; V268-I273 HydrophobicContact CG1-CD1 4.15Å; V268-I273 HydrophobicContact CG1-CG1 4.02Å; P270-I273 PolarHBondContact O-N 3.17Å; P270-I273 VanDerWaalsContact O-O 3.14Å; I273-F334 HydrophobicContact CG2-CD1 3.98Å; I273-F334 HydrophobicContact CG2-CE1 4.49Å; I273-V336 HydrophobicContact CG1-CG2 4.35Å; I273-R374 HydrophobicContact CD1-CB 3.59Å; I273-R374 HydrophobicContact CD1-CG 4.4Å; I273-F391 HydrophobicContact CD1-CZ 4.15Å
274	V	86.8	Confident	74.7	Confident	2 Å²	2	47 Å²	47	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.3	-175.3	-174.2	0	0	0	0	109.1	Y187 F334 I335	Y187-V274 HydrophobicContact CD2-CG2 3.66Å; Y187-V274 HydrophobicContact CG-CG1 4.33Å; Y187-V274 HydrophobicContact CG-CG2 3.91Å; V274-F334 WeakPolarHBondContact O-CA 3.37Å; V274-I335 HydrophobicContact CB-CG2 3.98Å; V274-I335 PolarHBondContact N-O 2.84Å; V274-I335 PolarHBondContact O-N 3.38Å
275	K	86.9	Confident	72.2	Confident	25 Å²	25	49.2 Å²	49.2	11%	0.109	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	135	167.8	-176.1	174.9	156	-159.2	0	109.1	E118 A120 Y179 R180 D181 F334	E118-K275 WeakPolarHBondContact O-CE 3.45Å; E118-K275 PolarHBondContact O-NZ 2.89Å; A120-K275 PolarHBondContact O-NZ 2.92Å; Y179-K275 HydrophobicContact CD2-CB 3.71Å; Y179-K275 HydrophobicContact CD2-CD 4.49Å; Y179-K275 HydrophobicContact CE2-CB 3.62Å; Y179-K275 HydrophobicContact CE2-CD 3.62Å; Y179-K275 HydrophobicContact CE2-CG 4.28Å; R180-K275 PolarHBondContact O-N 3.42Å; D181-K275 IonicContact OD1-NZ 3.77Å; D181-K275 WeakPolarHBondContact OD2-CD 3.48Å; D181-K275 IonicContact OD2-NZ 2.81Å; D181-K275 PolarHBondContact OD2-NZ 2.73Å; K275-F334 HydrophobicContact CB-CD1 4.02Å; K275-F334 HydrophobicContact CB-CE1 3.63Å; K275-F334 HydrophobicContact CB-CZ 4.01Å; K275-F334 HydrophobicContact CD-CE1 4.43Å; K275-F334 HydrophobicContact CD-CZ 3.98Å; K275-F334 HydrophobicContact CG-CE1 4.09Å; K275-F334 HydrophobicContact CG-CE2 4.3Å; K275-F334 HydrophobicContact CG-CZ 3.95Å
276	L	79.4	Confident	69.9	Low	17 Å²	17	49.6 Å²	49.6	9%	0.089	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-91	138.8	-178.3	-63.7	171.8	0	0	0	109.8	I184 R332 A333 I335 T760	I184-L276 HydrophobicContact CD1-CD2 3.73Å; I184-L276 HydrophobicContact CG1-CD2 3.92Å; L276-R332 WeakPolarHBondContact CD1-O 3.45Å; L276-A333 PolarHBondContact N-O 3.2Å; L276-I335 HydrophobicContact CD1-CB 4.38Å; L276-I335 HydrophobicContact CD1-CG2 4.37Å; L276-I335 HydrophobicContact CD2-CG2 3.98Å; L276-I335 HydrophobicContact CG-CG2 4.27Å; L276-T760 WeakPolarHBondContact CD1-O 3.18Å; L276-T760 HydrophobicContact CD2-CG2 4.15Å
277	P	70.6	Confident	67.2	Low	44 Å²	44	60.8 Å²	60.8	29%	0.286	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-61.6	152.2	178.8	-22.2	32.2	0	0	0	112.9	I184 F282	I184-P277 HydrophobicContact CG1-CG 4.39Å; P277-F282 HydrophobicContact CB-CE1 3.84Å; P277-F282 HydrophobicContact CB-CE2 4.19Å; P277-F282 HydrophobicContact CB-CZ 3.65Å; P277-F282 HydrophobicContact CG-CE1 3.82Å; P277-F282 HydrophobicContact CG-CZ 4Å; P277-F282 WeakPolarHBondContact O-CE2 3.34Å; P277-F282 WeakPolarHBondContact O-CZ 3.34Å
278	T	63.8	Low	64.5	Low	63 Å²	63	65.8 Å²	65.8	39%	0.387	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-71.6	146.8	177.5	51.7	0	0	0	0	112	E118 G280 N281	E118-T278 HydrophobicContact CB-CG2 3.84Å; E118-T278 HydrophobicContact CG-CG2 4.42Å; E118-T278 WeakPolarHBondContact OE2-CG2 3.47Å; T278-G280 PolarHBondContact O-N 3.31Å; T278-G280 VanDerWaalsContact O-N 3.12Å; T278-N281 PolarHBondContact O-N 3.43Å
279	K	52.5	Low	61.4	Low	130 Å²	130	70.8 Å²	70.8	57%	0.565	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	115.3	179.7	-64	-170	-172.7	-174.3	0	110	E762	K279-E762 WeakPolarHBondContact CE-OE1 3.3Å; K279-E762 WeakPolarHBondContact CE-OE2 3.43Å; K279-E762 IonicContact NZ-OE1 3.48Å; K279-E762 PolarHBondContact NZ-OE1 2.87Å; K279-E762 IonicContact NZ-OE2 3.2Å; K279-E762 PolarHBondContact NZ-OE2 3.41Å
280	G	48.9	Very low	58.5	Low	77 Å²	77	76.4 Å²	76.4	79%	0.794	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	134.3	-34.1	-176.7	0	0	0	0	0	113.5	T278	T278-G280 PolarHBondContact O-N 3.31Å; T278-G280 VanDerWaalsContact O-N 3.12Å
281	N	44.8	Very low	55.8	Low	133 Å²	133	85.4 Å²	85.4	71%	0.711	46%	0.455	S	S	*	.			trans	-92	4.4	179.6	-95.5	-5.6	0	0	0	114.5	T278 K283	T278-N281 PolarHBondContact O-N 3.43Å; N281-K283 PolarHBondContact O-N 3.49Å
282	F	47.6	Very low	53.2	Low	76 Å²	76	91.7 Å²	91.7	33%	0.333	49%	0.488	S	S	.	.			trans	-74.1	82.3	178.1	-71.5	-74.7	0	0	0	112.2	I184 P277 S284	I184-F282 HydrophobicContact CD1-CE1 3.67Å; I184-F282 HydrophobicContact CD1-CZ 4.2Å; I184-F282 HydrophobicContact CG1-CE1 4.37Å; P277-F282 HydrophobicContact CB-CE1 3.84Å; P277-F282 HydrophobicContact CB-CE2 4.19Å; P277-F282 HydrophobicContact CB-CZ 3.65Å; P277-F282 HydrophobicContact CG-CE1 3.82Å; P277-F282 HydrophobicContact CG-CZ 4Å; P277-F282 WeakPolarHBondContact O-CE2 3.34Å; P277-F282 WeakPolarHBondContact O-CZ 3.34Å; F282-S284 PolarHBondContact O-N 3.37Å
283	K	43.2	Very low	50.5	Low	203 Å²	203	99.5 Å²	99.5	88%	0.883	53%	0.53	S	S	*	.			trans	-70.3	91.7	163.8	-67.5	-177.3	-179.8	178.2	0	109.4	N281	N281-K283 PolarHBondContact O-N 3.49Å
284	S	42	Very low	47.7	Very low	78 Å²	78	104.2 Å²	104.2	55%	0.545	57%	0.569	S	S	.	*			trans	-59.5	138.6	164	48.7	0	0	0	0	109.2	F282 I286	F282-S284 PolarHBondContact O-N 3.37Å; S284-I286 PolarHBondContact O-N 3.16Å
285	S	37.8	Very low	45	Very low	78 Å²	78	108.6 Å²	108.6	55%	0.545	61%	0.606	S	S	.	*	S	Bend	trans	-75.1	-0.9	-174.4	64.3	0	0	0	0	114.2	R185 R287	R185-S285 PolarHBondContact NH1-OG 3.05Å; R185-S285 PolarHBondContact NH2-OG 3Å; S285-R287 PolarHBondContact O-N 2.81Å
286	I	39.6	Very low	42.2	Very low	69 Å²	69	113.1 Å²	113.1	35%	0.354	64%	0.64	S	S	.	*			trans	-81.1	106.2	175.7	-54.2	179	0	0	0	107.5	S284 V288	S284-I286 PolarHBondContact O-N 3.16Å; I286-V288 HydrophobicContact CG2-CG2 3.74Å; I286-V288 PolarHBondContact O-N 3.29Å
287	R	35.7	Very low	39.7	Very low	246 Å²	246	116.5 Å²	116.5	93%	0.928	68%	0.679	S	S	*	*			trans	-71	74.4	168.1	-77	-175.5	172.3	179.3	-1.5	110	S285 S289	S285-R287 PolarHBondContact O-N 2.81Å; R287-S289 PolarHBondContact O-N 3.19Å; R287-S289 VanDerWaalsContact O-N 3.09Å
288	V	35.4	Very low	37.7	Very low	107 Å²	107	120.3 Å²	120.3	65%	0.648	71%	0.707	S	S	*	*			trans	-65.6	108.6	161.9	-176.5	0	0	0	0	107	I286 N290	I286-V288 HydrophobicContact CG2-CG2 3.74Å; I286-V288 PolarHBondContact O-N 3.29Å; V288-N290 PolarHBondContact O-N 3.15Å
289	S	29.1	Very low	35.9	Very low	104 Å²	104	121.2 Å²	121.2	73%	0.727	73%	0.729	S	S	*	*			trans	-76.5	88.5	176.6	48.3	0	0	0	0	109.5	R287 K291	R287-S289 PolarHBondContact O-N 3.19Å; R287-S289 VanDerWaalsContact O-N 3.09Å; S289-K291 PolarHBondContact O-N 2.89Å
290	N	31	Very low	34.7	Very low	134 Å²	134	119 Å²	119	72%	0.717	74%	0.743	S	S	*	*			trans	-62	88.8	167	-87.4	17.7	0	0	0	109.7	V288 N292	V288-N290 PolarHBondContact O-N 3.15Å; N290-N292 PolarHBondContact O-N 2.99Å; N290-N292 VanDerWaalsContact O-N 3.1Å
291	K	32	Very low	33.6	Very low	192 Å²	192	119.5 Å²	119.5	84%	0.835	75%	0.748	S	S	*	*			trans	-65.7	102.6	157.9	-82.8	-173.1	172.8	-178.4	0	107.1	S289 N293	S289-K291 PolarHBondContact O-N 2.89Å; K291-N293 PolarHBondContact O-N 3.25Å
292	N	32.4	Very low	32.7	Very low	141 Å²	141	117.1 Å²	117.1	75%	0.754	76%	0.755	S	S	*	*			trans	-59.4	121.2	167.6	-71.5	-14.4	0	0	0	108.7	N290 A294	N290-N292 PolarHBondContact O-N 2.99Å; N290-N292 VanDerWaalsContact O-N 3.1Å; N292-A294 PolarHBondContact O-N 3.41Å
293	N	30.2	Very low	31.7	Very low	171 Å²	171	118.5 Å²	118.5	91%	0.914	78%	0.781	S	S	*	*			trans	-69.9	111.2	162.4	-82.3	-12.1	0	0	0	107.9	K291	K291-N293 PolarHBondContact O-N 3.25Å
294	A	32.1	Very low	30.9	Very low	99 Å²	99	112.9 Å²	112.9	82%	0.818	78%	0.78	S	S	*	*			trans	-114.6	93.9	179.3	0	0	0	0	0	110.3	N292	N292-A294 PolarHBondContact O-N 3.41Å
295	A	29.5	Very low	30.1	Very low	94 Å²	94	113 Å²	113	78%	0.777	79%	0.794	S	S	*	*			trans	-162.6	144.1	164.3	0	0	0	0	0	107.5
296	S	29	Very low	29.5	Very low	120 Å²	120	113.4 Å²	113.4	84%	0.839	81%	0.81	S	S	*	*			cis	-177	130.3	-16.4	45.8	0	0	0	0	105.5
297	G	27.2	Very low	28.8	Very low	88 Å²	88	115.6 Å²	115.6	91%	0.907	84%	0.839	S	S	*	*			trans	166.1	94.7	-179	0	0	0	0	0	113.8
298	S	28.3	Very low	28.4	Very low	123 Å²	123	107.7 Å²	107.7	86%	0.86	83%	0.834	S	S	*	*			trans	-105.4	138.4	-179.4	53.8	0	0	0	0	112.4
299	G	26	Very low	27.9	Very low	83 Å²	83	106.8 Å²	106.8	86%	0.856	85%	0.846	S	S	*	*			trans	98.3	163.6	155.4	0	0	0	0	0	116.8
300	G	26.3	Very low	27.7	Very low	84 Å²	84	105.6 Å²	105.6	87%	0.866	85%	0.85	S	S	*	*			trans	110.3	98.4	-179.8	0	0	0	0	0	112.9
301	G	25.7	Very low	27.4	Very low	86 Å²	86	103.5 Å²	103.5	89%	0.887	86%	0.86	S	S	*	*			trans	-91.2	160.8	167	0	0	0	0	0	111.7
302	G	27.3	Very low	27.1	Very low	83 Å²	83	97.9 Å²	97.9	86%	0.856	86%	0.856	S	S	*	*			trans	-159.2	139.5	174	0	0	0	0	0	110.2
303	A	26.6	Very low	26.9	Very low	106 Å²	106	101 Å²	101	88%	0.876	86%	0.863	S	S	*	*			trans	-122.1	161.1	-173.1	0	0	0	0	0	112.2
304	G	25.8	Very low	26.6	Very low	85 Å²	85	97.9 Å²	97.9	88%	0.876	86%	0.855	S	S	*	*			trans	87.4	153.4	-178.3	0	0	0	0	0	113.4
305	G	25.6	Very low	26.4	Very low	81 Å²	81	103.1 Å²	103.1	84%	0.835	86%	0.86	S	S	*	*			cis	141.4	153.5	-2.8	0	0	0	0	0	112
306	G	25.1	Very low	26.3	Very low	86 Å²	86	109 Å²	109	89%	0.887	87%	0.868	S	S	*	*			trans	93.6	126.9	171.7	0	0	0	0	0	115.1
307	A	25.5	Very low	26.1	Very low	115 Å²	115	112.1 Å²	112.1	95%	0.95	87%	0.869	S	S	*	*			trans	-84.5	168.6	170.5	0	0	0	0	0	111.7
308	G	25.5	Very low	26.1	Very low	80 Å²	80	114.8 Å²	114.8	83%	0.825	87%	0.868	S	S	*	*			trans	176.1	102.6	169.5	0	0	0	0	0	112.5
309	G	25.6	Very low	26.2	Very low	87 Å²	87	118.2 Å²	118.2	90%	0.897	87%	0.87	S	S	*	*			trans	-86.8	178.3	-178.8	0	0	0	0	0	114
310	G	24.9	Very low	26.3	Very low	80 Å²	80	126 Å²	126	83%	0.825	87%	0.874	S	S	*	*			trans	156.8	59.8	161.2	0	0	0	0	0	121.9
311	G	25.1	Very low	26.4	Very low	89 Å²	89	133.7 Å²	133.7	92%	0.918	88%	0.877	S	S	*	*			trans	70	179.5	149.8	0	0	0	0	0	119.3
312	G	25.7	Very low	26.6	Very low	74 Å²	74	138.8 Å²	138.8	76%	0.763	88%	0.877	S	S	*	*			trans	153.8	-20.4	162.2	0	0	0	0	0	122.6
313	K	27.6	Very low	26.8	Very low	206 Å²	206	143.2 Å²	143.2	90%	0.896	87%	0.873	S	S	*	*			trans	56.9	136.5	171.2	-77.4	179.5	175.9	174.7	0	121
314	S	24.7	Very low	27	Very low	107 Å²	107	141 Å²	141	75%	0.748	86%	0.861	S	S	*	*			trans	80.1	90.8	140	-63.1	0	0	0	0	123.2
315	K	28.3	Very low	27.2	Very low	209 Å²	209	146.8 Å²	146.8	91%	0.909	86%	0.862	S	S	*	*				31.1	123	122.6	-65.9	178.1	176.3	176.8	0	119.9
316	K	26.9	Very low	27.5	Very low	217 Å²	217	149.6 Å²	149.6	94%	0.943	85%	0.853	S	S	*	*			trans	-137	150.7	131.3	-141.7	170.4	-172.8	176.9	0	110
317	Q	25.3	Very low	27.9	Very low	186 Å²	186	154.6 Å²	154.6	87%	0.869	85%	0.854	S	S	*	*			trans	-88.2	148.5	-169.4	-68.3	168.2	-46.5	0	0	113.1
318	T	27.3	Very low	28.3	Very low	143 Å²	143	158.7 Å²	158.7	88%	0.877	85%	0.85	S	S	*	*			trans	-141.3	135	149.7	-43.8	0	0	0	0	108.4
319	Q	28.7	Very low	29.4	Very low	195 Å²	195	164.1 Å²	164.1	91%	0.911	85%	0.851	S	S	*	*			trans	-75.3	127.3	-169.2	-65.5	172.4	-11.8	0	0	111.9
320	R	28.9	Very low	30.5	Very low	247 Å²	247	168.3 Å²	168.3	93%	0.932	85%	0.847	S	S	*	*			trans	-91.3	109.1	165.1	-102.6	-174.2	171.9	-176.7	-1.9	110.3	Q322	R320-Q322 PolarHBondContact O-N 2.67Å
321	R	28.8	Very low	32.1	Very low	246 Å²	246	168.3 Å²	168.3	93%	0.928	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-52.7	121.8	168.8	-154.2	173.1	-176.4	178.7	-0.4	108.8	K323	R321-K323 PolarHBondContact O-N 3.25Å
322	Q	29.7	Very low	34.4	Very low	193 Å²	193	170.9 Å²	170.9	90%	0.902	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-66.2	118.4	178.7	-70.3	-177.1	-3.9	0	0	109.5	R320	R320-Q322 PolarHBondContact O-N 2.67Å
323	K	31.8	Very low	37.2	Very low	175 Å²	175	168.3 Å²	168.3	76%	0.761	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-81	132.2	168	-163.6	-173.7	-179.3	-157.5	0	107.9	R321	R321-K323 PolarHBondContact O-N 3.25Å
324	G	30.3	Very low	40.1	Very low	61 Å²	61	158.6 Å²	158.6	63%	0.629	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-55	140.3	179.6	0	0	0	0	0	112.2	E326	G324-E326 PolarHBondContact O-N 3.18Å; G324-E326 VanDerWaalsContact O-N 3.13Å
325	K	29.2	Very low	42.9	Very low	206 Å²	206	154.9 Å²	154.9	90%	0.896	72%	0.715	S	S	*	*			trans	-84.2	83.9	-179.6	-169.8	-175.4	-177.7	-172.6	0	109.3	E327	K325-E327 PolarHBondContact O-N 3.33Å
326	E	33.5	Very low	45.7	Very low	140 Å²	140	145.2 Å²	145.2	65%	0.654	67%	0.674	S	S	*	*			trans	-53	128	174.8	-73.2	153.5	177.4	0	0	110.6	G324 K328	G324-E326 PolarHBondContact O-N 3.18Å; G324-E326 VanDerWaalsContact O-N 3.13Å; E326-K328 PolarHBondContact O-N 2.93Å; E326-K328 VanDerWaalsContact O-N 3.14Å
327	E	32.1	Very low	48.4	Very low	191 Å²	191	135.1 Å²	135.1	89%	0.893	63%	0.63	S	S	*	*			trans	-68.9	108.8	175.5	-69	-168.4	135.4	0	0	109.7	K325 K329	K325-E327 PolarHBondContact O-N 3.33Å; E327-K329 PolarHBondContact O-N 3.04Å
328	K	35.3	Very low	51.1	Low	200 Å²	200	126.3 Å²	126.3	87%	0.87	59%	0.589	S	S	*	*			trans	-63.8	104	167.7	-76.4	-171.7	173.2	-174.5	0	108.9	E326 E330	E326-K328 PolarHBondContact O-N 2.93Å; E326-K328 VanDerWaalsContact O-N 3.14Å; K328-E330 PolarHBondContact O-N 2.97Å
329	K	46.9	Very low	53.6	Low	195 Å²	195	121.6 Å²	121.6	85%	0.848	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-51.7	124.8	165.7	-87.1	178	174.7	169.6	0	109.2	E327	E327-K329 PolarHBondContact O-N 3.04Å
330	E	50.6	Low	55.5	Low	174 Å²	174	113 Å²	113	81%	0.813	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-66.5	145.8	172.2	-65.2	-173.3	140	0	0	110.6	K328 R332	K328-E330 PolarHBondContact O-N 2.97Å; E330-R332 PolarHBondContact O-N 2.87Å
331	P	57.8	Low	57.6	Low	81 Å²	81	102.7 Å²	102.7	53%	0.526	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-63.5	117.2	177.2	24.7	-32.7	0	0	0	110.6	A333 E762	P331-A333 PolarHBondContact O-N 2.93Å; P331-E762 WeakPolarHBondContact CB-OE1 3.43Å
332	R	73.1	Confident	59.4	Low	142 Å²	142	93.8 Å²	93.8	54%	0.536	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-68.6	126.1	172.2	-67.1	-175.4	174.5	-162.3	-3.7	109.2	L276 E330 F334 D389	L276-R332 WeakPolarHBondContact CD1-O 3.45Å; E330-R332 PolarHBondContact O-N 2.87Å; R332-F334 VanDerWaalsContact C-N 3.31Å; R332-D389 PolarHBondContact NH1-O 2.79Å; R332-D389 VanDerWaalsContact NH1-O 3.14Å; R332-D389 IonicContact NH2-OD1 2.93Å
333	A	84.4	Confident	61.4	Low	21 Å²	21	92 Å²	92	17%	0.174	45%	0.451	C	S	.	.	S	Bend	trans	-81.1	-10.3	174.8	0	0	0	0	0	113.6	E118 L276 P331	E118-A333 HydrophobicContact CB-CB 4.41Å; L276-A333 PolarHBondContact N-O 3.2Å; P331-A333 PolarHBondContact O-N 2.93Å
334	F	87.7	Confident	63.8	Low	1 Å²	1	85 Å²	85	0%	0.004	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	153.1	-178.4	-77	-91.6	0	0	0	111.6	W116 A120 Y179 I273 V274 K275 R332 M390	W116-F334 HydrophobicContact CE3-CB 3.92Å; W116-F334 HydrophobicContact CE3-CD1 4.3Å; W116-F334 AromaticContact CE3-CD2 3.9Å; W116-F334 HydrophobicContact CE3-CD2 3.9Å; W116-F334 AromaticContact CE3-CG 3.79Å; W116-F334 HydrophobicContact CE3-CG 3.79Å; W116-F334 HydrophobicContact CZ3-CB 4.04Å; W116-F334 HydrophobicContact CZ3-CD1 4.29Å; W116-F334 HydrophobicContact CZ3-CG 4.09Å; W116-F334 WeakPolarHBondContact O-CD2 3.34Å; A120-F334 HydrophobicContact CB-CE2 3.94Å; A120-F334 HydrophobicContact CB-CZ 3.72Å; Y179-F334 HydrophobicContact CD1-CE1 4.24Å; Y179-F334 AromaticContact CD2-CE1 3.65Å; Y179-F334 HydrophobicContact CD2-CE1 3.65Å; Y179-F334 HydrophobicContact CD2-CZ 4.28Å; Y179-F334 HydrophobicContact CE2-CE1 4.1Å; Y179-F334 HydrophobicContact CE2-CZ 4.3Å; Y179-F334 AromaticContact CG-CE1 3.73Å; Y179-F334 HydrophobicContact CG-CE1 3.73Å; Y179-F334 HydrophobicContact CG-CZ 4.41Å; I273-F334 HydrophobicContact CG2-CD1 3.98Å; I273-F334 HydrophobicContact CG2-CE1 4.49Å; V274-F334 WeakPolarHBondContact O-CA 3.37Å; K275-F334 HydrophobicContact CB-CD1 4.02Å; K275-F334 HydrophobicContact CB-CE1 3.63Å; K275-F334 HydrophobicContact CB-CZ 4.01Å; K275-F334 HydrophobicContact CD-CE1 4.43Å; K275-F334 HydrophobicContact CD-CZ 3.98Å; K275-F334 HydrophobicContact CG-CE1 4.09Å; K275-F334 HydrophobicContact CG-CE2 4.3Å; K275-F334 HydrophobicContact CG-CZ 3.95Å; R332-F334 VanDerWaalsContact C-N 3.31Å; F334-M390 HydrophobicContact CB-CE 3.85Å; F334-M390 HydrophobicContact CB-SD 4.22Å
335	I	84.9	Confident	66.6	Low	29 Å²	29	82.9 Å²	82.9	15%	0.149	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	147	168	-171	168.1	0	0	0	109.9	V274 L276 K337 T760	V274-I335 HydrophobicContact CB-CG2 3.98Å; V274-I335 PolarHBondContact N-O 2.84Å; V274-I335 PolarHBondContact O-N 3.38Å; L276-I335 HydrophobicContact CD1-CB 4.38Å; L276-I335 HydrophobicContact CD1-CG2 4.37Å; L276-I335 HydrophobicContact CD2-CG2 3.98Å; L276-I335 HydrophobicContact CG-CG2 4.27Å; I335-K337 HydrophobicContact CD1-CG 4.42Å; I335-K337 HydrophobicContact CG1-CG 4.36Å; I335-K337 HydrophobicContact CG2-CG 4.5Å; I335-T760 HydrophobicContact CD1-CG2 4.46Å; I335-T760 HydrophobicContact CG2-CG2 4.49Å
336	V	87.2	Confident	69.6	Low	6 Å²	6	73 Å²	73	4%	0.036	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.6	168.1	-177.5	0	0	0	0	108.8	W272 I273 P338 M390 F391	W272-V336 HydrophobicContact CB-CG1 4.39Å; W272-V336 CarbonylContact O-C 3.51Å; W272-V336 VanDerWaalsContact O-CA 3.3Å; W272-V336 WeakPolarHBondContact O-CA 2.96Å; I273-V336 HydrophobicContact CG1-CG2 4.35Å; V336-P338 HydrophobicContact CG1-CG 4.42Å; V336-M390 WeakPolarHBondContact CB-O 2.98Å; V336-M390 HydrophobicContact CG2-CG 3.73Å; V336-M390 HydrophobicContact CG2-SD 4Å; V336-F391 HydrophobicContact CG1-CD1 4.26Å; V336-F391 HydrophobicContact CG1-CE1 4.33Å; V336-F391 HydrophobicContact CG2-CD1 4.31Å; V336-F391 HydrophobicContact CG2-CD2 4.27Å; V336-F391 HydrophobicContact CG2-CE1 4.11Å; V336-F391 HydrophobicContact CG2-CE2 4.04Å; V336-F391 HydrophobicContact CG2-CG 4.39Å; V336-F391 HydrophobicContact CG2-CZ 3.97Å
337	K	82.7	Confident	72.5	Confident	5 Å²	5	66.4 Å²	66.4	2%	0.022	32%	0.322	C	S	.	.			trans	-123.4	93.1	177.7	-77.5	-169.3	162.3	-169.4	0	109.5	Y187 W272 I335 D757 T760 D779	Y187-K337 HydrophobicContact CD2-CD 4.06Å; Y187-K337 HydrophobicContact CE1-CD 4.25Å; Y187-K337 HydrophobicContact CE2-CB 4.16Å; Y187-K337 HydrophobicContact CE2-CD 3.21Å; Y187-K337 HydrophobicContact CE2-CG 4.3Å; Y187-K337 WeakPolarHBondContact OH-CD 3.38Å; Y187-K337 PolarHBondContact OH-NZ 2.97Å; W272-K337 WeakPolarHBondContact CA-O 3.44Å; W272-K337 PolarHBondContact O-N 3.38Å; I335-K337 HydrophobicContact CD1-CG 4.42Å; I335-K337 HydrophobicContact CG1-CG 4.36Å; I335-K337 HydrophobicContact CG2-CG 4.5Å; K337-D757 IonicContact NZ-OD2 3.68Å; K337-D757 PolarHBondContact NZ-OD2 2.96Å; K337-D757 VanDerWaalsContact NZ-OD2 3.14Å; K337-T760 WeakPolarHBondContact CE-OG1 3.48Å; K337-T760 PolarHBondContact NZ-OG1 3.02Å; K337-D779 WeakPolarHBondContact CB-OD1 3.47Å; K337-D779 HydrophobicContact CD-CB 4.45Å; K337-D779 WeakPolarHBondContact CD-OD1 3.35Å; K337-D779 WeakPolarHBondContact CG-OD1 3.42Å
338	P	82.7	Confident	75.6	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.006	28%	0.28	C	S	.	.			trans	-61.4	160.4	-179.6	-25.4	36.6	0	0	0	114	R188 W272 V336 K393 A394	R188-P338 PolarHBondContact NH1-O 3.22Å; R188-P338 PolarHBondContact NH2-O 3.04Å; W272-P338 HydrophobicContact CD2-CB 4.14Å; W272-P338 HydrophobicContact CE3-CB 3.85Å; W272-P338 HydrophobicContact CE3-CG 4.15Å; W272-P338 HydrophobicContact CH2-CB 3.88Å; W272-P338 HydrophobicContact CZ2-CB 4.16Å; W272-P338 HydrophobicContact CZ3-CB 3.73Å; W272-P338 HydrophobicContact CZ3-CG 4.16Å; V336-P338 HydrophobicContact CG1-CG 4.42Å; P338-K393 HydrophobicContact CG-CB 4.48Å; P338-A394 HydrophobicContact CG-CB 4.32Å
339	I	78.9	Confident	78.6	Confident	45 Å²	45	47.8 Å²	47.8	23%	0.231	24%	0.239	C	C	.	.			trans	-99.5	113	158.8	-61.7	164.6	0	0	0	105.3	T191 W272 S341	T191-I339 HydrophobicContact CG2-CD1 4.25Å; W272-I339 HydrophobicContact CZ2-CB 4.34Å; W272-I339 VanDerWaalsContact CZ2-O 3.31Å; W272-I339 WeakPolarHBondContact CZ2-O 3.44Å; I339-S341 PolarHBondContact O-N 3.05Å
340	P	68.3	Low	81.1	Confident	15 Å²	15	38.5 Å²	38.5	10%	0.097	20%	0.198	C	C	.	.			trans	-56.3	132.1	174.8	-25.8	35.8	0	0	0	111.3	S725 Q726 Y776	P340-S725 WeakPolarHBondContact CG-O 3.25Å; P340-Q726 HydrophobicContact CB-CB 3.75Å; P340-Y776 HydrophobicContact CB-CD1 4.5Å; P340-Y776 HydrophobicContact CG-CD1 3.73Å; P340-Y776 HydrophobicContact CG-CE1 4.34Å; P340-Y776 HydrophobicContact CG-CG 4.1Å
341	S	73.4	Confident	83.3	Confident	30 Å²	30	30.2 Å²	30.2	21%	0.21	16%	0.16	C	C	.	.			trans	-166	141	173.7	165.4	0	0	0	0	108.9	I339 E343 V344	I339-S341 PolarHBondContact O-N 3.05Å; S341-E343 PolarHBondContact O-N 3.38Å; S341-E343 PolarHBondContact OG-N 3.15Å; S341-V344 PolarHBondContact O-N 3.28Å
342	P	67.4	Low	85	Confident	59 Å²	59	28.1 Å²	28.1	38%	0.383	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-23.5	176.5	30.3	-34.7	0	0	0	112.1	V344 V683 L686	P342-V344 VanDerWaalsContact C-N 3.26Å; P342-V344 PolarHBondContact O-N 2.79Å; P342-V683 HydrophobicContact CB-CG1 4.04Å; P342-V683 WeakPolarHBondContact O-CG1 3.28Å; P342-L686 HydrophobicContact CB-CD1 4.39Å
343	E	71.9	Confident	85.8	Confident	156 Å²	156	22 Å²	22	73%	0.729	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.1	-178.8	-58.9	-170.1	162.4	0	0	113.4	P265 S341	P265-E343 WeakPolarHBondContact CB-O 3.5Å; S341-E343 PolarHBondContact O-N 3.38Å; S341-E343 PolarHBondContact OG-N 3.15Å
344	V	81.3	Confident	85.8	Confident	26 Å²	26	28.5 Å²	28.5	16%	0.158	15%	0.147	C	C	.	.			trans	-98.8	127.7	-175.1	-169.3	0	0	0	0	110.3	W272 S341 P342 N396	W272-V344 HydrophobicContact CH2-CB 4.35Å; W272-V344 HydrophobicContact CH2-CG1 3.55Å; W272-V344 HydrophobicContact CZ2-CG1 3.96Å; W272-V344 HydrophobicContact CZ3-CG1 4.48Å; S341-V344 PolarHBondContact O-N 3.28Å; P342-V344 VanDerWaalsContact C-N 3.26Å; P342-V344 PolarHBondContact O-N 2.79Å; V344-N396 WeakPolarHBondContact O-CB 3.25Å; V344-N396 PolarHBondContact O-ND2 3.02Å
345	I	88.9	Confident	85.7	Confident	17 Å²	17	29.2 Å²	29.2	9%	0.087	15%	0.152	C	C	.	.			trans	-135	70.7	-176.3	-50.9	179.6	0	0	0	107.1	P265 I266 V347 N396 R398 V681 V683	P265-I345 CarbonylContact O-C 3.6Å; P265-I345 VanDerWaalsContact O-C 3.26Å; P265-I345 PolarHBondContact O-N 3.45Å; I266-I345 WeakPolarHBondContact CA-O 3.37Å; I266-I345 WeakPolarHBondContact CG2-O 3.43Å; I345-V347 PolarHBondContact O-N 3.3Å; I345-N396 HydrophobicContact CB-CB 4.46Å; I345-N396 HydrophobicContact CG1-CB 4.31Å; I345-N396 HydrophobicContact CG2-CB 4.38Å; I345-R398 VanDerWaalsContact CG2-CD 3.48Å; I345-R398 HydrophobicContact CG2-CG 3.88Å; I345-V681 HydrophobicContact CD1-CG1 4.41Å; I345-V683 HydrophobicContact CD1-CG2 4.37Å
346	P	92.5	Very high	85.4	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-67.9	130.3	-168.1	28.1	-29.6	0	0	0	110.4	V268 W272 A394 P395 L397 R398	V268-P346 HydrophobicContact CG2-CB 3.57Å; W272-P346 HydrophobicContact CZ3-CB 4.35Å; W272-P346 HydrophobicContact CZ3-CG 4.27Å; P346-A394 HydrophobicContact CG-CB 3.9Å; P346-P395 WeakPolarHBondContact CD-O 3.35Å; P346-P395 WeakPolarHBondContact CG-O 3.36Å; P346-L397 HydrophobicContact CG-CD1 4.39Å; P346-R398 PolarHBondContact O-N 2.88Å
347	V	95.5	Very high	84.9	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120	179.1	179.7	0	0	0	0	109.5	I266 I345 V349 Q375 R398 L400 L458 I461	I266-V347 HydrophobicContact CB-CB 4.35Å; I266-V347 HydrophobicContact CB-CG2 3.86Å; I266-V347 HydrophobicContact CG2-CG2 3.82Å; I266-V347 PolarHBondContact O-N 3.48Å; I345-V347 PolarHBondContact O-N 3.3Å; V347-V349 HydrophobicContact CG1-CG2 4.08Å; V347-Q375 PolarHBondContact O-NE2 2.79Å; V347-R398 WeakPolarHBondContact CA-O 3.48Å; V347-R398 HydrophobicContact CG2-CB 4.23Å; V347-L400 HydrophobicContact CG1-CB 4.1Å; V347-L458 HydrophobicContact CG1-CD2 4.39Å; V347-I461 HydrophobicContact CG1-CG2 4.11Å; V347-I461 HydrophobicContact CG2-CG2 3.95Å
348	I	97.1	Very high	84.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	140.9	163.9	63.6	175.4	0	0	0	110	F350 Q375 F377 L388 F391 L397 R398 V399 L400	I348-F350 HydrophobicContact CD1-CE2 3.87Å; I348-F350 HydrophobicContact CD1-CZ 3.85Å; I348-F350 HydrophobicContact CG1-CE2 4.28Å; I348-Q375 WeakPolarHBondContact CA-O 3.37Å; I348-F377 HydrophobicContact CB-CE2 4.34Å; I348-F377 HydrophobicContact CG2-CE2 4.41Å; I348-L388 HydrophobicContact CD1-CD2 4.25Å; I348-F391 HydrophobicContact CD1-CB 4.48Å; I348-F391 HydrophobicContact CG2-CB 4.28Å; I348-F391 HydrophobicContact CG2-CD1 3.79Å; I348-F391 HydrophobicContact CG2-CD2 4.22Å; I348-F391 HydrophobicContact CG2-CE1 4.17Å; I348-F391 HydrophobicContact CG2-CG 3.82Å; I348-L397 HydrophobicContact CD1-CD1 4.3Å; I348-L397 HydrophobicContact CD1-CD2 4.5Å; I348-L397 HydrophobicContact CG1-CD1 4.11Å; I348-L397 HydrophobicContact CG2-CD1 4.1Å; I348-R398 PolarHBondContact N-O 2.98Å; I348-V399 HydrophobicContact CD1-CG2 4.15Å; I348-V399 HydrophobicContact CG1-CG2 3.96Å; I348-L400 PolarHBondContact O-N 2.89Å
349	V	98.1	Very high	84.8	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	113.7	-171.8	-169.9	0	0	0	0	109.5	V347 I351 F367 L371 Q375 V376 F377 L400	V347-V349 HydrophobicContact CG1-CG2 4.08Å; V349-I351 HydrophobicContact CG1-CD1 3.98Å; V349-I351 HydrophobicContact CG1-CG1 3.72Å; V349-F367 HydrophobicContact CG1-CD1 4.09Å; V349-F367 HydrophobicContact CG1-CD2 4.12Å; V349-F367 HydrophobicContact CG1-CE1 4.03Å; V349-F367 HydrophobicContact CG1-CE2 4.07Å; V349-F367 HydrophobicContact CG1-CG 4.13Å; V349-F367 HydrophobicContact CG1-CZ 4.03Å; V349-F367 HydrophobicContact CG2-CD1 3.94Å; V349-F367 HydrophobicContact CG2-CE1 4.17Å; V349-L371 HydrophobicContact CG2-CD1 3.61Å; V349-Q375 PolarHBondContact N-O 3.39Å; V349-V376 HydrophobicContact CB-CG1 4.43Å; V349-F377 PolarHBondContact O-N 3.1Å; V349-L400 WeakPolarHBondContact CA-O 3.5Å; V349-L400 HydrophobicContact CG1-CB 4.29Å; V349-L400 HydrophobicContact CG1-CD2 4.16Å; V349-L400 HydrophobicContact CG1-CG 4.2Å; V349-L400 HydrophobicContact CG2-CB 4.31Å; V349-L400 HydrophobicContact CG2-CD2 4.34Å
350	F	98.3	Very high	85.2	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.1	171.8	-68.6	-62.1	0	0	0	109.6	I348 F377 L379 P384 L388 V399 L400 C402 V411	I348-F350 HydrophobicContact CD1-CE2 3.87Å; I348-F350 HydrophobicContact CD1-CZ 3.85Å; I348-F350 HydrophobicContact CG1-CE2 4.28Å; F350-F377 HydrophobicContact CD1-CB 3.51Å; F350-F377 HydrophobicContact CD1-CD2 4.29Å; F350-F377 HydrophobicContact CD1-CG 4.07Å; F350-F377 HydrophobicContact CE1-CB 3.71Å; F350-F377 HydrophobicContact CE1-CD1 4.46Å; F350-F377 AromaticContact CE1-CD2 3.86Å; F350-F377 HydrophobicContact CE1-CD2 3.86Å; F350-F377 AromaticContact CE1-CG 3.75Å; F350-F377 HydrophobicContact CE1-CG 3.75Å; F350-F377 HydrophobicContact CZ-CD2 4.49Å; F350-L379 HydrophobicContact CB-CD1 4.04Å; F350-L379 HydrophobicContact CB-CD2 3.88Å; F350-L379 HydrophobicContact CB-CG 3.93Å; F350-L379 HydrophobicContact CD1-CD2 3.83Å; F350-L379 HydrophobicContact CG-CD2 4.07Å; F350-P384 HydrophobicContact CD1-CB 3.91Å; F350-P384 HydrophobicContact CD2-CB 4.18Å; F350-P384 VanDerWaalsContact CE1-CA 3.46Å; F350-P384 HydrophobicContact CE1-CB 3.78Å; F350-P384 WeakPolarHBondContact CE1-O 3.37Å; F350-P384 HydrophobicContact CE2-CB 4.03Å; F350-P384 HydrophobicContact CG-CB 4.16Å; F350-P384 HydrophobicContact CZ-CB 3.85Å; F350-P384 VanDerWaalsContact CZ-O 3.32Å; F350-P384 WeakPolarHBondContact CZ-O 2.96Å; F350-L388 HydrophobicContact CE2-CD2 4.01Å; F350-L388 HydrophobicContact CE2-CG 4.05Å; F350-L388 HydrophobicContact CZ-CD2 4.29Å; F350-L388 HydrophobicContact CZ-CG 3.95Å; F350-V399 HydrophobicContact CD2-CG1 3.52Å; F350-V399 HydrophobicContact CE2-CG1 3.74Å; F350-L400 PolarHBondContact N-O 3.16Å; F350-C402 WeakPolarHBondContact O-CB 3.5Å; F350-C402 PolarHBondContact O-N 2.99Å; F350-V411 HydrophobicContact CB-CG2 4.36Å; F350-V411 HydrophobicContact CD2-CG1 4.35Å; F350-V411 HydrophobicContact CD2-CG2 4.08Å; F350-V411 HydrophobicContact CG-CG2 4.39Å
351	I	96.8	Very high	86.1	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.9	-174.7	-52.7	179	0	0	0	109.9	V349 P353 L364 F367 V376 F377 L379 C402	V349-I351 HydrophobicContact CG1-CD1 3.98Å; V349-I351 HydrophobicContact CG1-CG1 3.72Å; I351-P353 WeakPolarHBondContact O-CD 3.23Å; I351-L364 HydrophobicContact CD1-CB 4.27Å; I351-L364 HydrophobicContact CD1-CD1 4.12Å; I351-F367 HydrophobicContact CD1-CB 4.47Å; I351-F367 HydrophobicContact CD1-CD2 3.55Å; I351-F367 HydrophobicContact CD1-CE2 4.13Å; I351-F367 HydrophobicContact CD1-CG 4.3Å; I351-V376 HydrophobicContact CD1-CG1 3.57Å; I351-V376 HydrophobicContact CG1-CG1 4.42Å; I351-F377 PolarHBondContact N-O 3.45Å; I351-L379 WeakPolarHBondContact O-CB 3.28Å; I351-L379 PolarHBondContact O-N 3.49Å; I351-C402 HydrophobicContact CB-CB 4.31Å; I351-C402 HydrophobicContact CG1-CB 4Å; I351-C402 HydrophobicContact CG2-CB 4.22Å
352	N	93.8	Very high	86.7	Confident	37 Å²	37	42.9 Å²	42.9	20%	0.198	22%	0.224	C	C	.	.			trans	-89.7	105.4	165.2	178.6	-15.6	0	0	0	108.6	K354 S355 L379 C402 T407	N352-K354 PolarHBondContact O-N 2.73Å; N352-K354 VanDerWaalsContact O-N 3.16Å; N352-K354 PolarHBondContact OD1-N 2.85Å; N352-S355 PolarHBondContact ND2-OG 2.75Å; N352-S355 WeakPolarHBondContact O-CB 3.43Å; N352-S355 PolarHBondContact O-N 2.7Å; N352-S355 VanDerWaalsContact O-N 3.11Å; N352-L379 HydrophobicContact CB-CD1 4.33Å; N352-C402 PolarHBondContact N-O 3.03Å; N352-C402 VanDerWaalsContact N-O 3.09Å; N352-T407 HydrophobicContact CB-CG2 3.97Å; N352-T407 PolarHBondContact ND2-OG1 3.37Å
353	P	89.4	Confident	88	Confident	14 Å²	14	40.2 Å²	40.2	9%	0.091	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-30	-170.8	-21.2	32.2	0	0	0	113.8	I351 S355 G360 H361 D378 T380	I351-P353 WeakPolarHBondContact O-CD 3.23Å; P353-S355 VanDerWaalsContact C-N 3.31Å; P353-G360 WeakPolarHBondContact O-CA 3.47Å; P353-G360 PolarHBondContact O-N 3.43Å; P353-H361 HydrophobicContact CB-CB 4.17Å; P353-H361 PolarHBondContact O-N 3.49Å; P353-D378 WeakPolarHBondContact CD-OD1 3.37Å; P353-D378 WeakPolarHBondContact CG-OD1 3.24Å; P353-D378 WeakPolarHBondContact CG-OD2 3.46Å; P353-T380 HydrophobicContact CG-CG2 4.37Å
354	K	84.6	Confident	89	Confident	157 Å²	157	32.9 Å²	32.9	68%	0.683	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-21.5	-178.1	-57	-177.3	-179.2	-179.3	0	112.5	N352 N358	N352-K354 PolarHBondContact O-N 2.73Å; N352-K354 VanDerWaalsContact O-N 3.16Å; N352-K354 PolarHBondContact OD1-N 2.85Å; K354-N358 PolarHBondContact O-N 3.35Å
355	S	86.1	Confident	89.6	Confident	16 Å²	16	31.8 Å²	31.8	11%	0.112	17%	0.167	C	C	.	.	H	α-helix	trans	-65	146.7	-176	-75.6	0	0	0	0	113.2	N352 P353 G357 Q359 G360	N352-S355 PolarHBondContact ND2-OG 2.75Å; N352-S355 WeakPolarHBondContact O-CB 3.43Å; N352-S355 PolarHBondContact O-N 2.7Å; N352-S355 VanDerWaalsContact O-N 3.11Å; P353-S355 VanDerWaalsContact C-N 3.31Å; S355-G357 VanDerWaalsContact C-N 3.34Å; S355-G357 PolarHBondContact O-N 3.31Å; S355-Q359 PolarHBondContact O-N 2.87Å; S355-Q359 VanDerWaalsContact O-N 3.1Å; S355-G360 PolarHBondContact O-N 2.84Å; S355-G360 VanDerWaalsContact O-N 3.12Å
356	G	79.6	Confident	89.8	Confident	16 Å²	16	34.2 Å²	34.2	17%	0.165	18%	0.176	C	C	.	.	H	α-helix	trans	72.2	17.7	178.2	0	0	0	0	0	115.7	Q359 L433	G356-Q359 WeakPolarHBondContact O-CG 3.31Å; G356-Q359 PolarHBondContact O-NE2 2.86Å; G356-L433 WeakPolarHBondContact CA-O 3.46Å; G356-L433 PolarHBondContact N-O 2.67Å
357	G	76.7	Confident	90	Very high	36 Å²	36	34.2 Å²	34.2	37%	0.371	18%	0.176	S	C	.	.	H	α-helix	trans	74.1	57.6	-170.9	0	0	0	0	0	110.3	S355 Q359 N527	S355-G357 VanDerWaalsContact C-N 3.34Å; S355-G357 PolarHBondContact O-N 3.31Å; G357-Q359 PolarHBondContact O-N 2.74Å; G357-Q359 VanDerWaalsContact O-N 3.14Å; G357-N527 VanDerWaalsContact CA-O 3.24Å; G357-N527 WeakPolarHBondContact CA-O 3.28Å
358	N	77.4	Confident	90	Very high	102 Å²	102	34.2 Å²	34.2	55%	0.545	18%	0.176	S	C	.	.	H	α-helix	trans	58.5	21.4	-176.5	-57.5	-22.4	0	0	0	114.9	K354 G360	K354-N358 PolarHBondContact O-N 3.35Å; N358-G360 VanDerWaalsContact C-N 3.31Å
359	Q	84.5	Confident	89.9	Confident	29 Å²	29	36.4 Å²	36.4	14%	0.136	19%	0.186	C	C	.	.	H	α-helix	trans	-64.1	-37.9	169.2	-79.7	178.7	67.7	0	0	110.9	S355 G356 G357 H361 K362 L363	S355-Q359 PolarHBondContact O-N 2.87Å; S355-Q359 VanDerWaalsContact O-N 3.1Å; G356-Q359 WeakPolarHBondContact O-CG 3.31Å; G356-Q359 PolarHBondContact O-NE2 2.86Å; G357-Q359 PolarHBondContact O-N 2.74Å; G357-Q359 VanDerWaalsContact O-N 3.14Å; Q359-H361 VanDerWaalsContact C-N 3.33Å; Q359-H361 PolarHBondContact O-N 2.86Å; Q359-K362 WeakPolarHBondContact O-CB 3.18Å; Q359-K362 PolarHBondContact O-N 3.47Å; Q359-L363 WeakPolarHBondContact O-CG 3.41Å; Q359-L363 PolarHBondContact O-N 2.68Å
360	G	88.1	Confident	89.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-53.2	-46	177.2	0	0	0	0	0	113.1	P353 S355 N358 K362 L363 L364	P353-G360 WeakPolarHBondContact O-CA 3.47Å; P353-G360 PolarHBondContact O-N 3.43Å; S355-G360 PolarHBondContact O-N 2.84Å; S355-G360 VanDerWaalsContact O-N 3.12Å; N358-G360 VanDerWaalsContact C-N 3.31Å; G360-K362 PolarHBondContact O-N 3.17Å; G360-L363 PolarHBondContact O-N 3.35Å; G360-L363 VanDerWaalsContact O-N 3.13Å; G360-L364 PolarHBondContact O-N 3.48Å
361	H	86.5	Confident	89.6	Confident	90 Å²	90	37.3 Å²	37.3	42%	0.417	19%	0.191	S	C	.	.	H	α-helix	trans	-62.2	-39.9	176.2	-171.8	-29.1	0	0	0	112.5	P353 Q359 L363	P353-H361 HydrophobicContact CB-CB 4.17Å; P353-H361 PolarHBondContact O-N 3.49Å; Q359-H361 VanDerWaalsContact C-N 3.33Å; Q359-H361 PolarHBondContact O-N 2.86Å; H361-L363 VanDerWaalsContact C-N 3.28Å; H361-L363 PolarHBondContact O-N 2.64Å
362	K	87.2	Confident	89.6	Confident	145 Å²	145	37.2 Å²	37.2	63%	0.63	19%	0.191	S	C	*	.	H	α-helix	trans	-63.9	-36.3	174.9	-66.1	176.7	-180	174.8	0	111.3	Q359 G360	Q359-K362 WeakPolarHBondContact O-CB 3.18Å; Q359-K362 PolarHBondContact O-N 3.47Å; G360-K362 PolarHBondContact O-N 3.17Å
363	L	93.4	Very high	89.7	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-76.9	-35.8	-178.4	-68	-172.4	0	0	0	114.3	Q359 G360 H361 G365 K366 F367 L431 L433 Y449 I454	Q359-L363 WeakPolarHBondContact O-CG 3.41Å; Q359-L363 PolarHBondContact O-N 2.68Å; G360-L363 PolarHBondContact O-N 3.35Å; G360-L363 VanDerWaalsContact O-N 3.13Å; H361-L363 VanDerWaalsContact C-N 3.28Å; H361-L363 PolarHBondContact O-N 2.64Å; L363-G365 PolarHBondContact O-N 2.93Å; L363-K366 HydrophobicContact CD2-CD 3.65Å; L363-K366 HydrophobicContact CD2-CG 4.38Å; L363-K366 WeakPolarHBondContact O-CA 3.44Å; L363-K366 WeakPolarHBondContact O-CB 3.26Å; L363-K366 PolarHBondContact O-N 2.95Å; L363-F367 HydrophobicContact CB-CD2 4.23Å; L363-F367 HydrophobicContact CB-CE2 4.12Å; L363-F367 VanDerWaalsContact O-CD2 3.27Å; L363-F367 WeakPolarHBondContact O-CD2 3.04Å; L363-F367 PolarHBondContact O-N 3.48Å; L363-L431 HydrophobicContact CD1-CD2 3.66Å; L363-L433 HydrophobicContact CD1-CD1 4.14Å; L363-L433 HydrophobicContact CD1-CD2 3.8Å; L363-Y449 HydrophobicContact CD1-CD1 4.06Å; L363-Y449 HydrophobicContact CD1-CE1 3.94Å; L363-Y449 HydrophobicContact CD2-CE1 3.68Å; L363-Y449 HydrophobicContact CG-CE1 4.26Å; L363-I454 HydrophobicContact CD2-CD1 3.72Å; L363-I454 HydrophobicContact CD2-CG1 4.07Å
364	L	93.6	Very high	90	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-44.8	-52.5	175.3	177.7	63.1	0	0	0	111.4	I112 V113 I351 G360 K366 F367 Q368 V376	I112-L364 HydrophobicContact CD1-CD2 4.2Å; I112-L364 HydrophobicContact CG1-CD2 4.41Å; I112-L364 HydrophobicContact CG2-CD2 4.24Å; V113-L364 HydrophobicContact CG1-CD2 4.36Å; I351-L364 HydrophobicContact CD1-CB 4.27Å; I351-L364 HydrophobicContact CD1-CD1 4.12Å; G360-L364 PolarHBondContact O-N 3.48Å; L364-K366 VanDerWaalsContact C-N 3.34Å; L364-K366 PolarHBondContact O-N 3.12Å; L364-F367 PolarHBondContact O-N 3.14Å; L364-Q368 VanDerWaalsContact O-CG 3.32Å; L364-Q368 WeakPolarHBondContact O-CG 3.35Å; L364-Q368 PolarHBondContact O-N 2.86Å; L364-V376 HydrophobicContact CD1-CG1 3.72Å
365	G	92.6	Very high	90.6	Very high	3 Å²	3	27.4 Å²	27.4	3%	0.031	15%	0.145	C	C	.	.	H	α-helix	trans	-80.8	-0.6	178.1	0	0	0	0	0	116.5	K128 S153 L363	K128-G365 PolarHBondContact NZ-O 2.83Å; K128-G365 VanDerWaalsContact NZ-O 3.15Å; S153-G365 WeakPolarHBondContact OG-CA 3.37Å; L363-G365 PolarHBondContact O-N 2.93Å
366	K	93.7	Very high	91.1	Very high	68 Å²	68	26.9 Å²	26.9	30%	0.296	14%	0.141	S	C	.	.	H	α-helix	trans	-85.9	-44.6	162.8	-64.7	-171.3	-164.6	174.8	0	109.6	L363 L364 H369 L370 Y449 D451 I454	L363-K366 HydrophobicContact CD2-CD 3.65Å; L363-K366 HydrophobicContact CD2-CG 4.38Å; L363-K366 WeakPolarHBondContact O-CA 3.44Å; L363-K366 WeakPolarHBondContact O-CB 3.26Å; L363-K366 PolarHBondContact O-N 2.95Å; L364-K366 VanDerWaalsContact C-N 3.34Å; L364-K366 PolarHBondContact O-N 3.12Å; K366-H369 WeakPolarHBondContact O-CB 3.4Å; K366-H369 PolarHBondContact O-N 3.02Å; K366-L370 PolarHBondContact O-N 3.06Å; K366-Y449 PolarHBondContact NZ-OH 2.85Å; K366-D451 IonicContact NZ-OD1 2.74Å; K366-D451 PolarHBondContact NZ-OD1 2.79Å; K366-I454 HydrophobicContact CB-CG1 4Å; K366-I454 HydrophobicContact CD-CG1 3.63Å; K366-I454 HydrophobicContact CG-CG1 4.47Å
367	F	96.5	Very high	91.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.6	-45.5	178.3	-76	-74.3	0	0	0	112.5	V349 I351 L363 L364 H369 L370 L371 V376 L400 L431 I454 L458	V349-F367 HydrophobicContact CG1-CD1 4.09Å; V349-F367 HydrophobicContact CG1-CD2 4.12Å; V349-F367 HydrophobicContact CG1-CE1 4.03Å; V349-F367 HydrophobicContact CG1-CE2 4.07Å; V349-F367 HydrophobicContact CG1-CG 4.13Å; V349-F367 HydrophobicContact CG1-CZ 4.03Å; V349-F367 HydrophobicContact CG2-CD1 3.94Å; V349-F367 HydrophobicContact CG2-CE1 4.17Å; I351-F367 HydrophobicContact CD1-CB 4.47Å; I351-F367 HydrophobicContact CD1-CD2 3.55Å; I351-F367 HydrophobicContact CD1-CE2 4.13Å; I351-F367 HydrophobicContact CD1-CG 4.3Å; L363-F367 HydrophobicContact CB-CD2 4.23Å; L363-F367 HydrophobicContact CB-CE2 4.12Å; L363-F367 VanDerWaalsContact O-CD2 3.27Å; L363-F367 WeakPolarHBondContact O-CD2 3.04Å; L363-F367 PolarHBondContact O-N 3.48Å; L364-F367 PolarHBondContact O-N 3.14Å; F367-H369 PolarHBondContact O-N 3.36Å; F367-H369 VanDerWaalsContact O-N 3.11Å; F367-L370 PolarHBondContact O-N 3.47Å; F367-L370 VanDerWaalsContact O-N 3.13Å; F367-L371 HydrophobicContact CD1-CD1 4.41Å; F367-L371 WeakPolarHBondContact O-CB 3.39Å; F367-L371 PolarHBondContact O-N 3.06Å; F367-V376 HydrophobicContact CB-CG1 3.78Å; F367-V376 HydrophobicContact CB-CG2 3.89Å; F367-L400 HydrophobicContact CE1-CD2 3.75Å; F367-L400 HydrophobicContact CZ-CD2 3.81Å; F367-L431 HydrophobicContact CE2-CD2 4.23Å; F367-L431 HydrophobicContact CZ-CD2 4.06Å; F367-I454 HydrophobicContact CD1-CG2 3.56Å; F367-I454 HydrophobicContact CD2-CG2 4.44Å; F367-I454 HydrophobicContact CE1-CG2 3.35Å; F367-I454 HydrophobicContact CE2-CD1 4.37Å; F367-I454 HydrophobicContact CE2-CG2 4.27Å; F367-I454 HydrophobicContact CG-CG2 4.12Å; F367-I454 HydrophobicContact CZ-CD1 4.21Å; F367-I454 HydrophobicContact CZ-CG2 3.74Å; F367-L458 HydrophobicContact CD1-CD1 4.21Å; F367-L458 HydrophobicContact CD1-CD2 4.04Å; F367-L458 HydrophobicContact CD1-CG 4.3Å; F367-L458 HydrophobicContact CE1-CD1 4.4Å; F367-L458 HydrophobicContact CE1-CD2 3.76Å; F367-L458 HydrophobicContact CE1-CG 4.02Å
368	Q	95.8	Very high	92.8	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.7	-20.1	177.7	-71.3	172.6	-23.5	0	0	114.4	I112 S153 L364 P373 V376	I112-Q368 PolarHBondContact O-NE2 2.86Å; I112-Q368 PolarHBondContact O-OE1 2.91Å; S153-Q368 PolarHBondContact OG-OE1 2.84Å; L364-Q368 VanDerWaalsContact O-CG 3.32Å; L364-Q368 WeakPolarHBondContact O-CG 3.35Å; L364-Q368 PolarHBondContact O-N 2.86Å; Q368-P373 HydrophobicContact CB-CB 4.39Å; Q368-P373 HydrophobicContact CB-CG 4.35Å; Q368-P373 HydrophobicContact CG-CB 4.24Å; Q368-V376 HydrophobicContact CG-CB 3.96Å; Q368-V376 HydrophobicContact CG-CG1 4.2Å; Q368-V376 HydrophobicContact CG-CG2 4.13Å
369	H	94.6	Very high	93.6	Very high	45 Å²	45	21.3 Å²	21.3	21%	0.208	10%	0.098	C	C	.	.	H	α-helix	trans	-78.9	-44	175.5	-174.5	30	0	0	0	111.8	S153 A154 H239 K366 F367	S153-H369 VanDerWaalsContact O-CA 3.29Å; S153-H369 WeakPolarHBondContact O-CA 3.16Å; S153-H369 VanDerWaalsContact O-CB 3.27Å; S153-H369 WeakPolarHBondContact O-CB 3.41Å; S153-H369 PolarHBondContact O-N 3.16Å; A154-H369 PolarHBondContact O-ND1 3.44Å; H239-H369 AromaticContact CE1-CD2 3.81Å; H239-H369 AromaticContact CE1-CE1 3.63Å; H239-H369 AromaticContact CE1-CG 3.99Å; H239-H369 AromaticContact CE1-ND1 3.89Å; H239-H369 AromaticContact CE1-NE2 3.61Å; H239-H369 PolarHBondContact CE1-O 3.3Å; H239-H369 AromaticContact NE2-CE1 3.63Å; H239-H369 AromaticContact NE2-ND1 3.8Å; H239-H369 PolarHBondContact NE2-O 3.03Å; K366-H369 WeakPolarHBondContact O-CB 3.4Å; K366-H369 PolarHBondContact O-N 3.02Å; F367-H369 PolarHBondContact O-N 3.36Å; F367-H369 VanDerWaalsContact O-N 3.11Å
370	L	94.7	Very high	93.9	Very high	19 Å²	19	23.4 Å²	23.4	10%	0.099	11%	0.113	C	C	.	.	H	α-helix	trans	-80.8	-35.6	-175.3	-68	160.8	0	0	0	112.6	Y263 K366 F367 I454 L458	Y263-L370 HydrophobicContact CD2-CD2 4.14Å; Y263-L370 HydrophobicContact CE2-CD2 3.46Å; Y263-L370 VanDerWaalsContact CE2-CD2 3.46Å; K366-L370 PolarHBondContact O-N 3.06Å; F367-L370 PolarHBondContact O-N 3.47Å; F367-L370 VanDerWaalsContact O-N 3.13Å; L370-I454 HydrophobicContact CD1-CB 3.83Å; L370-I454 HydrophobicContact CD1-CG2 3.71Å; L370-L458 HydrophobicContact CB-CD1 4.01Å; L370-L458 HydrophobicContact CD1-CD1 4.11Å
371	L	96	Very high	93.9	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-101.2	-177.5	-179.5	-61.7	-179.6	0	0	0	111.8	K176 I266 I267 V349 F367 Q375 V376 L458	K176-L371 PolarHBondContact NZ-O 2.98Å; I266-L371 HydrophobicContact CD1-CD2 4.06Å; I266-L371 HydrophobicContact CG1-CD2 4.15Å; I267-L371 HydrophobicContact CG1-CD2 4.06Å; V349-L371 HydrophobicContact CG2-CD1 3.61Å; F367-L371 HydrophobicContact CD1-CD1 4.41Å; F367-L371 WeakPolarHBondContact O-CB 3.39Å; F367-L371 PolarHBondContact O-N 3.06Å; L371-Q375 HydrophobicContact CB-CB 4.48Å; L371-Q375 HydrophobicContact CD1-CB 4.42Å; L371-V376 HydrophobicContact CB-CG2 4.34Å; L371-V376 HydrophobicContact CD1-CG2 4.29Å; L371-L458 HydrophobicContact CD1-CD1 4.48Å; L371-L458 HydrophobicContact CD1-CD2 4.15Å; L371-L458 HydrophobicContact CD2-CD1 4.11Å; L371-L458 HydrophobicContact CG-CD1 4.14Å
372	N	96.6	Very high	93.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.			trans	-70.1	127.7	155.8	-176.4	-18.8	0	0	0	108.1	T178 W237 V268 R374 Q375	T178-N372 WeakPolarHBondContact CB-OD1 3.45Å; T178-N372 PolarHBondContact O-ND2 3.08Å; W237-N372 HydrophobicContact CH2-CB 3.72Å; W237-N372 HydrophobicContact CZ3-CB 3.95Å; V268-N372 VanDerWaalsContact O-CB 3.24Å; V268-N372 WeakPolarHBondContact O-CB 3.4Å; V268-N372 PolarHBondContact O-ND2 2.73Å; N372-R374 PolarHBondContact O-N 3.28Å; N372-R374 PolarHBondContact OD1-N 3Å; N372-R374 VanDerWaalsContact OD1-N 3.08Å; N372-Q375 HydrophobicContact CB-CG 4.18Å; N372-Q375 VanDerWaalsContact CB-OE1 3.3Å; N372-Q375 WeakPolarHBondContact O-CB 3.22Å; N372-Q375 PolarHBondContact O-N 2.98Å
373	P	96.5	Very high	94	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-49.8	-29.4	175.4	-31	35.7	0	0	0	114.6	P114 Y126 A154 T178 Q368 Q375 V376	P114-P373 HydrophobicContact CG-CB 3.97Å; Y126-P373 HydrophobicContact CD2-CB 3.84Å; Y126-P373 HydrophobicContact CD2-CG 3.83Å; Y126-P373 HydrophobicContact CE2-CB 3.64Å; Y126-P373 HydrophobicContact CE2-CG 3.69Å; A154-P373 HydrophobicContact CB-CG 3.71Å; T178-P373 HydrophobicContact CG2-CB 4.22Å; T178-P373 HydrophobicContact CG2-CG 3.88Å; Q368-P373 HydrophobicContact CB-CB 4.39Å; Q368-P373 HydrophobicContact CB-CG 4.35Å; Q368-P373 HydrophobicContact CG-CB 4.24Å; P373-Q375 PolarHBondContact O-N 2.98Å; P373-V376 PolarHBondContact O-N 3.32Å; P373-V376 VanDerWaalsContact O-N 3.12Å
374	R	95.9	Very high	94.1	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.008	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-73.4	-3.5	175.5	-71	-172.8	-177.9	-78.7	-2.5	115.2	P114 D115 W116 T178 I273 N372 F391	P114-R374 HydrophobicContact CB-CG 3.96Å; P114-R374 HydrophobicContact CG-CG 4.1Å; D115-R374 VanDerWaalsContact O-CZ 3.24Å; D115-R374 PolarHBondContact O-NH1 3.24Å; D115-R374 PolarHBondContact O-NH2 2.86Å; W116-R374 VanDerWaalsContact CD2-NH1 3.26Å; W116-R374 VanDerWaalsContact CE3-NH1 3.3Å; W116-R374 HydrophobicContact CH2-CB 3.73Å; W116-R374 HydrophobicContact CH2-CG 3.99Å; W116-R374 HydrophobicContact CZ2-CB 3.62Å; W116-R374 HydrophobicContact CZ2-CG 3.83Å; W116-R374 WeakPolarHBondContact CZ2-O 3.5Å; T178-R374 PolarHBondContact OG1-NE 3.18Å; I273-R374 HydrophobicContact CD1-CB 3.59Å; I273-R374 HydrophobicContact CD1-CG 4.4Å; N372-R374 PolarHBondContact O-N 3.28Å; N372-R374 PolarHBondContact OD1-N 3Å; N372-R374 VanDerWaalsContact OD1-N 3.08Å; R374-F391 WeakPolarHBondContact O-CZ 3.29Å
375	Q	96	Very high	94.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-89.4	-8.8	167.1	-64.2	172	-101.5	0	0	112.8	I266 V268 V347 I348 V349 L371 N372 P373	I266-Q375 PolarHBondContact O-NE2 2.79Å; V268-Q375 HydrophobicContact CB-CG 3.91Å; V268-Q375 HydrophobicContact CG2-CG 4.11Å; V268-Q375 VanDerWaalsContact N-CD 3.26Å; V347-Q375 PolarHBondContact O-NE2 2.79Å; I348-Q375 WeakPolarHBondContact CA-O 3.37Å; V349-Q375 PolarHBondContact N-O 3.39Å; L371-Q375 HydrophobicContact CB-CB 4.48Å; L371-Q375 HydrophobicContact CD1-CB 4.42Å; N372-Q375 HydrophobicContact CB-CG 4.18Å; N372-Q375 VanDerWaalsContact CB-OE1 3.3Å; N372-Q375 WeakPolarHBondContact O-CB 3.22Å; N372-Q375 PolarHBondContact O-N 2.98Å; P373-Q375 PolarHBondContact O-N 2.98Å
376	V	97.3	Very high	94.1	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.024	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	107.3	-167.6	-165.1	0	0	0	0	110	V349 I351 L364 F367 Q368 L371 P373	V349-V376 HydrophobicContact CB-CG1 4.43Å; I351-V376 HydrophobicContact CD1-CG1 3.57Å; I351-V376 HydrophobicContact CG1-CG1 4.42Å; L364-V376 HydrophobicContact CD1-CG1 3.72Å; F367-V376 HydrophobicContact CB-CG1 3.78Å; F367-V376 HydrophobicContact CB-CG2 3.89Å; Q368-V376 HydrophobicContact CG-CB 3.96Å; Q368-V376 HydrophobicContact CG-CG1 4.2Å; Q368-V376 HydrophobicContact CG-CG2 4.13Å; L371-V376 HydrophobicContact CB-CG2 4.34Å; L371-V376 HydrophobicContact CD1-CG2 4.29Å; P373-V376 PolarHBondContact O-N 3.32Å; P373-V376 VanDerWaalsContact O-N 3.12Å
377	F	96.8	Very high	94	Very high	12 Å²	12	26.6 Å²	26.6	5%	0.053	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.2	-172.2	-66.2	-88.2	0	0	0	111	W116 I348 V349 F350 I351 M386 G387 F391	W116-F377 HydrophobicContact CZ2-CE1 4.13Å; W116-F377 HydrophobicContact CZ2-CZ 4.07Å; I348-F377 HydrophobicContact CB-CE2 4.34Å; I348-F377 HydrophobicContact CG2-CE2 4.41Å; V349-F377 PolarHBondContact O-N 3.1Å; F350-F377 HydrophobicContact CD1-CB 3.51Å; F350-F377 HydrophobicContact CD1-CD2 4.29Å; F350-F377 HydrophobicContact CD1-CG 4.07Å; F350-F377 HydrophobicContact CE1-CB 3.71Å; F350-F377 HydrophobicContact CE1-CD1 4.46Å; F350-F377 AromaticContact CE1-CD2 3.86Å; F350-F377 HydrophobicContact CE1-CD2 3.86Å; F350-F377 AromaticContact CE1-CG 3.75Å; F350-F377 HydrophobicContact CE1-CG 3.75Å; F350-F377 HydrophobicContact CZ-CD2 4.49Å; I351-F377 PolarHBondContact N-O 3.45Å; F377-M386 HydrophobicContact CD1-CE 4.14Å; F377-M386 HydrophobicContact CE1-CE 3.89Å; F377-G387 VanDerWaalsContact CZ-CA 3.41Å; F377-F391 HydrophobicContact CE2-CD2 4.4Å; F377-F391 HydrophobicContact CE2-CE2 4.15Å; F377-F391 HydrophobicContact CZ-CD2 4.14Å; F377-F391 AromaticContact CZ-CE2 3.77Å; F377-F391 HydrophobicContact CZ-CE2 3.77Å
378	D	95	Very high	93.9	Very high	22 Å²	22	26.6 Å²	26.6	12%	0.118	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	116.3	165.8	-174.3	-32.3	0	0	0	108.7	V113 P353 T380 Q381	V113-D378 HydrophobicContact CG1-CB 3.96Å; P353-D378 WeakPolarHBondContact CD-OD1 3.37Å; P353-D378 WeakPolarHBondContact CG-OD1 3.24Å; P353-D378 WeakPolarHBondContact CG-OD2 3.46Å; D378-T380 VanDerWaalsContact CG-OG1 3.28Å; D378-T380 PolarHBondContact O-N 3.31Å; D378-T380 VanDerWaalsContact O-N 3.17Å; D378-T380 WeakPolarHBondContact OD1-CB 3.5Å; D378-T380 PolarHBondContact OD1-N 3.34Å; D378-T380 PolarHBondContact OD1-OG1 3.17Å; D378-Q381 HydrophobicContact CB-CB 4.43Å; D378-Q381 HydrophobicContact CB-CG 3.9Å; D378-Q381 WeakPolarHBondContact O-CB 3.42Å; D378-Q381 PolarHBondContact O-N 3.47Å
379	L	94.7	Very high	93.7	Very high	3 Å²	3	28 Å²	28	2%	0.016	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.4	-178.2	-77.1	173.4	0	0	0	113.6	F350 I351 N352 Q381 G383 P384 T407 W410	F350-L379 HydrophobicContact CB-CD1 4.04Å; F350-L379 HydrophobicContact CB-CD2 3.88Å; F350-L379 HydrophobicContact CB-CG 3.93Å; F350-L379 HydrophobicContact CD1-CD2 3.83Å; F350-L379 HydrophobicContact CG-CD2 4.07Å; I351-L379 WeakPolarHBondContact O-CB 3.28Å; I351-L379 PolarHBondContact O-N 3.49Å; N352-L379 HydrophobicContact CB-CD1 4.33Å; L379-Q381 PolarHBondContact O-N 2.82Å; L379-G383 WeakPolarHBondContact O-CA 3.43Å; L379-G383 PolarHBondContact O-N 2.81Å; L379-P384 HydrophobicContact CD2-CB 3.84Å; L379-P384 HydrophobicContact CD2-CG 4.12Å; L379-T407 HydrophobicContact CD1-CG2 3.41Å; L379-T407 VanDerWaalsContact CD1-CG2 3.41Å; L379-W410 HydrophobicContact CB-CH2 4.43Å; L379-W410 HydrophobicContact CB-CZ3 3.85Å; L379-W410 HydrophobicContact CD1-CE3 4.43Å; L379-W410 HydrophobicContact CD1-CZ3 4.49Å; L379-W410 HydrophobicContact CD2-CE3 4.44Å; L379-W410 HydrophobicContact CD2-CZ3 4.28Å; L379-W410 HydrophobicContact CG-CZ3 4.46Å; L379-W410 VanDerWaalsContact O-CH2 3.3Å; L379-W410 WeakPolarHBondContact O-CH2 3.21Å
380	T	90.1	Very high	93.4	Very high	73 Å²	73	27.1 Å²	27.1	45%	0.448	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-16.5	172.2	68.3	0	0	0	0	112.8	P353 D378 G382	P353-T380 HydrophobicContact CG-CG2 4.37Å; D378-T380 VanDerWaalsContact CG-OG1 3.28Å; D378-T380 PolarHBondContact O-N 3.31Å; D378-T380 VanDerWaalsContact O-N 3.17Å; D378-T380 WeakPolarHBondContact OD1-CB 3.5Å; D378-T380 PolarHBondContact OD1-N 3.34Å; D378-T380 PolarHBondContact OD1-OG1 3.17Å; T380-G382 PolarHBondContact O-N 3.1Å
381	Q	88.4	Confident	93.3	Very high	117 Å²	117	26.2 Å²	26.2	55%	0.547	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	63.3	-178	-55.3	-59.1	-57.4	0	0	110.9	D378 L379	D378-Q381 HydrophobicContact CB-CB 4.43Å; D378-Q381 HydrophobicContact CB-CG 3.9Å; D378-Q381 WeakPolarHBondContact O-CB 3.42Å; D378-Q381 PolarHBondContact O-N 3.47Å; L379-Q381 PolarHBondContact O-N 2.82Å
382	G	83.4	Confident	92.9	Very high	68 Å²	68	29.1 Å²	29.1	70%	0.701	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.7	9.3	176.8	0	0	0	0	0	116.1	T380	T380-G382 PolarHBondContact O-N 3.1Å
383	G	92.7	Very high	92.3	Very high	5 Å²	5	32 Å²	32	5%	0.052	17%	0.172	C	C	.	.			trans	70.3	-167.2	176.4	0	0	0	0	0	114.5	L379	L379-G383 WeakPolarHBondContact O-CA 3.43Å; L379-G383 PolarHBondContact O-N 2.81Å
384	P	96.2	Very high	91.8	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.013	18%	0.175	C	C	.	.	S	Bend	trans	-81	-18.7	-171.3	29	-30.3	0	0	0	114	F350 L379 M386 G387 L388 V411 V414	F350-P384 HydrophobicContact CD1-CB 3.91Å; F350-P384 HydrophobicContact CD2-CB 4.18Å; F350-P384 VanDerWaalsContact CE1-CA 3.46Å; F350-P384 HydrophobicContact CE1-CB 3.78Å; F350-P384 WeakPolarHBondContact CE1-O 3.37Å; F350-P384 HydrophobicContact CE2-CB 4.03Å; F350-P384 HydrophobicContact CG-CB 4.16Å; F350-P384 HydrophobicContact CZ-CB 3.85Å; F350-P384 VanDerWaalsContact CZ-O 3.32Å; F350-P384 WeakPolarHBondContact CZ-O 2.96Å; L379-P384 HydrophobicContact CD2-CB 3.84Å; L379-P384 HydrophobicContact CD2-CG 4.12Å; P384-M386 PolarHBondContact O-N 3.27Å; P384-G387 PolarHBondContact O-N 2.88Å; P384-G387 VanDerWaalsContact O-N 3.11Å; P384-L388 HydrophobicContact CB-CD1 4.28Å; P384-L388 PolarHBondContact O-N 2.99Å; P384-L388 VanDerWaalsContact O-N 3.1Å; P384-V411 HydrophobicContact CB-CG2 4.12Å; P384-V411 HydrophobicContact CG-CG2 4.31Å; P384-V414 HydrophobicContact CG-CB 3.91Å; P384-V414 HydrophobicContact CG-CG1 4.14Å; P384-V414 HydrophobicContact CG-CG2 3.83Å
385	K	94.1	Very high	91.1	Very high	109 Å²	109	33.3 Å²	33.3	47%	0.474	18%	0.182	S	C	.	.	H	α-helix	trans	-55.4	-47.5	-171.2	-172.5	172.7	-179.8	174.5	0	112.4	G387 L388 D389 V414 I418	K385-G387 VanDerWaalsContact C-N 3.32Å; K385-G387 PolarHBondContact O-N 3.09Å; K385-L388 PolarHBondContact O-N 2.84Å; K385-D389 WeakPolarHBondContact CE-OD2 3.47Å; K385-D389 WeakPolarHBondContact O-CB 3.48Å; K385-D389 PolarHBondContact O-N 3.44Å; K385-V414 HydrophobicContact CB-CG1 3.71Å; K385-V414 HydrophobicContact CG-CG1 4.2Å; K385-I418 HydrophobicContact CG-CG1 4.38Å
386	M	90.4	Very high	90.5	Very high	78 Å²	78	34.8 Å²	34.8	38%	0.384	19%	0.19	S	C	.	.	H	α-helix	trans	-58.4	-42.1	-179.7	-173.4	-177.7	76.5	0	0	112.3	W116 F377 P384 M390	W116-M386 HydrophobicContact CB-CE 4.49Å; W116-M386 HydrophobicContact CB-SD 4.46Å; W116-M386 HydrophobicContact CD2-CE 4.49Å; W116-M386 HydrophobicContact CG-CE 3.95Å; W116-M386 HydrophobicContact CG-SD 4.46Å; F377-M386 HydrophobicContact CD1-CE 4.14Å; F377-M386 HydrophobicContact CE1-CE 3.89Å; P384-M386 PolarHBondContact O-N 3.27Å; M386-M390 WeakPolarHBondContact O-CB 3.27Å; M386-M390 PolarHBondContact O-N 3.18Å
387	G	93.1	Very high	90.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.1	-42.4	178.9	0	0	0	0	0	112.5	F377 P384 K385 M390 F391	F377-G387 VanDerWaalsContact CZ-CA 3.41Å; P384-G387 PolarHBondContact O-N 2.88Å; P384-G387 VanDerWaalsContact O-N 3.11Å; K385-G387 VanDerWaalsContact C-N 3.32Å; K385-G387 PolarHBondContact O-N 3.09Å; G387-M390 PolarHBondContact O-N 3.26Å; G387-F391 WeakPolarHBondContact O-CD2 3.28Å; G387-F391 PolarHBondContact O-N 2.92Å
388	L	94.6	Very high	90.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.7	-48.8	176.9	-66.3	170.1	0	0	0	111.7	I348 F350 P384 K385 M390 F391 R392 V399 V414 L415 I418	I348-L388 HydrophobicContact CD1-CD2 4.25Å; F350-L388 HydrophobicContact CE2-CD2 4.01Å; F350-L388 HydrophobicContact CE2-CG 4.05Å; F350-L388 HydrophobicContact CZ-CD2 4.29Å; F350-L388 HydrophobicContact CZ-CG 3.95Å; P384-L388 HydrophobicContact CB-CD1 4.28Å; P384-L388 PolarHBondContact O-N 2.99Å; P384-L388 VanDerWaalsContact O-N 3.1Å; K385-L388 PolarHBondContact O-N 2.84Å; L388-M390 VanDerWaalsContact C-N 3.29Å; L388-M390 PolarHBondContact O-N 3.14Å; L388-F391 PolarHBondContact O-N 3.25Å; L388-R392 WeakPolarHBondContact O-CB 3.45Å; L388-R392 PolarHBondContact O-N 2.84Å; L388-V399 HydrophobicContact CD2-CG2 4.1Å; L388-V414 HydrophobicContact CD1-CB 4.49Å; L388-V414 HydrophobicContact CD1-CG1 3.98Å; L388-L415 HydrophobicContact CD1-CD2 3.9Å; L388-L415 HydrophobicContact CD1-CG 3.96Å; L388-L415 HydrophobicContact CD2-CD2 3.8Å; L388-L415 HydrophobicContact CD2-CG 4.44Å; L388-L415 HydrophobicContact CG-CD2 4.41Å; L388-I418 HydrophobicContact CB-CD1 3.43Å; L388-I418 VanDerWaalsContact CB-CD1 3.43Å; L388-I418 HydrophobicContact CD1-CD1 3.79Å; L388-I418 HydrophobicContact CG-CD1 4.25Å
389	D	89.7	Confident	90.3	Very high	29 Å²	29	34.3 Å²	34.3	16%	0.155	19%	0.186	C	C	.	.	H	α-helix	trans	-67.2	-25.3	178.7	-100.5	-44.3	0	0	0	114.2	R332 K385 R392	R332-D389 PolarHBondContact NH1-O 2.79Å; R332-D389 VanDerWaalsContact NH1-O 3.14Å; R332-D389 IonicContact NH2-OD1 2.93Å; K385-D389 WeakPolarHBondContact CE-OD2 3.47Å; K385-D389 WeakPolarHBondContact O-CB 3.48Å; K385-D389 PolarHBondContact O-N 3.44Å; D389-R392 IonicContact OD1-NH1 3.26Å
390	M	89.3	Confident	90.5	Very high	26 Å²	26	34.2 Å²	34.2	13%	0.128	19%	0.186	C	C	.	.	H	α-helix	trans	-81.4	-39.5	178.2	-178.4	64.4	70.8	0	0	111.6	W116 F334 V336 M386 G387 L388	W116-M390 HydrophobicContact CE3-CE 4.02Å; W116-M390 HydrophobicContact CH2-CG 4.15Å; W116-M390 HydrophobicContact CZ3-CE 4.04Å; W116-M390 HydrophobicContact CZ3-CG 4.07Å; W116-M390 HydrophobicContact CZ3-SD 4.17Å; F334-M390 HydrophobicContact CB-CE 3.85Å; F334-M390 HydrophobicContact CB-SD 4.22Å; V336-M390 WeakPolarHBondContact CB-O 2.98Å; V336-M390 HydrophobicContact CG2-CG 3.73Å; V336-M390 HydrophobicContact CG2-SD 4Å; M386-M390 WeakPolarHBondContact O-CB 3.27Å; M386-M390 PolarHBondContact O-N 3.18Å; G387-M390 PolarHBondContact O-N 3.26Å; L388-M390 VanDerWaalsContact C-N 3.29Å; L388-M390 PolarHBondContact O-N 3.14Å
391	F	91.9	Very high	90.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-98	4.5	-176.8	-73.2	-103.4	0	0	0	113.9	W116 V268 I273 V336 I348 R374 F377 G387 L388 K393 A394 L397	W116-F391 HydrophobicContact CH2-CE2 4.09Å; W116-F391 HydrophobicContact CH2-CZ 4.44Å; V268-F391 HydrophobicContact CB-CE1 4.22Å; V268-F391 HydrophobicContact CG1-CE1 4.03Å; V268-F391 HydrophobicContact CG2-CD1 4.39Å; V268-F391 HydrophobicContact CG2-CE1 3.95Å; I273-F391 HydrophobicContact CD1-CZ 4.15Å; V336-F391 HydrophobicContact CG1-CD1 4.26Å; V336-F391 HydrophobicContact CG1-CE1 4.33Å; V336-F391 HydrophobicContact CG2-CD1 4.31Å; V336-F391 HydrophobicContact CG2-CD2 4.27Å; V336-F391 HydrophobicContact CG2-CE1 4.11Å; V336-F391 HydrophobicContact CG2-CE2 4.04Å; V336-F391 HydrophobicContact CG2-CG 4.39Å; V336-F391 HydrophobicContact CG2-CZ 3.97Å; I348-F391 HydrophobicContact CD1-CB 4.48Å; I348-F391 HydrophobicContact CG2-CB 4.28Å; I348-F391 HydrophobicContact CG2-CD1 3.79Å; I348-F391 HydrophobicContact CG2-CD2 4.22Å; I348-F391 HydrophobicContact CG2-CE1 4.17Å; I348-F391 HydrophobicContact CG2-CG 3.82Å; R374-F391 WeakPolarHBondContact O-CZ 3.29Å; F377-F391 HydrophobicContact CE2-CD2 4.4Å; F377-F391 HydrophobicContact CE2-CE2 4.15Å; F377-F391 HydrophobicContact CZ-CD2 4.14Å; F377-F391 AromaticContact CZ-CE2 3.77Å; F377-F391 HydrophobicContact CZ-CE2 3.77Å; G387-F391 WeakPolarHBondContact O-CD2 3.28Å; G387-F391 PolarHBondContact O-N 2.92Å; L388-F391 PolarHBondContact O-N 3.25Å; F391-K393 PolarHBondContact O-N 2.84Å; F391-A394 WeakPolarHBondContact O-CB 3.49Å; F391-A394 PolarHBondContact O-N 2.96Å; F391-L397 HydrophobicContact CB-CD1 4.39Å; F391-L397 HydrophobicContact CB-CD2 4.28Å
392	R	89.1	Confident	91.3	Very high	61 Å²	61	25.1 Å²	25.1	23%	0.23	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-13.9	-175	69.9	176.3	-65.2	136.6	7.9	117.7	L388 D389 P420 P421 L422	L388-R392 WeakPolarHBondContact O-CB 3.45Å; L388-R392 PolarHBondContact O-N 2.84Å; D389-R392 IonicContact OD1-NH1 3.26Å; R392-P420 PolarHBondContact NH1-O 2.98Å; R392-P420 PolarHBondContact NH2-O 3.5Å; R392-P421 PolarHBondContact NH2-O 2.85Å; R392-L422 HydrophobicContact CB-CD2 4.15Å; R392-L422 HydrophobicContact CB-CG 4.12Å
393	K	82.9	Confident	91.8	Very high	60 Å²	60	21.9 Å²	21.9	26%	0.261	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-3.5	174	-73	-163.1	168.7	-162.5	0	113.4	P338 F391 C759 C778 D779 A781	P338-K393 HydrophobicContact CG-CB 4.48Å; F391-K393 PolarHBondContact O-N 2.84Å; K393-C759 PolarHBondContact NZ-SG 3.07Å; K393-C778 WeakPolarHBondContact CD-O 3.5Å; K393-C778 WeakPolarHBondContact CE-O 3.1Å; K393-C778 PolarHBondContact NZ-O 2.9Å; K393-D779 PolarHBondContact NZ-O 3.5Å; K393-A781 PolarHBondContact NZ-O 2.84Å
394	A	86.4	Confident	91.7	Very high	8 Å²	8	22.2 Å²	22.2	7%	0.066	11%	0.108	C	C	.	.			trans	-71.5	123.4	-174.7	0	0	0	0	0	112	P338 P346 F391 L397	P338-A394 HydrophobicContact CG-CB 4.32Å; P346-A394 HydrophobicContact CG-CB 3.9Å; F391-A394 WeakPolarHBondContact O-CB 3.49Å; F391-A394 PolarHBondContact O-N 2.96Å; A394-L397 HydrophobicContact CB-CB 4.22Å; A394-L397 HydrophobicContact CB-CD1 4.2Å
395	P	80.6	Confident	91.4	Very high	22 Å²	22	23.3 Å²	23.3	14%	0.143	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	146.8	176.8	29.6	-35.6	0	0	0	110	W272 P346 L397 L686	W272-P395 HydrophobicContact CH2-CG 4.47Å; P346-P395 WeakPolarHBondContact CD-O 3.35Å; P346-P395 WeakPolarHBondContact CG-O 3.36Å; P395-L397 PolarHBondContact O-N 3.15Å; P395-L686 HydrophobicContact CB-CD2 4.32Å
396	N	84.6	Confident	91.2	Very high	32 Å²	32	20.2 Å²	20.2	17%	0.171	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	28.2	177.7	-59	-47.3	0	0	0	115.1	V344 I345 R398	V344-N396 WeakPolarHBondContact O-CB 3.25Å; V344-N396 PolarHBondContact O-ND2 3.02Å; I345-N396 HydrophobicContact CB-CB 4.46Å; I345-N396 HydrophobicContact CG1-CB 4.31Å; I345-N396 HydrophobicContact CG2-CB 4.38Å; N396-R398 PolarHBondContact O-N 3.41Å
397	L	91.7	Very high	91.4	Very high	12 Å²	12	17.2 Å²	17.2	6%	0.063	10%	0.099	C	C	.	.			trans	-56.4	124.7	-174.9	179.5	63.6	0	0	0	112.1	P346 I348 F391 A394 P395 P426	P346-L397 HydrophobicContact CG-CD1 4.39Å; I348-L397 HydrophobicContact CD1-CD1 4.3Å; I348-L397 HydrophobicContact CD1-CD2 4.5Å; I348-L397 HydrophobicContact CG1-CD1 4.11Å; I348-L397 HydrophobicContact CG2-CD1 4.1Å; F391-L397 HydrophobicContact CB-CD1 4.39Å; F391-L397 HydrophobicContact CB-CD2 4.28Å; A394-L397 HydrophobicContact CB-CB 4.22Å; A394-L397 HydrophobicContact CB-CD1 4.2Å; P395-L397 PolarHBondContact O-N 3.15Å; L397-P426 HydrophobicContact CB-CB 4.08Å; L397-P426 HydrophobicContact CD2-CB 4Å; L397-P426 HydrophobicContact CD2-CG 4.37Å; L397-P426 HydrophobicContact CG-CB 3.88Å; L397-P426 WeakPolarHBondContact O-CA 3.18Å; L397-P426 WeakPolarHBondContact O-CB 3.35Å
398	R	95.2	Very high	91.5	Very high	15 Å²	15	17.2 Å²	17.2	6%	0.057	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	142.2	173.1	-68.6	-173.8	-175	-145.9	-4.4	110.6	I345 P346 V347 I348 N396 I461 G462 S464 L671	I345-R398 VanDerWaalsContact CG2-CD 3.48Å; I345-R398 HydrophobicContact CG2-CG 3.88Å; P346-R398 PolarHBondContact O-N 2.88Å; V347-R398 WeakPolarHBondContact CA-O 3.48Å; V347-R398 HydrophobicContact CG2-CB 4.23Å; I348-R398 PolarHBondContact N-O 2.98Å; N396-R398 PolarHBondContact O-N 3.41Å; R398-I461 WeakPolarHBondContact CD-O 3.35Å; R398-I461 PolarHBondContact NH1-O 2.83Å; R398-G462 PolarHBondContact NH1-O 2.89Å; R398-S464 PolarHBondContact NH1-O 2.88Å; R398-S464 PolarHBondContact NH1-OG 3.38Å; R398-S464 VanDerWaalsContact NH1-OG 3.09Å; R398-S464 PolarHBondContact NH2-O 3.37Å; R398-L671 HydrophobicContact CB-CD1 4.11Å; R398-L671 HydrophobicContact CG-CD1 4.15Å
399	V	97.9	Very high	91.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.8	179.5	178	0	0	0	0	109.3	I348 F350 L388 V411 P426 A427 V428 G429	I348-V399 HydrophobicContact CD1-CG2 4.15Å; I348-V399 HydrophobicContact CG1-CG2 3.96Å; F350-V399 HydrophobicContact CD2-CG1 3.52Å; F350-V399 HydrophobicContact CE2-CG1 3.74Å; L388-V399 HydrophobicContact CD2-CG2 4.1Å; V399-V411 HydrophobicContact CG1-CG1 3.97Å; V399-P426 HydrophobicContact CG2-CB 4.06Å; V399-P426 HydrophobicContact CG2-CG 4.17Å; V399-A427 PolarHBondContact N-O 3.5Å; V399-V428 HydrophobicContact CB-CG2 4.26Å; V399-V428 HydrophobicContact CG1-CG1 4.43Å; V399-G429 PolarHBondContact O-N 2.8Å
400	L	98.1	Very high	91.8	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	109.7	172.6	177.9	56.6	0	0	0	110.3	V347 I348 V349 F350 F367 L431 I457 L458 I461	V347-L400 HydrophobicContact CG1-CB 4.1Å; I348-L400 PolarHBondContact O-N 2.89Å; V349-L400 WeakPolarHBondContact CA-O 3.5Å; V349-L400 HydrophobicContact CG1-CB 4.29Å; V349-L400 HydrophobicContact CG1-CD2 4.16Å; V349-L400 HydrophobicContact CG1-CG 4.2Å; V349-L400 HydrophobicContact CG2-CB 4.31Å; V349-L400 HydrophobicContact CG2-CD2 4.34Å; F350-L400 PolarHBondContact N-O 3.16Å; F367-L400 HydrophobicContact CE1-CD2 3.75Å; F367-L400 HydrophobicContact CZ-CD2 3.81Å; L400-L431 HydrophobicContact CD1-CB 4.09Å; L400-I457 HydrophobicContact CD2-CG2 4.42Å; L400-L458 HydrophobicContact CD2-CD2 4.42Å; L400-I461 HydrophobicContact CD1-CD1 3.8Å; L400-I461 HydrophobicContact CD1-CG1 4.08Å; L400-I461 HydrophobicContact CD2-CG1 4.4Å
401	A	97.8	Very high	92.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	110.6	175.3	0	0	0	0	0	110.8	V408 V411 V428 G429 L431	A401-V408 HydrophobicContact CB-CG2 4.16Å; A401-V411 HydrophobicContact CB-CG2 4.36Å; A401-V428 HydrophobicContact CB-CG1 4.41Å; A401-G429 PolarHBondContact N-O 3.07Å; A401-L431 PolarHBondContact O-N 3.49Å
402	C	97	Very high	92.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	96.6	177.6	-61.4	0	0	0	0	110.4	F350 I351 N352 L431 L433	F350-C402 WeakPolarHBondContact O-CB 3.5Å; F350-C402 PolarHBondContact O-N 2.99Å; I351-C402 HydrophobicContact CB-CB 4.31Å; I351-C402 HydrophobicContact CG1-CB 4Å; I351-C402 HydrophobicContact CG2-CB 4.22Å; N352-C402 PolarHBondContact N-O 3.03Å; N352-C402 VanDerWaalsContact N-O 3.09Å; C402-L431 HydrophobicContact CB-CB 4.28Å; C402-L431 HydrophobicContact CB-CD2 4.4Å; C402-L433 HydrophobicContact CB-CD1 4Å
403	G	93.6	Very high	92.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.1	-159.9	-174.1	0	0	0	0	0	113.7	L431 L433 G434	G403-L431 PolarHBondContact N-O 2.93Å; G403-L433 PolarHBondContact O-N 2.91Å; G403-G434 PolarHBondContact O-N 2.85Å
404	G	90.6	Very high	93.3	Very high	12 Å²	12	17 Å²	17	12%	0.124	10%	0.104	C	C	.	.			trans	-93.9	-177.7	164.2	0	0	0	0	0	111.7	G406 T407 V408	G404-G406 PolarHBondContact O-N 3.13Å; G404-T407 PolarHBondContact N-OG1 2.97Å; G404-T407 WeakPolarHBondContact O-CA 3.35Å; G404-T407 WeakPolarHBondContact O-CB 3.39Å; G404-T407 PolarHBondContact O-N 3.14Å; G404-V408 PolarHBondContact O-N 3.24Å
405	D	90.2	Very high	93.7	Very high	24 Å²	24	18.2 Å²	18.2	13%	0.128	11%	0.11	C	C	.	.	H	α-helix	trans	-53.1	-49.9	-175.1	-51.1	-95.9	0	0	0	112.7	T407 V408 G409 N437 D438 L439 N501	D405-T407 PolarHBondContact O-N 3.05Å; D405-T407 VanDerWaalsContact O-N 3.12Å; D405-V408 WeakPolarHBondContact O-CA 3.18Å; D405-V408 WeakPolarHBondContact O-CB 3.35Å; D405-V408 PolarHBondContact O-N 2.85Å; D405-G409 PolarHBondContact O-N 3.4Å; D405-N437 WeakPolarHBondContact OD1-CA 3.5Å; D405-N437 WeakPolarHBondContact OD2-CA 3.47Å; D405-N437 PolarHBondContact OD2-N 3.22Å; D405-D438 PolarHBondContact OD1-N 2.9Å; D405-L439 WeakPolarHBondContact OD1-CB 3.12Å; D405-L439 PolarHBondContact OD1-N 2.94Å; D405-N501 PolarHBondContact OD1-ND2 3.19Å
406	G	90.9	Very high	94.3	Very high	45 Å²	45	20.5 Å²	20.5	46%	0.464	12%	0.121	S	C	.	.	H	α-helix	trans	-62.2	-18.4	174.6	0	0	0	0	0	115.4	G404 W410	G404-G406 PolarHBondContact O-N 3.13Å; G406-W410 WeakPolarHBondContact O-CB 3.42Å; G406-W410 PolarHBondContact O-N 3.17Å
407	T	93.7	Very high	94.7	Very high	14 Å²	14	25.3 Å²	25.3	9%	0.086	14%	0.142	C	C	.	.	H	α-helix	trans	-75	-32.9	169.7	-52.4	0	0	0	0	111.4	N352 L379 G404 D405 V411	N352-T407 HydrophobicContact CB-CG2 3.97Å; N352-T407 PolarHBondContact ND2-OG1 3.37Å; L379-T407 HydrophobicContact CD1-CG2 3.41Å; L379-T407 VanDerWaalsContact CD1-CG2 3.41Å; G404-T407 PolarHBondContact N-OG1 2.97Å; G404-T407 WeakPolarHBondContact O-CA 3.35Å; G404-T407 WeakPolarHBondContact O-CB 3.39Å; G404-T407 PolarHBondContact O-N 3.14Å; D405-T407 PolarHBondContact O-N 3.05Å; D405-T407 VanDerWaalsContact O-N 3.12Å; T407-V411 WeakPolarHBondContact O-CG2 3.31Å; T407-V411 PolarHBondContact O-N 3.3Å
408	V	95.3	Very high	94.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-72.7	-45.7	172.2	-166.5	0	0	0	0	109.8	A401 G404 D405 W410 V411 L412 V428 V430 L439 M670	A401-V408 HydrophobicContact CB-CG2 4.16Å; G404-V408 PolarHBondContact O-N 3.24Å; D405-V408 WeakPolarHBondContact O-CA 3.18Å; D405-V408 WeakPolarHBondContact O-CB 3.35Å; D405-V408 PolarHBondContact O-N 2.85Å; V408-W410 VanDerWaalsContact C-N 3.27Å; V408-W410 PolarHBondContact O-N 3.04Å; V408-V411 PolarHBondContact O-N 3.09Å; V408-L412 HydrophobicContact CG1-CD1 4.34Å; V408-L412 WeakPolarHBondContact O-CG 3.38Å; V408-L412 PolarHBondContact O-N 3.33Å; V408-V428 HydrophobicContact CG1-CG1 4.04Å; V408-V430 HydrophobicContact CB-CG2 4.49Å; V408-V430 HydrophobicContact CG1-CG2 3.97Å; V408-V430 HydrophobicContact CG2-CB 4.32Å; V408-V430 HydrophobicContact CG2-CG1 3.72Å; V408-V430 HydrophobicContact CG2-CG2 3.68Å; V408-L439 HydrophobicContact CB-CD2 4.01Å; V408-L439 HydrophobicContact CG1-CD2 3.77Å; V408-L439 HydrophobicContact CG2-CD2 4.38Å; V408-M670 HydrophobicContact CG1-CE 3.97Å
409	G	94.9	Very high	94.2	Very high	13 Å²	13	31.9 Å²	31.9	13%	0.134	17%	0.173	C	C	.	.	H	α-helix	trans	-54.7	-39.8	174.3	0	0	0	0	0	113	D405 L412 S413	D405-G409 PolarHBondContact O-N 3.4Å; G409-L412 PolarHBondContact O-N 3.26Å; G409-S413 WeakPolarHBondContact O-CB 3.49Å; G409-S413 PolarHBondContact O-N 3.29Å; G409-S413 PolarHBondContact O-OG 3.12Å
410	W	95.3	Very high	93.6	Very high	109 Å²	109	35.5 Å²	35.5	41%	0.413	20%	0.196	S	C	.	.	H	α-helix	trans	-64.2	-43.4	174.3	-175.8	23.1	0	0	0	112.9	L379 G406 V408 L412 S413 V414	L379-W410 HydrophobicContact CB-CH2 4.43Å; L379-W410 HydrophobicContact CB-CZ3 3.85Å; L379-W410 HydrophobicContact CD1-CE3 4.43Å; L379-W410 HydrophobicContact CD1-CZ3 4.49Å; L379-W410 HydrophobicContact CD2-CE3 4.44Å; L379-W410 HydrophobicContact CD2-CZ3 4.28Å; L379-W410 HydrophobicContact CG-CZ3 4.46Å; L379-W410 VanDerWaalsContact O-CH2 3.3Å; L379-W410 WeakPolarHBondContact O-CH2 3.21Å; G406-W410 WeakPolarHBondContact O-CB 3.42Å; G406-W410 PolarHBondContact O-N 3.17Å; V408-W410 VanDerWaalsContact C-N 3.27Å; V408-W410 PolarHBondContact O-N 3.04Å; W410-L412 PolarHBondContact O-N 2.87Å; W410-S413 PolarHBondContact O-N 3.27Å; W410-S413 PolarHBondContact O-OG 3.49Å; W410-V414 WeakPolarHBondContact O-CG2 3.25Å; W410-V414 PolarHBondContact O-N 3.05Å; W410-V414 VanDerWaalsContact O-N 3.11Å
411	V	97.2	Very high	93.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.5	-44.5	175.7	172.1	0	0	0	0	110.7	F350 P384 V399 A401 T407 V408 V414 L415 V428	F350-V411 HydrophobicContact CB-CG2 4.36Å; F350-V411 HydrophobicContact CD2-CG1 4.35Å; F350-V411 HydrophobicContact CD2-CG2 4.08Å; F350-V411 HydrophobicContact CG-CG2 4.39Å; P384-V411 HydrophobicContact CB-CG2 4.12Å; P384-V411 HydrophobicContact CG-CG2 4.31Å; V399-V411 HydrophobicContact CG1-CG1 3.97Å; A401-V411 HydrophobicContact CB-CG2 4.36Å; T407-V411 WeakPolarHBondContact O-CG2 3.31Å; T407-V411 PolarHBondContact O-N 3.3Å; V408-V411 PolarHBondContact O-N 3.09Å; V411-V414 PolarHBondContact O-N 3.5Å; V411-L415 HydrophobicContact CG1-CD1 4.45Å; V411-L415 PolarHBondContact O-N 3.23Å; V411-V428 HydrophobicContact CG1-CG1 4.38Å; V411-V428 HydrophobicContact CG1-CG2 4.42Å
412	L	97.1	Very high	92.5	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-46.4	176	-66.3	174.1	0	0	0	111.9	V408 G409 W410 V414 L415 D416 V428 M469 A668 M670	V408-L412 HydrophobicContact CG1-CD1 4.34Å; V408-L412 WeakPolarHBondContact O-CG 3.38Å; V408-L412 PolarHBondContact O-N 3.33Å; G409-L412 PolarHBondContact O-N 3.26Å; W410-L412 PolarHBondContact O-N 2.87Å; L412-V414 PolarHBondContact O-N 2.95Å; L412-L415 HydrophobicContact CD2-CD1 4.4Å; L412-L415 WeakPolarHBondContact O-CB 3.2Å; L412-L415 PolarHBondContact O-N 2.86Å; L412-D416 PolarHBondContact O-N 3.25Å; L412-V428 HydrophobicContact CD2-CB 4.42Å; L412-V428 HydrophobicContact CD2-CG2 3.97Å; L412-M469 HydrophobicContact CD1-CE 4.02Å; L412-A668 HydrophobicContact CD2-CB 3.83Å; L412-M670 HydrophobicContact CD1-CE 4.49Å; L412-M670 HydrophobicContact CD1-SD 4.23Å; L412-M670 HydrophobicContact CD2-SD 3.97Å
413	S	95	Very high	91.7	Very high	36 Å²	36	47.3 Å²	47.3	25%	0.252	26%	0.258	S	S	.	.	H	α-helix	trans	-61.5	-28	178.8	72.5	0	0	0	0	113.4	G409 W410 D416 Q417	G409-S413 WeakPolarHBondContact O-CB 3.49Å; G409-S413 PolarHBondContact O-N 3.29Å; G409-S413 PolarHBondContact O-OG 3.12Å; W410-S413 PolarHBondContact O-N 3.27Å; W410-S413 PolarHBondContact O-OG 3.49Å; S413-D416 WeakPolarHBondContact CA-OD2 3.45Å; S413-Q417 WeakPolarHBondContact O-CG 3.42Å; S413-Q417 PolarHBondContact O-NE2 3.29Å; S413-Q417 VanDerWaalsContact O-NE2 3.09Å
414	V	96.3	Very high	91.1	Very high	11 Å²	11	49.9 Å²	49.9	7%	0.067	28%	0.275	C	S	.	.	H	α-helix	trans	-83	-31	176.2	173.3	0	0	0	0	111.4	P384 K385 L388 W410 V411 L412 D416 Q417 I418	P384-V414 HydrophobicContact CG-CB 3.91Å; P384-V414 HydrophobicContact CG-CG1 4.14Å; P384-V414 HydrophobicContact CG-CG2 3.83Å; K385-V414 HydrophobicContact CB-CG1 3.71Å; K385-V414 HydrophobicContact CG-CG1 4.2Å; L388-V414 HydrophobicContact CD1-CB 4.49Å; L388-V414 HydrophobicContact CD1-CG1 3.98Å; W410-V414 WeakPolarHBondContact O-CG2 3.25Å; W410-V414 PolarHBondContact O-N 3.05Å; W410-V414 VanDerWaalsContact O-N 3.11Å; V411-V414 PolarHBondContact O-N 3.5Å; L412-V414 PolarHBondContact O-N 2.95Å; V414-D416 VanDerWaalsContact C-N 3.31Å; V414-D416 PolarHBondContact O-N 3.34Å; V414-Q417 PolarHBondContact O-N 2.82Å; V414-Q417 VanDerWaalsContact O-N 3.12Å; V414-I418 HydrophobicContact CG1-CD1 4.12Å; V414-I418 HydrophobicContact CG1-CG1 4.4Å; V414-I418 WeakPolarHBondContact O-CG1 3.45Å; V414-I418 PolarHBondContact O-N 2.8Å
415	L	95.4	Very high	91.1	Very high	33 Å²	33	52.1 Å²	52.1	17%	0.173	29%	0.292	C	S	.	.	H	α-helix	trans	-60.5	-40.5	168.5	-76.1	166.9	0	0	0	111.5	L388 V411 L412 Q417 L422 P426 V428	L388-L415 HydrophobicContact CD1-CD2 3.9Å; L388-L415 HydrophobicContact CD1-CG 3.96Å; L388-L415 HydrophobicContact CD2-CD2 3.8Å; L388-L415 HydrophobicContact CD2-CG 4.44Å; L388-L415 HydrophobicContact CG-CD2 4.41Å; V411-L415 HydrophobicContact CG1-CD1 4.45Å; V411-L415 PolarHBondContact O-N 3.23Å; L412-L415 HydrophobicContact CD2-CD1 4.4Å; L412-L415 WeakPolarHBondContact O-CB 3.2Å; L412-L415 PolarHBondContact O-N 2.86Å; L415-Q417 PolarHBondContact O-N 3.09Å; L415-L422 HydrophobicContact CD2-CD1 4.18Å; L415-L422 HydrophobicContact CD2-CD2 4.31Å; L415-P426 HydrophobicContact CD2-CG 3.77Å; L415-V428 HydrophobicContact CD1-CG2 3.77Å
416	D	93.1	Very high	91.2	Very high	70 Å²	70	51.3 Å²	51.3	37%	0.374	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.1	173.9	-58.5	-52.1	0	0	0	113.4	L412 S413 V414 R471 N666	L412-D416 PolarHBondContact O-N 3.25Å; S413-D416 WeakPolarHBondContact CA-OD2 3.45Å; V414-D416 VanDerWaalsContact C-N 3.31Å; V414-D416 PolarHBondContact O-N 3.34Å; D416-R471 VanDerWaalsContact CG-NH1 3.25Å; D416-R471 IonicContact OD1-CZ 3.42Å; D416-R471 IonicContact OD1-NH1 2.82Å; D416-R471 PolarHBondContact OD1-NH1 3.11Å; D416-R471 IonicContact OD2-CZ 3.54Å; D416-R471 VanDerWaalsContact OD2-CZ 3.26Å; D416-R471 IonicContact OD2-NH1 2.69Å; D416-R471 PolarHBondContact OD2-NH1 2.86Å; D416-R471 IonicContact OD2-NH2 3.18Å; D416-R471 PolarHBondContact OD2-NH2 3.04Å; D416-N666 PolarHBondContact OD1-ND2 2.82Å
417	Q	93.1	Very high	91.4	Very high	133 Å²	133	49.4 Å²	49.4	62%	0.621	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-6.4	-171.9	-71.8	168.6	29.7	0	0	114.4	S413 V414 L415 Q419	S413-Q417 WeakPolarHBondContact O-CG 3.42Å; S413-Q417 PolarHBondContact O-NE2 3.29Å; S413-Q417 VanDerWaalsContact O-NE2 3.09Å; V414-Q417 PolarHBondContact O-N 2.82Å; V414-Q417 VanDerWaalsContact O-N 3.12Å; L415-Q417 PolarHBondContact O-N 3.09Å; Q417-Q419 PolarHBondContact O-N 2.81Å
418	I	90.5	Very high	91.6	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	26%	0.264	C	S	.	.			trans	-83.1	119.1	-179.8	-72.5	163.2	0	0	0	109.6	K385 L388 V414 P420 P421 L422	K385-I418 HydrophobicContact CG-CG1 4.38Å; L388-I418 HydrophobicContact CB-CD1 3.43Å; L388-I418 VanDerWaalsContact CB-CD1 3.43Å; L388-I418 HydrophobicContact CD1-CD1 3.79Å; L388-I418 HydrophobicContact CG-CD1 4.25Å; V414-I418 HydrophobicContact CG1-CD1 4.12Å; V414-I418 HydrophobicContact CG1-CG1 4.4Å; V414-I418 WeakPolarHBondContact O-CG1 3.45Å; V414-I418 PolarHBondContact O-N 2.8Å; I418-P420 CarbonylContact O-C 3.58Å; I418-P420 VanDerWaalsContact O-C 3.23Å; I418-P421 VanDerWaalsContact O-CA 3.26Å; I418-P421 WeakPolarHBondContact O-CA 3.39Å; I418-L422 HydrophobicContact CB-CD1 3.93Å; I418-L422 HydrophobicContact CD1-CD1 3.9Å; I418-L422 HydrophobicContact CG2-CD1 3.58Å
419	Q	85.5	Confident	91.7	Very high	162 Å²	162	48.7 Å²	48.7	76%	0.757	26%	0.264	S	S	*	.	S	Bend	trans	-115.2	130	-179.9	-168.3	65.8	13	0	0	111.2	Q417	Q417-Q419 PolarHBondContact O-N 2.81Å
420	P	85.3	Confident	91.7	Very high	76 Å²	76	48.3 Å²	48.3	49%	0.494	26%	0.258	S	S	.	.	S	Bend	cis	-63.9	155.4	-13	29.2	-33.7	0	0	0	111	R392 I418	R392-P420 PolarHBondContact NH1-O 2.98Å; R392-P420 PolarHBondContact NH2-O 3.5Å; I418-P420 CarbonylContact O-C 3.58Å; I418-P420 VanDerWaalsContact O-C 3.23Å
421	P	86.6	Confident	91.8	Very high	69 Å²	69	43.4 Å²	43.4	45%	0.448	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-53.6	161.5	179.5	-28.5	37	0	0	0	113.7	R392 I418	R392-P421 PolarHBondContact NH2-O 2.85Å; I418-P421 VanDerWaalsContact O-CA 3.26Å; I418-P421 WeakPolarHBondContact O-CA 3.39Å
422	L	86.6	Confident	91.6	Very high	13 Å²	13	43.6 Å²	43.6	7%	0.068	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-76.7	128.5	170.3	-73.3	78.9	0	0	0	108.7	R392 L415 I418 P424 A425 P426	R392-L422 HydrophobicContact CB-CD2 4.15Å; R392-L422 HydrophobicContact CB-CG 4.12Å; L415-L422 HydrophobicContact CD2-CD1 4.18Å; L415-L422 HydrophobicContact CD2-CD2 4.31Å; I418-L422 HydrophobicContact CB-CD1 3.93Å; I418-L422 HydrophobicContact CD1-CD1 3.9Å; I418-L422 HydrophobicContact CG2-CD1 3.58Å; L422-P424 CarbonylContact C-O 3.56Å; L422-P424 CarbonylContact O-C 3.56Å; L422-A425 PolarHBondContact O-N 2.83Å; L422-P426 HydrophobicContact CD2-CG 3.85Å
423	Q	80	Confident	91.4	Very high	167 Å²	167	43.4 Å²	43.4	78%	0.78	24%	0.241	S	C	*	.	S	Bend	trans	-127	118.1	173.5	-69.5	-175.1	-18.1	0	0	107.3
424	P	81.1	Confident	90.9	Very high	55 Å²	55	42.3 Å²	42.3	36%	0.357	24%	0.235	S	C	.	.	S	Bend	cis	-64	157.2	-9.8	26.8	-30.1	0	0	0	111.9	L422 E687	L422-P424 CarbonylContact C-O 3.56Å; L422-P424 CarbonylContact O-C 3.56Å; P424-E687 VanDerWaalsContact CB-OE1 3.29Å; P424-E687 WeakPolarHBondContact CB-OE1 3.17Å; P424-E687 WeakPolarHBondContact CD-OE1 3.36Å; P424-E687 WeakPolarHBondContact CD-OE2 3.06Å; P424-E687 WeakPolarHBondContact CG-OE1 3.43Å
425	A	89.3	Confident	90.2	Very high	59 Å²	59	43.6 Å²	43.6	49%	0.488	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-68.3	123.4	170.2	0	0	0	0	0	109.3	L422 L669	L422-A425 PolarHBondContact O-N 2.83Å; A425-L669 WeakPolarHBondContact O-CD2 3.37Å
426	P	93.8	Very high	89.5	Confident	6 Å²	6	43.3 Å²	43.3	4%	0.039	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-74.3	135.3	-172.9	31	-37	0	0	0	111.5	L397 V399 L415 L422	L397-P426 HydrophobicContact CB-CB 4.08Å; L397-P426 HydrophobicContact CD2-CB 4Å; L397-P426 HydrophobicContact CD2-CG 4.37Å; L397-P426 HydrophobicContact CG-CB 3.88Å; L397-P426 WeakPolarHBondContact O-CA 3.18Å; L397-P426 WeakPolarHBondContact O-CB 3.35Å; V399-P426 HydrophobicContact CG2-CB 4.06Å; V399-P426 HydrophobicContact CG2-CG 4.17Å; L415-P426 HydrophobicContact CD2-CG 3.77Å; L422-P426 HydrophobicContact CD2-CG 3.85Å
427	A	94.9	Very high	89.4	Confident	5 Å²	5	40 Å²	40	4%	0.041	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	130.9	-175.7	0	0	0	0	0	112.2	V399 L669 L671	V399-A427 PolarHBondContact N-O 3.5Å; A427-L669 WeakPolarHBondContact CA-O 3.38Å; A427-L669 HydrophobicContact CB-CB 4.5Å; A427-L669 HydrophobicContact CB-CD2 3.84Å; A427-L669 HydrophobicContact CB-CG 3.88Å; A427-L671 HydrophobicContact CB-CD1 4.44Å; A427-L671 HydrophobicContact CB-CD2 3.43Å; A427-L671 VanDerWaalsContact CB-CD2 3.43Å; A427-L671 HydrophobicContact CB-CG 3.73Å
428	V	97.8	Very high	89.4	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	116.7	-174.2	-173.2	0	0	0	0	112	V399 A401 V408 V411 L412 L415 L669 M670 L671	V399-V428 HydrophobicContact CB-CG2 4.26Å; V399-V428 HydrophobicContact CG1-CG1 4.43Å; A401-V428 HydrophobicContact CB-CG1 4.41Å; V408-V428 HydrophobicContact CG1-CG1 4.04Å; V411-V428 HydrophobicContact CG1-CG1 4.38Å; V411-V428 HydrophobicContact CG1-CG2 4.42Å; L412-V428 HydrophobicContact CD2-CB 4.42Å; L412-V428 HydrophobicContact CD2-CG2 3.97Å; L415-V428 HydrophobicContact CD1-CG2 3.77Å; V428-L669 PolarHBondContact N-O 2.89Å; V428-M670 HydrophobicContact CB-CE 4.22Å; V428-M670 HydrophobicContact CB-SD 4.07Å; V428-M670 HydrophobicContact CG1-CE 4.41Å; V428-M670 CarbonylContact O-C 3.56Å; V428-M670 WeakPolarHBondContact O-CA 3.42Å; V428-L671 PolarHBondContact O-N 3.15Å
429	G	96.3	Very high	89.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	159.7	170.4	0	0	0	0	0	112.9	V399 A401	V399-G429 PolarHBondContact O-N 2.8Å; A401-G429 PolarHBondContact N-O 3.07Å
430	V	95.9	Very high	90.1	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.024	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.3	-171.8	-172.2	0	0	0	0	110.9	V408 P432 A440 L443	V408-V430 HydrophobicContact CB-CG2 4.49Å; V408-V430 HydrophobicContact CG1-CG2 3.97Å; V408-V430 HydrophobicContact CG2-CB 4.32Å; V408-V430 HydrophobicContact CG2-CG1 3.72Å; V408-V430 HydrophobicContact CG2-CG2 3.68Å; V430-P432 WeakPolarHBondContact O-CD 3.4Å; V430-A440 HydrophobicContact CB-CB 4.35Å; V430-A440 HydrophobicContact CG1-CB 3.97Å; V430-L443 HydrophobicContact CG2-CD1 4.24Å
431	L	96.3	Very high	90.5	Very high	7 Å²	7	25.2 Å²	25.2	4%	0.037	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	106.1	162	-178.7	62.9	0	0	0	108.5	L363 F367 L400 A401 C402 G403 L433 Y449 I454 I457	L363-L431 HydrophobicContact CD1-CD2 3.66Å; F367-L431 HydrophobicContact CE2-CD2 4.23Å; F367-L431 HydrophobicContact CZ-CD2 4.06Å; L400-L431 HydrophobicContact CD1-CB 4.09Å; A401-L431 PolarHBondContact O-N 3.49Å; C402-L431 HydrophobicContact CB-CB 4.28Å; C402-L431 HydrophobicContact CB-CD2 4.4Å; G403-L431 PolarHBondContact N-O 2.93Å; L431-L433 HydrophobicContact CD2-CD2 4.4Å; L431-L433 HydrophobicContact CG-CD2 4.21Å; L431-L433 PolarHBondContact O-N 3.06Å; L431-Y449 HydrophobicContact CD1-CD2 3.8Å; L431-Y449 HydrophobicContact CD1-CG 4.22Å; L431-I454 HydrophobicContact CD2-CD1 4.47Å; L431-I457 HydrophobicContact CD1-CD1 3.69Å; L431-I457 HydrophobicContact CD1-CG1 4.46Å; L431-I457 HydrophobicContact CD1-CG2 4.37Å
432	P	94.7	Very high	90.8	Very high	4 Å²	4	23.4 Å²	23.4	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	99	-170.5	26	-35.4	0	0	0	112.9	V430 N437 A440 G446 G448 Y449	V430-P432 WeakPolarHBondContact O-CD 3.4Å; P432-N437 HydrophobicContact CB-CB 3.68Å; P432-A440 HydrophobicContact CB-CB 3.68Å; P432-A440 HydrophobicContact CG-CB 4.01Å; P432-G446 WeakPolarHBondContact CG-O 3.34Å; P432-G448 CarbonylContact O-C 3.56Å; P432-G448 WeakPolarHBondContact O-CA 3.33Å; P432-Y449 PolarHBondContact O-N 3.1Å
433	L	91.9	Very high	91.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.14	C	C	.	.			trans	-102.6	-12.7	174	-56	-173.4	0	0	0	113	G356 L363 C402 G403 L431 Y449	G356-L433 WeakPolarHBondContact CA-O 3.46Å; G356-L433 PolarHBondContact N-O 2.67Å; L363-L433 HydrophobicContact CD1-CD1 4.14Å; L363-L433 HydrophobicContact CD1-CD2 3.8Å; C402-L433 HydrophobicContact CB-CD1 4Å; G403-L433 PolarHBondContact O-N 2.91Å; L431-L433 HydrophobicContact CD2-CD2 4.4Å; L431-L433 HydrophobicContact CG-CD2 4.21Å; L431-L433 PolarHBondContact O-N 3.06Å; L433-Y449 HydrophobicContact CD2-CD1 4.16Å; L433-Y449 HydrophobicContact CD2-CG 4.24Å
434	G	85	Confident	91.7	Very high	13 Å²	13	16.8 Å²	16.8	13%	0.134	12%	0.123	C	C	.	.	S	Bend	trans	-72	-168.3	179	0	0	0	0	0	114.5	G403 N437 R529	G403-G434 PolarHBondContact O-N 2.85Å; G434-N437 VanDerWaalsContact C-ND2 3.29Å; G434-N437 WeakPolarHBondContact CA-OD1 3.4Å; G434-N437 PolarHBondContact N-OD1 2.72Å; G434-N437 PolarHBondContact O-ND2 3.2Å; G434-R529 WeakPolarHBondContact O-CD 3.32Å
435	T	81	Confident	92.3	Very high	38 Å²	38	15.5 Å²	15.5	23%	0.233	11%	0.111	C	C	.	.	S	Bend	trans	-101	-41.4	176.7	-54.9	0	0	0	0	112.4	N532 K533	T435-N532 HydrophobicContact CG2-CB 3.63Å; T435-N532 PolarHBondContact OG1-ND2 3.11Å; T435-K533 HydrophobicContact CG2-CG 3.71Å; T435-K533 WeakPolarHBondContact O-CE 3.37Å
436	G	80.8	Confident	92.3	Very high	27 Å²	27	14 Å²	14	28%	0.278	10%	0.101	S	C	.	.			trans	-67.9	-82.2	170.7	0	0	0	0	0	110	R441	G436-R441 VanDerWaalsContact O-CZ 3.26Å; G436-R441 PolarHBondContact O-NH1 2.86Å; G436-R441 PolarHBondContact O-NH2 2.79Å
437	N	91.3	Very high	92.1	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	12%	0.117	C	C	.	.			trans	66.5	32.1	-177.9	-48.5	-44.5	0	0	0	113.5	D405 P432 G434 L439 A440 R441 G447	D405-N437 WeakPolarHBondContact OD1-CA 3.5Å; D405-N437 WeakPolarHBondContact OD2-CA 3.47Å; D405-N437 PolarHBondContact OD2-N 3.22Å; P432-N437 HydrophobicContact CB-CB 3.68Å; G434-N437 VanDerWaalsContact C-ND2 3.29Å; G434-N437 WeakPolarHBondContact CA-OD1 3.4Å; G434-N437 PolarHBondContact N-OD1 2.72Å; G434-N437 PolarHBondContact O-ND2 3.2Å; N437-L439 VanDerWaalsContact C-N 3.32Å; N437-L439 PolarHBondContact O-N 3.36Å; N437-A440 HydrophobicContact CB-CB 4.12Å; N437-A440 WeakPolarHBondContact O-CB 3.13Å; N437-A440 PolarHBondContact O-N 2.78Å; N437-A440 VanDerWaalsContact O-N 3.16Å; N437-R441 PolarHBondContact O-N 2.86Å; N437-R441 VanDerWaalsContact O-N 3.15Å; N437-R441 PolarHBondContact O-NH1 2.79Å; N437-G447 PolarHBondContact ND2-O 3.49Å
438	D	93.6	Very high	91.8	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-63.5	-38.2	-176	-75.6	-70.7	0	0	0	111.9	D405 A440 R441 A442 I582 S584 Y585 G587 G588	D405-D438 PolarHBondContact OD1-N 2.9Å; D438-A440 VanDerWaalsContact C-N 3.28Å; D438-A440 PolarHBondContact O-N 2.97Å; D438-R441 WeakPolarHBondContact O-CB 3.43Å; D438-R441 PolarHBondContact O-N 2.72Å; D438-A442 PolarHBondContact O-N 3.02Å; D438-I582 HydrophobicContact CB-CD1 4.03Å; D438-S584 WeakPolarHBondContact CB-O 3.4Å; D438-S584 WeakPolarHBondContact O-CB 3.34Å; D438-S584 PolarHBondContact OD1-OG 3.34Å; D438-Y585 PolarHBondContact OD1-N 3.41Å; D438-G587 WeakPolarHBondContact OD1-CA 3.31Å; D438-G587 PolarHBondContact OD1-N 2.71Å; D438-G587 VanDerWaalsContact OD1-N 3.15Å; D438-G587 WeakPolarHBondContact OD2-CA 3.28Å; D438-G587 PolarHBondContact OD2-N 2.82Å; D438-G588 PolarHBondContact OD1-N 2.72Å
439	L	94.8	Very high	91.4	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-59.6	-40.2	172.7	-177.6	51.8	0	0	0	112.1	D405 V408 N437 R441 A442 L443 M469 N501 I582 M670	D405-L439 WeakPolarHBondContact OD1-CB 3.12Å; D405-L439 PolarHBondContact OD1-N 2.94Å; V408-L439 HydrophobicContact CB-CD2 4.01Å; V408-L439 HydrophobicContact CG1-CD2 3.77Å; V408-L439 HydrophobicContact CG2-CD2 4.38Å; N437-L439 VanDerWaalsContact C-N 3.32Å; N437-L439 PolarHBondContact O-N 3.36Å; L439-R441 VanDerWaalsContact C-N 3.29Å; L439-R441 PolarHBondContact O-N 3.12Å; L439-A442 PolarHBondContact O-N 3.33Å; L439-L443 HydrophobicContact CD1-CD1 3.85Å; L439-L443 HydrophobicContact CD1-CG 4.19Å; L439-L443 HydrophobicContact CG-CD1 4.06Å; L439-L443 WeakPolarHBondContact O-CB 3.27Å; L439-L443 WeakPolarHBondContact O-CG 3.35Å; L439-L443 PolarHBondContact O-N 3.4Å; L439-M469 HydrophobicContact CD1-SD 3.46Å; L439-M469 WeakPolarHBondContact CD1-SD 3.44Å; L439-N501 WeakPolarHBondContact CB-OD1 3.48Å; L439-I582 HydrophobicContact CB-CD1 4.36Å; L439-I582 HydrophobicContact CD1-CG2 4.49Å; L439-M670 HydrophobicContact CD2-CE 4.12Å
440	A	95.1	Very high	90.9	Very high	0 Å²	0	22 Å²	22	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-69.3	-25.2	177.9	0	0	0	0	0	112.8	V430 P432 N437 D438 G444 W445 G446	V430-A440 HydrophobicContact CB-CB 4.35Å; V430-A440 HydrophobicContact CG1-CB 3.97Å; P432-A440 HydrophobicContact CB-CB 3.68Å; P432-A440 HydrophobicContact CG-CB 4.01Å; N437-A440 HydrophobicContact CB-CB 4.12Å; N437-A440 WeakPolarHBondContact O-CB 3.13Å; N437-A440 PolarHBondContact O-N 2.78Å; N437-A440 VanDerWaalsContact O-N 3.16Å; D438-A440 VanDerWaalsContact C-N 3.28Å; D438-A440 PolarHBondContact O-N 2.97Å; A440-G444 CarbonylContact O-C 3.56Å; A440-G444 PolarHBondContact O-N 2.89Å; A440-W445 HydrophobicContact CB-CB 4.19Å; A440-W445 CarbonylContact O-C 3.57Å; A440-W445 WeakPolarHBondContact O-CA 3.4Å; A440-W445 PolarHBondContact O-N 2.81Å; A440-G446 WeakPolarHBondContact CB-O 3.17Å; A440-G446 PolarHBondContact O-N 2.91Å
441	R	93.6	Very high	90.4	Very high	55 Å²	55	26.7 Å²	26.7	21%	0.208	19%	0.186	C	C	.	.	H	α-helix	trans	-74.5	-46.4	170.7	-76.4	172.8	-164.4	72.6	-16.5	111.6	G436 N437 D438 L439 L443 G444 G447 G587 G588	G436-R441 VanDerWaalsContact O-CZ 3.26Å; G436-R441 PolarHBondContact O-NH1 2.86Å; G436-R441 PolarHBondContact O-NH2 2.79Å; N437-R441 PolarHBondContact O-N 2.86Å; N437-R441 VanDerWaalsContact O-N 3.15Å; N437-R441 PolarHBondContact O-NH1 2.79Å; D438-R441 WeakPolarHBondContact O-CB 3.43Å; D438-R441 PolarHBondContact O-N 2.72Å; L439-R441 VanDerWaalsContact C-N 3.29Å; L439-R441 PolarHBondContact O-N 3.12Å; R441-L443 VanDerWaalsContact C-N 3.27Å; R441-L443 PolarHBondContact O-N 2.87Å; R441-G444 PolarHBondContact O-N 3.32Å; R441-G447 VanDerWaalsContact CZ-CA 3.46Å; R441-G587 VanDerWaalsContact CZ-C 3.48Å; R441-G587 VanDerWaalsContact CZ-O 3.25Å; R441-G587 PolarHBondContact NE-O 2.76Å; R441-G587 PolarHBondContact NH2-O 3.01Å; R441-G588 VanDerWaalsContact NE-CA 3.35Å
442	A	93.3	Very high	90	Very high	31 Å²	31	28.4 Å²	28.4	26%	0.256	19%	0.194	S	C	.	.	H	α-helix	trans	-56.6	-43	176.5	0	0	0	0	0	111.6	D438 L439 G444 I582	D438-A442 PolarHBondContact O-N 3.02Å; L439-A442 PolarHBondContact O-N 3.33Å; A442-G444 VanDerWaalsContact C-N 3.27Å; A442-G444 PolarHBondContact O-N 2.82Å; A442-I582 HydrophobicContact CB-CB 4.01Å; A442-I582 HydrophobicContact CB-CD1 4.32Å; A442-I582 HydrophobicContact CB-CG2 4.37Å
443	L	93.6	Very high	89.7	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	7.7	175.5	-63.6	173.3	0	0	0	114.7	V430 L439 R441 W445 V467 I603 M670 K673	V430-L443 HydrophobicContact CG2-CD1 4.24Å; L439-L443 HydrophobicContact CD1-CD1 3.85Å; L439-L443 HydrophobicContact CD1-CG 4.19Å; L439-L443 HydrophobicContact CG-CD1 4.06Å; L439-L443 WeakPolarHBondContact O-CB 3.27Å; L439-L443 WeakPolarHBondContact O-CG 3.35Å; L439-L443 PolarHBondContact O-N 3.4Å; R441-L443 VanDerWaalsContact C-N 3.27Å; R441-L443 PolarHBondContact O-N 2.87Å; L443-W445 VanDerWaalsContact C-N 3.27Å; L443-W445 PolarHBondContact O-N 3.28Å; L443-V467 HydrophobicContact CD2-CG2 3.76Å; L443-I603 HydrophobicContact CD2-CD1 4.01Å; L443-M670 HydrophobicContact CD1-CB 4.04Å; L443-M670 HydrophobicContact CD1-CE 3.75Å; L443-M670 HydrophobicContact CD2-CB 3.86Å; L443-K673 PolarHBondContact O-N 2.69Å
444	G	92.3	Very high	89.8	Confident	41 Å²	41	32.9 Å²	32.9	42%	0.423	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	0.6	174.1	0	0	0	0	0	117	A440 R441 A442 G446	A440-G444 CarbonylContact O-C 3.56Å; A440-G444 PolarHBondContact O-N 2.89Å; R441-G444 PolarHBondContact O-N 3.32Å; A442-G444 VanDerWaalsContact C-N 3.27Å; A442-G444 PolarHBondContact O-N 2.82Å; G444-G446 PolarHBondContact O-N 3.18Å
445	W	92.4	Very high	89.9	Confident	28 Å²	28	32.8 Å²	32.8	11%	0.106	22%	0.221	C	C	.	.	S	Bend	trans	-69.9	-19.6	173.7	-60.9	102.5	0	0	0	113.4	A440 L443 E460 I461 L671 K673	A440-W445 HydrophobicContact CB-CB 4.19Å; A440-W445 CarbonylContact O-C 3.57Å; A440-W445 WeakPolarHBondContact O-CA 3.4Å; A440-W445 PolarHBondContact O-N 2.81Å; L443-W445 VanDerWaalsContact C-N 3.27Å; L443-W445 PolarHBondContact O-N 3.28Å; W445-E460 HydrophobicContact CH2-CB 4.18Å; W445-E460 HydrophobicContact CZ3-CB 3.99Å; W445-I461 HydrophobicContact CH2-CD1 3.41Å; W445-I461 VanDerWaalsContact CH2-CD1 3.41Å; W445-I461 HydrophobicContact CH2-CG1 3.79Å; W445-I461 HydrophobicContact CZ2-CD1 3.49Å; W445-I461 VanDerWaalsContact CZ2-CD1 3.49Å; W445-I461 HydrophobicContact CZ2-CG1 4.37Å; W445-I461 HydrophobicContact CZ3-CD1 4.01Å; W445-I461 HydrophobicContact CZ3-CG1 4.15Å; W445-L671 PolarHBondContact NE1-O 2.86Å; W445-K673 HydrophobicContact CD2-CB 3.96Å; W445-K673 HydrophobicContact CD2-CD 4.29Å; W445-K673 HydrophobicContact CE3-CB 4.13Å; W445-K673 HydrophobicContact CE3-CD 3.71Å; W445-K673 HydrophobicContact CE3-CG 4.32Å; W445-K673 HydrophobicContact CG-CB 4.45Å; W445-K673 HydrophobicContact CH2-CB 4.2Å; W445-K673 HydrophobicContact CH2-CG 4.45Å; W445-K673 HydrophobicContact CZ2-CB 4.06Å; W445-K673 HydrophobicContact CZ3-CB 4.25Å; W445-K673 HydrophobicContact CZ3-CD 3.89Å; W445-K673 HydrophobicContact CZ3-CG 4.23Å
446	G	90.9	Very high	90.2	Very high	27 Å²	27	34.7 Å²	34.7	28%	0.278	23%	0.227	S	C	.	.			trans	91.4	-176.8	171.9	0	0	0	0	0	114.6	P432 A440 G444 G448	P432-G446 WeakPolarHBondContact CG-O 3.34Å; A440-G446 WeakPolarHBondContact CB-O 3.17Å; A440-G446 PolarHBondContact O-N 2.91Å; G444-G446 PolarHBondContact O-N 3.18Å; G446-G448 PolarHBondContact O-N 2.81Å
447	G	87.8	Confident	90.7	Very high	36 Å²	36	33.6 Å²	33.6	37%	0.371	21%	0.214	S	C	.	.	S	Bend	trans	-79.1	-9.5	-167.2	0	0	0	0	0	116.9	N437 R441	N437-G447 PolarHBondContact ND2-O 3.49Å; R441-G447 VanDerWaalsContact CZ-CA 3.46Å
448	G	89.1	Confident	90.7	Very high	24 Å²	24	33.5 Å²	33.5	25%	0.247	21%	0.214	C	C	.	.			trans	168.9	145.6	-179.5	0	0	0	0	0	113.8	P432 G446	P432-G448 CarbonylContact O-C 3.56Å; P432-G448 WeakPolarHBondContact O-CA 3.33Å; G446-G448 PolarHBondContact O-N 2.81Å
449	Y	89.8	Confident	90.4	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.016	24%	0.241	C	C	.	.			trans	-63.6	138.8	173	179.6	-115.5	0	0	0	111.8	L363 K366 L431 P432 L433 D451 E452 I454 I457 R529	L363-Y449 HydrophobicContact CD1-CD1 4.06Å; L363-Y449 HydrophobicContact CD1-CE1 3.94Å; L363-Y449 HydrophobicContact CD2-CE1 3.68Å; L363-Y449 HydrophobicContact CG-CE1 4.26Å; K366-Y449 PolarHBondContact NZ-OH 2.85Å; L431-Y449 HydrophobicContact CD1-CD2 3.8Å; L431-Y449 HydrophobicContact CD1-CG 4.22Å; P432-Y449 PolarHBondContact O-N 3.1Å; L433-Y449 HydrophobicContact CD2-CD1 4.16Å; L433-Y449 HydrophobicContact CD2-CG 4.24Å; Y449-D451 VanDerWaalsContact CE1-CA 3.49Å; Y449-D451 HydrophobicContact CE1-CB 4.44Å; Y449-D451 VanDerWaalsContact OH-C 3.32Å; Y449-D451 WeakPolarHBondContact OH-CA 3.49Å; Y449-E452 HydrophobicContact CD2-CG 4.11Å; Y449-E452 HydrophobicContact CE2-CB 4.45Å; Y449-E452 HydrophobicContact CE2-CG 3.75Å; Y449-E452 VanDerWaalsContact CE2-O 3.3Å; Y449-E452 WeakPolarHBondContact CE2-O 3.36Å; Y449-E452 PolarHBondContact OH-O 2.86Å; Y449-I454 HydrophobicContact CE2-CD1 3.94Å; Y449-I454 WeakPolarHBondContact OH-CD1 3.2Å; Y449-I457 HydrophobicContact CD2-CD1 3.84Å; Y449-I457 HydrophobicContact CE2-CD1 3.52Å; Y449-R529 PolarHBondContact O-NH1 3.35Å; Y449-R529 VanDerWaalsContact O-NH1 3.08Å; Y449-R529 PolarHBondContact O-NH2 2.83Å
450	T	86.4	Confident	90.1	Very high	116 Å²	116	42.3 Å²	42.3	71%	0.712	25%	0.248	S	C	*	.			trans	-128.2	39.3	-173.2	48.1	0	0	0	0	112.2	E452	T450-E452 PolarHBondContact O-N 2.92Å
451	D	85.1	Confident	90	Very high	101 Å²	101	42.3 Å²	42.3	54%	0.54	25%	0.248	S	C	.	.	S	Bend	trans	60	18.2	-178.4	-102.2	-55.5	0	0	0	116.2	K366 Y449	K366-D451 IonicContact NZ-OD1 2.74Å; K366-D451 PolarHBondContact NZ-OD1 2.79Å; Y449-D451 VanDerWaalsContact CE1-CA 3.49Å; Y449-D451 HydrophobicContact CE1-CB 4.44Å; Y449-D451 VanDerWaalsContact OH-C 3.32Å; Y449-D451 WeakPolarHBondContact OH-CA 3.49Å
452	E	87.3	Confident	89.6	Confident	44 Å²	44	40.2 Å²	40.2	21%	0.206	24%	0.243	C	C	.	.			trans	-60.6	154.4	176.6	74.5	172.7	147.3	0	0	113	Y449 T450 I454 K456 I457	Y449-E452 HydrophobicContact CD2-CG 4.11Å; Y449-E452 HydrophobicContact CE2-CB 4.45Å; Y449-E452 HydrophobicContact CE2-CG 3.75Å; Y449-E452 VanDerWaalsContact CE2-O 3.3Å; Y449-E452 WeakPolarHBondContact CE2-O 3.36Å; Y449-E452 PolarHBondContact OH-O 2.86Å; T450-E452 PolarHBondContact O-N 2.92Å; E452-I454 PolarHBondContact O-N 2.86Å; E452-K456 WeakPolarHBondContact OE2-CD 3.48Å; E452-K456 IonicContact OE2-NZ 2.74Å; E452-K456 PolarHBondContact OE2-NZ 3.49Å; E452-I457 HydrophobicContact CG-CD1 3.53Å; E452-I457 HydrophobicContact CG-CG1 3.96Å
453	P	89.5	Confident	89.1	Confident	92 Å²	92	43.1 Å²	43.1	60%	0.597	25%	0.253	S	S	*	.			trans	-61.5	123.5	-173.5	-24.6	35.2	0	0	0	112.7	G455 K456 I457	P453-G455 PolarHBondContact O-N 2.92Å; P453-G455 VanDerWaalsContact O-N 3.17Å; P453-K456 HydrophobicContact CB-CB 4.43Å; P453-K456 WeakPolarHBondContact O-CA 3.25Å; P453-K456 VanDerWaalsContact O-CB 3.22Å; P453-K456 WeakPolarHBondContact O-CB 3.16Å; P453-K456 PolarHBondContact O-N 3.49Å; P453-I457 PolarHBondContact O-N 3.45Å
454	I	92.2	Very high	88.9	Confident	6 Å²	6	43.2 Å²	43.2	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-60.9	-30.7	-176.6	-62.9	-59.7	0	0	0	112.8	L363 K366 F367 L370 L431 Y449 E452 K456 I457 L458	L363-I454 HydrophobicContact CD2-CD1 3.72Å; L363-I454 HydrophobicContact CD2-CG1 4.07Å; K366-I454 HydrophobicContact CB-CG1 4Å; K366-I454 HydrophobicContact CD-CG1 3.63Å; K366-I454 HydrophobicContact CG-CG1 4.47Å; F367-I454 HydrophobicContact CD1-CG2 3.56Å; F367-I454 HydrophobicContact CD2-CG2 4.44Å; F367-I454 HydrophobicContact CE1-CG2 3.35Å; F367-I454 HydrophobicContact CE2-CD1 4.37Å; F367-I454 HydrophobicContact CE2-CG2 4.27Å; F367-I454 HydrophobicContact CG-CG2 4.12Å; F367-I454 HydrophobicContact CZ-CD1 4.21Å; F367-I454 HydrophobicContact CZ-CG2 3.74Å; L370-I454 HydrophobicContact CD1-CB 3.83Å; L370-I454 HydrophobicContact CD1-CG2 3.71Å; L431-I454 HydrophobicContact CD2-CD1 4.47Å; Y449-I454 HydrophobicContact CE2-CD1 3.94Å; Y449-I454 WeakPolarHBondContact OH-CD1 3.2Å; E452-I454 PolarHBondContact O-N 2.86Å; I454-K456 VanDerWaalsContact C-N 3.25Å; I454-K456 PolarHBondContact O-N 3.45Å; I454-I457 HydrophobicContact CD1-CD1 3.89Å; I454-I457 PolarHBondContact O-N 2.72Å; I454-L458 HydrophobicContact CG2-CD1 4.02Å; I454-L458 HydrophobicContact CG2-CG 4.13Å; I454-L458 WeakPolarHBondContact O-CB 3.39Å; I454-L458 WeakPolarHBondContact O-CG 3.38Å; I454-L458 PolarHBondContact O-N 3.24Å
455	G	87.4	Confident	88.8	Confident	10 Å²	10	46.4 Å²	46.4	10%	0.103	26%	0.257	C	S	.	.	H	α-helix	trans	-61.4	-29.8	171.5	0	0	0	0	0	114.2	Y263 P453 R459	Y263-G455 WeakPolarHBondContact OH-CA 3.45Å; P453-G455 PolarHBondContact O-N 2.92Å; P453-G455 VanDerWaalsContact O-N 3.17Å; G455-R459 WeakPolarHBondContact O-CB 3.49Å; G455-R459 PolarHBondContact O-N 2.88Å
456	K	88.6	Confident	88.7	Confident	79 Å²	79	47.6 Å²	47.6	34%	0.343	27%	0.269	S	S	.	.	H	α-helix	trans	-69.6	-49.8	173.2	-177	-164.6	166.1	-148.5	0	110.3	E452 P453 I454 L458 R459 E460	E452-K456 WeakPolarHBondContact OE2-CD 3.48Å; E452-K456 IonicContact OE2-NZ 2.74Å; E452-K456 PolarHBondContact OE2-NZ 3.49Å; P453-K456 HydrophobicContact CB-CB 4.43Å; P453-K456 WeakPolarHBondContact O-CA 3.25Å; P453-K456 VanDerWaalsContact O-CB 3.22Å; P453-K456 WeakPolarHBondContact O-CB 3.16Å; P453-K456 PolarHBondContact O-N 3.49Å; I454-K456 VanDerWaalsContact C-N 3.25Å; I454-K456 PolarHBondContact O-N 3.45Å; K456-L458 PolarHBondContact O-N 2.58Å; K456-R459 PolarHBondContact O-N 3.13Å; K456-E460 WeakPolarHBondContact CE-OE1 3.45Å; K456-E460 IonicContact NZ-OE1 2.67Å; K456-E460 WeakPolarHBondContact O-CG 3.45Å; K456-E460 PolarHBondContact O-N 2.92Å
457	I	91.3	Very high	88.8	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.015	26%	0.264	C	S	.	.	H	α-helix	trans	-58.7	-46.4	177.2	-72	156.7	0	0	0	111	L400 L431 Y449 E452 P453 I454 R459 E460 I461	L400-I457 HydrophobicContact CD2-CG2 4.42Å; L431-I457 HydrophobicContact CD1-CD1 3.69Å; L431-I457 HydrophobicContact CD1-CG1 4.46Å; L431-I457 HydrophobicContact CD1-CG2 4.37Å; Y449-I457 HydrophobicContact CD2-CD1 3.84Å; Y449-I457 HydrophobicContact CE2-CD1 3.52Å; E452-I457 HydrophobicContact CG-CD1 3.53Å; E452-I457 HydrophobicContact CG-CG1 3.96Å; P453-I457 PolarHBondContact O-N 3.45Å; I454-I457 HydrophobicContact CD1-CD1 3.89Å; I454-I457 PolarHBondContact O-N 2.72Å; I457-R459 VanDerWaalsContact C-N 3.31Å; I457-R459 PolarHBondContact O-N 3.47Å; I457-E460 CarbonylContact O-C 3.6Å; I457-E460 PolarHBondContact O-N 2.96Å; I457-E460 VanDerWaalsContact O-N 3.15Å; I457-I461 HydrophobicContact CG2-CG1 4.32Å; I457-I461 WeakPolarHBondContact O-CB 3.47Å; I457-I461 WeakPolarHBondContact O-CG1 3.38Å; I457-I461 PolarHBondContact O-N 3.25Å
458	L	91.1	Very high	89.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-40.4	178.5	-79.1	176.5	0	0	0	112.3	I266 V347 F367 L370 L371 L400 I454 K456 I461 G462	I266-L458 HydrophobicContact CD1-CB 3.61Å; I266-L458 HydrophobicContact CD1-CD1 4.26Å; I266-L458 HydrophobicContact CD1-CD2 4.19Å; I266-L458 HydrophobicContact CD1-CG 4.24Å; V347-L458 HydrophobicContact CG1-CD2 4.39Å; F367-L458 HydrophobicContact CD1-CD1 4.21Å; F367-L458 HydrophobicContact CD1-CD2 4.04Å; F367-L458 HydrophobicContact CD1-CG 4.3Å; F367-L458 HydrophobicContact CE1-CD1 4.4Å; F367-L458 HydrophobicContact CE1-CD2 3.76Å; F367-L458 HydrophobicContact CE1-CG 4.02Å; L370-L458 HydrophobicContact CB-CD1 4.01Å; L370-L458 HydrophobicContact CD1-CD1 4.11Å; L371-L458 HydrophobicContact CD1-CD1 4.48Å; L371-L458 HydrophobicContact CD1-CD2 4.15Å; L371-L458 HydrophobicContact CD2-CD1 4.11Å; L371-L458 HydrophobicContact CG-CD1 4.14Å; L400-L458 HydrophobicContact CD2-CD2 4.42Å; I454-L458 HydrophobicContact CG2-CD1 4.02Å; I454-L458 HydrophobicContact CG2-CG 4.13Å; I454-L458 WeakPolarHBondContact O-CB 3.39Å; I454-L458 WeakPolarHBondContact O-CG 3.38Å; I454-L458 PolarHBondContact O-N 3.24Å; K456-L458 PolarHBondContact O-N 2.58Å; L458-I461 PolarHBondContact O-N 2.78Å; L458-G462 PolarHBondContact O-N 3.45Å
459	R	87.2	Confident	89.6	Confident	155 Å²	155	48.4 Å²	48.4	59%	0.585	25%	0.254	S	S	*	.	H	α-helix	trans	-68	-42	172.8	-172.9	-177.4	66.2	178.5	2	112.3	G455 K456 I457 I461 G462 M463	G455-R459 WeakPolarHBondContact O-CB 3.49Å; G455-R459 PolarHBondContact O-N 2.88Å; K456-R459 PolarHBondContact O-N 3.13Å; I457-R459 VanDerWaalsContact C-N 3.31Å; I457-R459 PolarHBondContact O-N 3.47Å; R459-I461 VanDerWaalsContact C-N 3.27Å; R459-I461 PolarHBondContact O-N 3.11Å; R459-G462 PolarHBondContact O-N 3.32Å; R459-M463 HydrophobicContact CG-CG 4.5Å; R459-M463 HydrophobicContact CG-SD 4.01Å; R459-M463 WeakPolarHBondContact O-CB 3.39Å; R459-M463 WeakPolarHBondContact O-CG 3.29Å; R459-M463 PolarHBondContact O-N 2.82Å
460	E	89.2	Confident	90	Very high	36 Å²	36	48.2 Å²	48.2	17%	0.168	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-33.6	175	-72.1	176.7	159.7	0	0	112.3	W445 K456 I457 M463 S464 K673	W445-E460 HydrophobicContact CH2-CB 4.18Å; W445-E460 HydrophobicContact CZ3-CB 3.99Å; K456-E460 WeakPolarHBondContact CE-OE1 3.45Å; K456-E460 IonicContact NZ-OE1 2.67Å; K456-E460 WeakPolarHBondContact O-CG 3.45Å; K456-E460 PolarHBondContact O-N 2.92Å; I457-E460 CarbonylContact O-C 3.6Å; I457-E460 PolarHBondContact O-N 2.96Å; I457-E460 VanDerWaalsContact O-N 3.15Å; E460-M463 CarbonylContact O-C 3.6Å; E460-M463 PolarHBondContact O-N 2.63Å; E460-S464 WeakPolarHBondContact O-CA 3.38Å; E460-S464 VanDerWaalsContact O-CB 3.28Å; E460-S464 WeakPolarHBondContact O-CB 3.39Å; E460-S464 PolarHBondContact O-N 3.15Å; E460-K673 WeakPolarHBondContact OE1-CE 3.44Å; E460-K673 IonicContact OE1-NZ 3.67Å; E460-K673 PolarHBondContact OE1-NZ 3.4Å; E460-K673 WeakPolarHBondContact OE2-CE 3.38Å; E460-K673 IonicContact OE2-NZ 3.9Å; E460-K673 PolarHBondContact OE2-NZ 3.06Å
461	I	91.4	Very high	90.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-72.7	-36.9	173.6	-73.6	-74.2	0	0	0	112.1	V347 R398 L400 W445 I457 L458 R459 M463 S464 L671	V347-I461 HydrophobicContact CG1-CG2 4.11Å; V347-I461 HydrophobicContact CG2-CG2 3.95Å; R398-I461 WeakPolarHBondContact CD-O 3.35Å; R398-I461 PolarHBondContact NH1-O 2.83Å; L400-I461 HydrophobicContact CD1-CD1 3.8Å; L400-I461 HydrophobicContact CD1-CG1 4.08Å; L400-I461 HydrophobicContact CD2-CG1 4.4Å; W445-I461 HydrophobicContact CH2-CD1 3.41Å; W445-I461 VanDerWaalsContact CH2-CD1 3.41Å; W445-I461 HydrophobicContact CH2-CG1 3.79Å; W445-I461 HydrophobicContact CZ2-CD1 3.49Å; W445-I461 VanDerWaalsContact CZ2-CD1 3.49Å; W445-I461 HydrophobicContact CZ2-CG1 4.37Å; W445-I461 HydrophobicContact CZ3-CD1 4.01Å; W445-I461 HydrophobicContact CZ3-CG1 4.15Å; I457-I461 HydrophobicContact CG2-CG1 4.32Å; I457-I461 WeakPolarHBondContact O-CB 3.47Å; I457-I461 WeakPolarHBondContact O-CG1 3.38Å; I457-I461 PolarHBondContact O-N 3.25Å; L458-I461 PolarHBondContact O-N 2.78Å; R459-I461 VanDerWaalsContact C-N 3.27Å; R459-I461 PolarHBondContact O-N 3.11Å; I461-M463 VanDerWaalsContact C-N 3.31Å; I461-S464 PolarHBondContact O-OG 3.24Å; I461-L671 HydrophobicContact CD1-CD1 4.34Å; I461-L671 HydrophobicContact CG2-CD1 4.2Å
462	G	86	Confident	91.1	Very high	10 Å²	10	38.1 Å²	38.1	10%	0.103	19%	0.194	C	C	.	.	H	α-helix	trans	-65.3	-34.4	171.3	0	0	0	0	0	112.9	R398 L458 R459	R398-G462 PolarHBondContact NH1-O 2.89Å; L458-G462 PolarHBondContact O-N 3.45Å; R459-G462 PolarHBondContact O-N 3.32Å
463	M	83.4	Confident	91.6	Very high	92 Å²	92	41.6 Å²	41.6	45%	0.453	21%	0.205	S	C	.	.	S	Bend	trans	-96.1	-1.3	-178.8	-61	-178.4	78.8	0	0	114.5	R459 E460 I461 R674 V681	R459-M463 HydrophobicContact CG-CG 4.5Å; R459-M463 HydrophobicContact CG-SD 4.01Å; R459-M463 WeakPolarHBondContact O-CB 3.39Å; R459-M463 WeakPolarHBondContact O-CG 3.29Å; R459-M463 PolarHBondContact O-N 2.82Å; E460-M463 CarbonylContact O-C 3.6Å; E460-M463 PolarHBondContact O-N 2.63Å; I461-M463 VanDerWaalsContact C-N 3.31Å; M463-R674 VanDerWaalsContact O-CD 3.25Å; M463-R674 WeakPolarHBondContact O-CD 3.49Å; M463-R674 PolarHBondContact O-NE 2.85Å; M463-V681 HydrophobicContact CB-CG2 4.4Å; M463-V681 HydrophobicContact CG-CG2 4.47Å
464	S	89.3	Confident	92.1	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.021	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-68.1	156.1	-177.1	52.5	0	0	0	0	112.2	R398 E460 I461 L671 S672	R398-S464 PolarHBondContact NH1-O 2.88Å; R398-S464 PolarHBondContact NH1-OG 3.38Å; R398-S464 VanDerWaalsContact NH1-OG 3.09Å; R398-S464 PolarHBondContact NH2-O 3.37Å; E460-S464 WeakPolarHBondContact O-CA 3.38Å; E460-S464 VanDerWaalsContact O-CB 3.28Å; E460-S464 WeakPolarHBondContact O-CB 3.39Å; E460-S464 PolarHBondContact O-N 3.15Å; I461-S464 PolarHBondContact O-OG 3.24Å; S464-L671 WeakPolarHBondContact OG-CD2 3.32Å; S464-S672 VanDerWaalsContact CB-O 3.29Å; S464-S672 WeakPolarHBondContact CB-O 3.46Å
465	Q	88.7	Confident	92.3	Very high	109 Å²	109	41.5 Å²	41.5	51%	0.509	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	134.2	178.2	176.6	174.7	-7.7	0	0	109.8	V467 L671 S672	Q465-V467 HydrophobicContact CG-CG1 4.18Å; Q465-L671 WeakPolarHBondContact O-CA 3.43Å; Q465-S672 PolarHBondContact N-O 3.18Å; Q465-S672 VanDerWaalsContact N-O 3.1Å; Q465-S672 PolarHBondContact O-N 3.47Å
466	C	90.9	Very high	92.8	Very high	53 Å²	53	41.9 Å²	41.9	36%	0.358	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	128.8	167.1	-57.9	0	0	0	0	109.2	L669 M670	C466-L669 HydrophobicContact CB-CD1 4.01Å; C466-L669 HydrophobicContact CB-CD2 4.49Å; C466-L669 HydrophobicContact CB-CG 4.28Å; C466-M670 CarbonylContact C-O 3.26Å; C466-M670 WeakPolarHBondContact CA-O 3.45Å
467	V	93.4	Very high	93.2	Very high	28 Å²	28	40.5 Å²	40.5	17%	0.17	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.7	173.6	-60.3	0	0	0	0	108.5	L443 Q465 I603 M670	L443-V467 HydrophobicContact CD2-CG2 3.76Å; Q465-V467 HydrophobicContact CG-CG1 4.18Å; V467-I603 HydrophobicContact CG2-CD1 4.18Å; V467-M670 HydrophobicContact CG2-CB 4.09Å; V467-M670 PolarHBondContact N-O 2.87Å; V467-M670 PolarHBondContact O-N 3.38Å
468	L	95.6	Very high	93.4	Very high	76 Å²	76	44.4 Å²	44.4	40%	0.398	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	160.9	169.1	-66.4	174.8	0	0	0	109.8	I603 D604 K667 A668 L669	L468-I603 WeakPolarHBondContact O-CD1 3.36Å; L468-D604 HydrophobicContact CB-CB 4.01Å; L468-K667 HydrophobicContact CB-CB 4.37Å; L468-K667 HydrophobicContact CB-CD 4.25Å; L468-K667 HydrophobicContact CD1-CD 3.9Å; L468-K667 HydrophobicContact CD2-CB 4.24Å; L468-A668 CarbonylContact C-O 3.52Å; L468-A668 WeakPolarHBondContact CA-O 3.37Å; L468-L669 HydrophobicContact CD2-CD1 3.9Å
469	M	97.3	Very high	93.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	120.9	171.1	-173.6	-169.9	80.8	0	0	108.3	L412 L439 R471 N500 I603 K667 A668 M670	L412-M469 HydrophobicContact CD1-CE 4.02Å; L439-M469 HydrophobicContact CD1-SD 3.46Å; L439-M469 WeakPolarHBondContact CD1-SD 3.44Å; M469-R471 HydrophobicContact CE-CG 3.72Å; M469-N500 HydrophobicContact CE-CB 4Å; M469-I603 CarbonylContact C-O 3.57Å; M469-I603 VanDerWaalsContact CA-O 3.25Å; M469-I603 WeakPolarHBondContact CA-O 3.4Å; M469-I603 HydrophobicContact CB-CD1 4.35Å; M469-I603 HydrophobicContact CG-CB 4.38Å; M469-I603 HydrophobicContact CG-CD1 4.39Å; M469-K667 CarbonylContact O-C 3.59Å; M469-K667 VanDerWaalsContact O-CA 3.27Å; M469-K667 WeakPolarHBondContact O-CA 3.3Å; M469-A668 PolarHBondContact N-O 2.67Å; M469-A668 PolarHBondContact O-N 2.75Å; M469-M670 HydrophobicContact CB-CG 3.56Å; M469-M670 HydrophobicContact CE-CG 4.45Å; M469-M670 HydrophobicContact CE-SD 4.36Å; M469-M670 HydrophobicContact CG-CG 4.38Å; M469-M670 HydrophobicContact SD-CE 4.5Å; M469-M670 HydrophobicContact SD-CG 3.99Å; M469-M670 HydrophobicContact SD-SD 4.47Å
470	D	98.1	Very high	93.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	152.1	172.2	-77.5	-57.8	0	0	0	111.2	W472 N581 I603 D604 D605 G606 L664 K667	D470-W472 HydrophobicContact CB-CZ2 4.17Å; D470-N581 WeakPolarHBondContact CB-OD1 3.3Å; D470-N581 PolarHBondContact O-ND2 3.33Å; D470-N581 PolarHBondContact O-OD1 3.06Å; D470-I603 PolarHBondContact N-O 3.26Å; D470-D604 WeakPolarHBondContact OD2-CA 3.38Å; D470-D605 PolarHBondContact OD2-N 2.86Å; D470-G606 VanDerWaalsContact OD2-CA 3.31Å; D470-G606 WeakPolarHBondContact OD2-CA 3.34Å; D470-G606 PolarHBondContact OD2-N 3.17Å; D470-L664 HydrophobicContact CB-CD1 3.87Å; D470-L664 WeakPolarHBondContact OD1-CD1 3.16Å; D470-K667 VanDerWaalsContact OD1-CE 3.28Å; D470-K667 WeakPolarHBondContact OD1-CE 3.36Å; D470-K667 WeakPolarHBondContact OD1-CG 3.47Å; D470-K667 IonicContact OD1-NZ 2.84Å; D470-K667 PolarHBondContact OD1-NZ 3.18Å; D470-K667 IonicContact OD2-NZ 2.88Å; D470-K667 PolarHBondContact OD2-NZ 2.81Å
471	R	97.9	Very high	93.7	Very high	3 Å²	3	50.4 Å²	50.4	1%	0.011	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	137.3	178.6	-66.2	173.1	65.2	-133.1	9.7	108.1	D416 M469 V498 I499 N500 L664 L665 N666 A668	D416-R471 VanDerWaalsContact CG-NH1 3.25Å; D416-R471 IonicContact OD1-CZ 3.42Å; D416-R471 IonicContact OD1-NH1 2.82Å; D416-R471 PolarHBondContact OD1-NH1 3.11Å; D416-R471 IonicContact OD2-CZ 3.54Å; D416-R471 VanDerWaalsContact OD2-CZ 3.26Å; D416-R471 IonicContact OD2-NH1 2.69Å; D416-R471 PolarHBondContact OD2-NH1 2.86Å; D416-R471 IonicContact OD2-NH2 3.18Å; D416-R471 PolarHBondContact OD2-NH2 3.04Å; M469-R471 HydrophobicContact CE-CG 3.72Å; R471-V498 HydrophobicContact CB-CG1 4.18Å; R471-I499 WeakPolarHBondContact CA-O 3.37Å; R471-N500 PolarHBondContact NE-OD1 2.76Å; R471-L664 WeakPolarHBondContact O-CD1 3.49Å; R471-L665 WeakPolarHBondContact O-CA 3.48Å; R471-L665 VanDerWaalsContact O-CB 3.26Å; R471-L665 WeakPolarHBondContact O-CB 3.17Å; R471-L665 PolarHBondContact O-N 3.33Å; R471-N666 PolarHBondContact N-O 3.41Å; R471-N666 PolarHBondContact NH1-ND2 2.94Å; R471-N666 PolarHBondContact NH1-OD1 3.41Å; R471-N666 PolarHBondContact O-N 3.47Å; R471-A668 HydrophobicContact CG-CB 4.47Å
472	W	98.3	Very high	93.5	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.6	-166.4	-55.1	84.1	0	0	0	111.2	D470 V498 I499 N581 G606 L607 M608 R634 I662 E663 L664	D470-W472 HydrophobicContact CB-CZ2 4.17Å; W472-V498 CarbonylContact O-C 3.57Å; W472-V498 VanDerWaalsContact O-CA 3.27Å; W472-V498 WeakPolarHBondContact O-CA 3.5Å; W472-I499 HydrophobicContact CB-CB 4.14Å; W472-I499 HydrophobicContact CB-CD1 4.07Å; W472-I499 PolarHBondContact N-O 3.19Å; W472-I499 VanDerWaalsContact N-O 3.08Å; W472-I499 PolarHBondContact O-N 2.82Å; W472-N581 PolarHBondContact NE1-OD1 2.74Å; W472-G606 WeakPolarHBondContact CH2-O 3.4Å; W472-L607 VanDerWaalsContact CZ2-O 3.27Å; W472-L607 WeakPolarHBondContact CZ2-O 3.29Å; W472-M608 HydrophobicContact CB-SD 4.3Å; W472-M608 HydrophobicContact CD2-CE 4.16Å; W472-M608 HydrophobicContact CD2-CG 3.61Å; W472-M608 HydrophobicContact CD2-SD 3.55Å; W472-M608 VanDerWaalsContact CD2-SD 3.55Å; W472-M608 HydrophobicContact CE3-CE 3.69Å; W472-M608 HydrophobicContact CE3-CG 4Å; W472-M608 HydrophobicContact CE3-SD 3.73Å; W472-M608 HydrophobicContact CG-CG 4.13Å; W472-M608 HydrophobicContact CG-SD 3.78Å; W472-M608 HydrophobicContact CH2-CG 4.03Å; W472-M608 HydrophobicContact CZ2-CG 3.65Å; W472-M608 HydrophobicContact CZ3-CE 3.92Å; W472-M608 HydrophobicContact CZ3-CG 4.21Å; W472-M608 HydrophobicContact CZ3-SD 4.35Å; W472-R634 WeakPolarHBondContact CZ3-O 3.45Å; W472-I662 HydrophobicContact CB-CG2 3.91Å; W472-E663 CarbonylContact C-O 3.55Å; W472-E663 WeakPolarHBondContact CA-O 3.33Å; W472-L664 HydrophobicContact CD2-CD1 4.29Å; W472-L664 HydrophobicContact CE3-CB 4.05Å; W472-L664 HydrophobicContact CE3-CD1 4.33Å; W472-L664 HydrophobicContact CH2-CB 4.23Å; W472-L664 HydrophobicContact CH2-CD1 4.12Å; W472-L664 HydrophobicContact CZ2-CD1 4.06Å; W472-L664 HydrophobicContact CZ3-CB 3.72Å; W472-L664 HydrophobicContact CZ3-CD1 4.23Å
473	R	98	Very high	93.2	Very high	117 Å²	117	58.2 Å²	58.2	44%	0.442	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	128.6	174.4	179.5	-178.9	-63.8	-121.9	-2.3	108.8	I662 E663 L665	R473-I662 WeakPolarHBondContact O-CA 3.14Å; R473-E663 HydrophobicContact CB-CG 4.29Å; R473-E663 PolarHBondContact N-O 3.09Å; R473-E663 PolarHBondContact O-N 2.81Å; R473-L665 HydrophobicContact CB-CB 4.16Å; R473-L665 HydrophobicContact CB-CD1 4.46Å
474	V	98	Very high	92.9	Very high	5 Å²	5	56 Å²	56	3%	0.03	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.5	167.9	-177.8	0	0	0	0	108.3	V476 V494 N497 I499 V648 I660 I662	V474-V476 HydrophobicContact CG1-CG2 4.13Å; V474-V494 HydrophobicContact CB-CG2 4.49Å; V474-V494 HydrophobicContact CG1-CG2 3.91Å; V474-N497 PolarHBondContact N-O 2.84Å; V474-I499 HydrophobicContact CG2-CD1 3.52Å; V474-I499 HydrophobicContact CG2-CG1 3.63Å; V474-V648 HydrophobicContact CG2-CG2 4.47Å; V474-I660 HydrophobicContact CG1-CG2 3.88Å; V474-I662 HydrophobicContact CG2-CG1 4.43Å
475	K	97.9	Very high	92.5	Very high	92 Å²	92	58.8 Å²	58.8	40%	0.4	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	115.3	175.7	174.3	-169.2	166.7	-159.8	0	108.2	I660 E661	K475-I660 CarbonylContact O-C 3.59Å; K475-I660 WeakPolarHBondContact O-CA 3.32Å; K475-E661 HydrophobicContact CB-CB 4.38Å; K475-E661 WeakPolarHBondContact CD-OE2 3.33Å; K475-E661 WeakPolarHBondContact CE-OE2 3.27Å; K475-E661 PolarHBondContact N-O 3.03Å; K475-E661 IonicContact NZ-OE2 3.61Å; K475-E661 PolarHBondContact NZ-OE2 2.77Å; K475-E661 PolarHBondContact O-N 3.47Å
476	V	97.4	Very high	92.1	Very high	17 Å²	17	60.8 Å²	60.8	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.9	175.1	-173.3	0	0	0	0	109.1	V474 N493 V494 V655 I660	V474-V476 HydrophobicContact CG1-CG2 4.13Å; V476-N493 WeakPolarHBondContact CB-OD1 3.45Å; V476-N493 WeakPolarHBondContact CG2-OD1 3.32Å; V476-V494 HydrophobicContact CG2-CG1 4.47Å; V476-V494 HydrophobicContact CG2-CG2 4.04Å; V476-V655 HydrophobicContact CG1-CG1 4.12Å; V476-I660 HydrophobicContact CG1-CG1 4.37Å; V476-I660 HydrophobicContact CG2-CG1 4.31Å; V476-I660 HydrophobicContact CG2-CG2 4.32Å
477	T	96.9	Very high	91.6	Very high	50 Å²	50	60.8 Å²	60.8	31%	0.307	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.7	172.9	42.2	0	0	0	0	109.2	S658 V659	T477-S658 CarbonylContact O-C 3.54Å; T477-S658 WeakPolarHBondContact O-CA 3.32Å; T477-S658 VanDerWaalsContact O-CB 3.29Å; T477-S658 WeakPolarHBondContact O-CB 3.38Å; T477-V659 PolarHBondContact N-O 3.11Å; T477-V659 PolarHBondContact O-N 2.99Å; T477-V659 VanDerWaalsContact O-O 3.04Å; T477-V659 PolarHBondContact OG1-O 3.12Å; T477-V659 VanDerWaalsContact OG1-O 3.09Å
478	P	95	Very high	90.8	Very high	86 Å²	86	66.3 Å²	66.3	56%	0.558	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.8	153.6	175.9	-25.5	35.1	0	0	0	113
479	N	94.5	Very high	90.2	Very high	9 Å²	9	71.9 Å²	71.9	5%	0.048	37%	0.367	C	S	.	.			trans	-101.6	89.6	169.4	-177	12.3	0	0	0	109.6	D481 V482 I639 T640 P657	N479-D481 PolarHBondContact O-N 3.32Å; N479-D481 VanDerWaalsContact O-N 3.16Å; N479-D481 WeakPolarHBondContact OD1-CB 3.47Å; N479-D481 PolarHBondContact OD1-N 2.75Å; N479-V482 PolarHBondContact O-N 3.25Å; N479-V482 VanDerWaalsContact O-N 3.11Å; N479-I639 WeakPolarHBondContact ND2-CG2 3.48Å; N479-T640 PolarHBondContact ND2-O 3.39Å; N479-P657 HydrophobicContact CB-CB 4.21Å; N479-P657 PolarHBondContact N-O 3.39Å
480	D	90.5	Very high	89.8	Confident	153 Å²	153	73 Å²	73	82%	0.818	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-13.5	-174.7	-58.3	-42.5	0	0	0	113.6	V482	D480-V482 PolarHBondContact O-N 3.38Å
481	D	88.9	Confident	89.5	Confident	155 Å²	155	77.8 Å²	77.8	83%	0.829	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-9	172	-64.2	-32.5	0	0	0	113.1	N479	N479-D481 PolarHBondContact O-N 3.32Å; N479-D481 VanDerWaalsContact O-N 3.16Å; N479-D481 WeakPolarHBondContact OD1-CB 3.47Å; N479-D481 PolarHBondContact OD1-N 2.75Å
482	V	88.3	Confident	89.2	Confident	47 Å²	47	82.3 Å²	82.3	29%	0.285	43%	0.425	S	S	.	.	S	Bend	trans	-137.1	126.6	-172.3	-176.2	0	0	0	0	111.7	N479 D480 K641 P657	N479-V482 PolarHBondContact O-N 3.25Å; N479-V482 VanDerWaalsContact O-N 3.11Å; D480-V482 PolarHBondContact O-N 3.38Å; V482-K641 WeakPolarHBondContact CG1-O 3.46Å; V482-K641 HydrophobicContact CG2-CB 4.33Å; V482-K641 HydrophobicContact CG2-CG 4.44Å; V482-P657 HydrophobicContact CB-CB 4.3Å; V482-P657 HydrophobicContact CG1-CB 4.32Å; V482-P657 HydrophobicContact CG1-CG 4.35Å
483	T	79.8	Confident	89	Confident	126 Å²	126	85.5 Å²	85.5	77%	0.773	44%	0.442	S	S	*	.			trans	-61.5	135.7	171.8	53.4	0	0	0	0	111.5	D485	T483-D485 PolarHBondContact O-N 3.25Å
484	D	77.2	Confident	88.8	Confident	47 Å²	47	80.6 Å²	80.6	25%	0.251	43%	0.425	S	S	.	.			trans	-47.7	125.4	171.7	-175.7	9.3	0	0	0	111.1	H486 K656	D484-H486 PolarHBondContact O-N 2.78Å; D484-H486 PolarHBondContact OD1-N 3.09Å; D484-H486 IonicContact OD1-ND1 3.63Å; D484-H486 IonicContact OD2-CE1 3.95Å; D484-H486 IonicContact OD2-ND1 3.3Å; D484-H486 PolarHBondContact OD2-ND1 3.29Å; D484-H486 VanDerWaalsContact OD2-ND1 3.11Å; D484-K656 IonicContact OD1-NZ 2.63Å; D484-K656 IonicContact OD2-NZ 3.1Å; D484-K656 PolarHBondContact OD2-NZ 3.06Å
485	D	80.7	Confident	88.3	Confident	60 Å²	60	83 Å²	83	32%	0.321	44%	0.441	S	S	.	.			trans	-82.1	6.9	178.4	60.1	-0.6	0	0	0	112.8	T483 V487 R642 T643	T483-D485 PolarHBondContact O-N 3.25Å; D485-V487 PolarHBondContact O-N 3.13Å; D485-R642 WeakPolarHBondContact OD2-CA 3.2Å; D485-R642 WeakPolarHBondContact OD2-CB 3.26Å; D485-T643 WeakPolarHBondContact OD1-CB 3.35Å; D485-T643 PolarHBondContact OD1-N 3.04Å; D485-T643 PolarHBondContact OD1-OG1 2.74Å; D485-T643 PolarHBondContact OD2-N 2.61Å
486	H	79.5	Confident	88	Confident	152 Å²	152	81.8 Å²	81.8	70%	0.704	44%	0.438	S	S	*	.			trans	54.9	27.1	169.6	-63.7	-44.8	0	0	0	114.3	D484 D488	D484-H486 PolarHBondContact O-N 2.78Å; D484-H486 PolarHBondContact OD1-N 3.09Å; D484-H486 IonicContact OD1-ND1 3.63Å; D484-H486 IonicContact OD2-CE1 3.95Å; D484-H486 IonicContact OD2-ND1 3.3Å; D484-H486 PolarHBondContact OD2-ND1 3.29Å; D484-H486 VanDerWaalsContact OD2-ND1 3.11Å; H486-D488 PolarHBondContact O-N 2.96Å
487	V	81.3	Confident	87.9	Confident	52 Å²	52	85.7 Å²	85.7	32%	0.315	46%	0.459	S	S	.	.			trans	-64.5	126.9	177.3	174.1	0	0	0	0	110.3	D485 S490 T643	D485-V487 PolarHBondContact O-N 3.13Å; V487-S490 WeakPolarHBondContact O-CB 3.15Å; V487-S490 PolarHBondContact O-N 2.74Å; V487-S490 PolarHBondContact O-OG 2.82Å; V487-T643 HydrophobicContact CB-CG2 3.9Å; V487-T643 HydrophobicContact CG1-CG2 3.95Å; V487-T643 HydrophobicContact CG2-CG2 4.36Å
488	D	75.9	Confident	87.9	Confident	144 Å²	144	84.3 Å²	84.3	77%	0.77	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	142.9	179.1	-94.9	-43.9	0	0	0	113.1	H486 S490	H486-D488 PolarHBondContact O-N 2.96Å; D488-S490 PolarHBondContact O-N 3.36Å; D488-S490 VanDerWaalsContact O-N 3.1Å
489	R	83.1	Confident	88	Confident	193 Å²	193	80.2 Å²	80.2	73%	0.728	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	12.5	-178	-51.5	179.6	-179.6	-179	-0.2	115.3	E517	R489-E517 IonicContact CZ-OE1 3.04Å; R489-E517 IonicContact NH1-OE1 2.78Å; R489-E517 PolarHBondContact NH1-OE1 2.79Å
490	S	88	Confident	88.1	Confident	25 Å²	25	80.2 Å²	80.2	18%	0.175	42%	0.424	C	S	.	.			trans	-62.6	142.2	171.5	58	0	0	0	0	112	V487 D488 R654 K656	V487-S490 WeakPolarHBondContact O-CB 3.15Å; V487-S490 PolarHBondContact O-N 2.74Å; V487-S490 PolarHBondContact O-OG 2.82Å; D488-S490 PolarHBondContact O-N 3.36Å; D488-S490 VanDerWaalsContact O-N 3.1Å; S490-R654 WeakPolarHBondContact CA-O 3.5Å; S490-K656 WeakPolarHBondContact OG-CE 3.41Å
491	K	92.4	Very high	88.4	Confident	100 Å²	100	73 Å²	73	44%	0.435	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-114.6	152.1	179.7	-61.7	-175.5	-174	173.8	0	110.4	N493 C653 R654 V655 K656	K491-N493 VanDerWaalsContact C-N 3.25Å; K491-N493 WeakPolarHBondContact CB-O 3.45Å; K491-N493 PolarHBondContact O-N 2.9Å; K491-C653 HydrophobicContact CD-CB 3.87Å; K491-R654 PolarHBondContact N-O 3.08Å; K491-V655 WeakPolarHBondContact O-CA 3.23Å; K491-K656 PolarHBondContact O-N 2.71Å
492	P	91.3	Very high	88.7	Confident	98 Å²	98	66.5 Å²	66.5	64%	0.636	35%	0.349	S	S	*	.	S	Bend	trans	-79	-4.2	175.4	33.5	-36.7	0	0	0	113.7
493	N	93.9	Very high	89.2	Confident	68 Å²	68	64.2 Å²	64.2	36%	0.364	34%	0.336	S	S	.	.	S	Bend	trans	-157.4	160.9	-176.7	-157	-18.6	0	0	0	110.5	V476 K491	V476-N493 WeakPolarHBondContact CB-OD1 3.45Å; V476-N493 WeakPolarHBondContact CG2-OD1 3.32Å; K491-N493 VanDerWaalsContact C-N 3.25Å; K491-N493 WeakPolarHBondContact CB-O 3.45Å; K491-N493 PolarHBondContact O-N 2.9Å
494	V	93.9	Very high	89.9	Confident	13 Å²	13	58.2 Å²	58.2	8%	0.079	30%	0.299	C	S	.	.			trans	-70.4	161.9	173	-72.9	0	0	0	0	112.3	V474 V476 L496 F503 M646 V648 V655	V474-V494 HydrophobicContact CB-CG2 4.49Å; V474-V494 HydrophobicContact CG1-CG2 3.91Å; V476-V494 HydrophobicContact CG2-CG1 4.47Å; V476-V494 HydrophobicContact CG2-CG2 4.04Å; V494-L496 WeakPolarHBondContact CG2-O 3.45Å; V494-F503 HydrophobicContact CG1-CE2 4.34Å; V494-M646 HydrophobicContact CG1-CB 4.18Å; V494-V648 HydrophobicContact CB-CG2 4.36Å; V494-V648 HydrophobicContact CG2-CG2 4.39Å; V494-V655 HydrophobicContact CG1-CG2 3.91Å
495	P	88.6	Confident	90.8	Very high	56 Å²	56	56 Å²	56	36%	0.364	29%	0.287	S	S	.	.	S	Bend	trans	-72.4	-28.3	-176.4	-17.3	33.4	0	0	0	113.7	E651 C653	P495-E651 HydrophobicContact CB-CB 4.39Å; P495-C653 HydrophobicContact CG-CB 4.17Å
496	L	92	Very high	91.4	Very high	66 Å²	66	53.1 Å²	53.1	35%	0.346	27%	0.272	S	S	.	.			trans	-128.6	135.7	178.5	-60.3	174.7	0	0	0	108.6	V494 V648 E651	V494-L496 WeakPolarHBondContact CG2-O 3.45Å; L496-V648 HydrophobicContact CB-CB 4.08Å; L496-V648 HydrophobicContact CB-CG1 3.82Å; L496-V648 HydrophobicContact CD1-CG1 4.37Å; L496-E651 HydrophobicContact CD1-CB 4.2Å; L496-E651 HydrophobicContact CD1-CG 4.25Å
497	N	94.4	Very high	91.9	Very high	99 Å²	99	46 Å²	46	53%	0.529	24%	0.239	S	C	.	.	S	Bend	trans	-99	11	179.7	68.2	-33.9	0	0	0	113.6	V474	V474-N497 PolarHBondContact N-O 2.84Å
498	V	96.9	Very high	92.4	Very high	21 Å²	21	43.6 Å²	43.6	13%	0.127	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	125.9	178.5	-173.8	0	0	0	0	109.9	R471 W472 V648 L665	R471-V498 HydrophobicContact CB-CG1 4.18Å; W472-V498 CarbonylContact O-C 3.57Å; W472-V498 VanDerWaalsContact O-CA 3.27Å; W472-V498 WeakPolarHBondContact O-CA 3.5Å; V498-V648 WeakPolarHBondContact O-CG1 3.26Å; V498-L665 HydrophobicContact CB-CD2 4.36Å; V498-L665 HydrophobicContact CG1-CD2 3.7Å; V498-L665 HydrophobicContact CG2-CD2 3.67Å
499	I	97.4	Very high	93.2	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	130.5	172.7	-55.9	158.6	0	0	0	108.8	R471 W472 V474 Y502 F503 N581 V648 I662	R471-I499 WeakPolarHBondContact CA-O 3.37Å; W472-I499 HydrophobicContact CB-CB 4.14Å; W472-I499 HydrophobicContact CB-CD1 4.07Å; W472-I499 PolarHBondContact N-O 3.19Å; W472-I499 VanDerWaalsContact N-O 3.08Å; W472-I499 PolarHBondContact O-N 2.82Å; V474-I499 HydrophobicContact CG2-CD1 3.52Å; V474-I499 HydrophobicContact CG2-CG1 3.63Å; I499-Y502 VanDerWaalsContact CG2-C 3.47Å; I499-Y502 VanDerWaalsContact CG2-CA 3.49Å; I499-Y502 VanDerWaalsContact CG2-N 3.35Å; I499-F503 HydrophobicContact CD1-CB 3.38Å; I499-F503 HydrophobicContact CD1-CG 4.33Å; I499-F503 HydrophobicContact CG1-CB 3.79Å; I499-N581 HydrophobicContact CG2-CB 4.43Å; I499-V648 HydrophobicContact CG1-CG1 4.04Å; I499-I662 HydrophobicContact CD1-CD1 4.39Å; I499-I662 HydrophobicContact CD1-CG2 3.81Å
500	N	96.6	Very high	93.5	Very high	8 Å²	8	28.1 Å²	28.1	4%	0.043	16%	0.155	C	C	.	.	S	Bend	trans	-114.7	-27.6	171.1	-46.8	-93.6	0	0	0	110.8	M469 R471 N581 D649	M469-N500 HydrophobicContact CE-CB 4Å; R471-N500 PolarHBondContact NE-OD1 2.76Å; N500-N581 PolarHBondContact O-ND2 3.03Å; N500-D649 WeakPolarHBondContact CA-OD2 3.33Å; N500-D649 VanDerWaalsContact CB-OD2 3.3Å; N500-D649 WeakPolarHBondContact CB-OD2 3.41Å; N500-D649 PolarHBondContact N-OD1 2.83Å; N500-D649 PolarHBondContact N-OD2 3.48Å; N500-D649 PolarHBondContact ND2-OD2 3.49Å
501	N	95.4	Very high	93.5	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.016	15%	0.149	C	C	.	.	S	Bend	trans	-116.5	-62.8	179.4	-63.7	9.8	0	0	0	111.4	D405 L439 N581 I582 D649	D405-N501 PolarHBondContact OD1-ND2 3.19Å; L439-N501 WeakPolarHBondContact CB-OD1 3.48Å; N501-N581 PolarHBondContact O-N 3.15Å; N501-I582 HydrophobicContact CB-CD1 3.72Å; N501-I582 HydrophobicContact CB-CG1 4.12Å; N501-I582 PolarHBondContact O-N 3.04Å; N501-D649 WeakPolarHBondContact CA-OD1 3.4Å; N501-D649 WeakPolarHBondContact CB-OD1 3.48Å; N501-D649 PolarHBondContact N-OD1 3.36Å
502	Y	96.3	Very high	93.3	Very high	17 Å²	17	22.8 Å²	22.8	7%	0.067	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	155.9	-179.9	59	-92.2	0	0	0	113.3	I499 F579 L580 Y585 D649	I499-Y502 VanDerWaalsContact CG2-C 3.47Å; I499-Y502 VanDerWaalsContact CG2-CA 3.49Å; I499-Y502 VanDerWaalsContact CG2-N 3.35Å; Y502-F579 CarbonylContact C-O 3.46Å; Y502-F579 WeakPolarHBondContact CA-O 3.49Å; Y502-F579 VanDerWaalsContact CB-O 3.3Å; Y502-F579 WeakPolarHBondContact CB-O 3.46Å; Y502-L580 HydrophobicContact CG-CD2 4.47Å; Y502-Y585 HydrophobicContact CD1-CD2 4.11Å; Y502-Y585 HydrophobicContact CD2-CD2 4.09Å; Y502-Y585 HydrophobicContact CD2-CE2 4.48Å; Y502-Y585 AromaticContact CE1-CD2 3.83Å; Y502-Y585 HydrophobicContact CE1-CD2 3.83Å; Y502-Y585 AromaticContact CE2-CD2 3.8Å; Y502-Y585 HydrophobicContact CE2-CD2 3.8Å; Y502-Y585 AromaticContact CE2-CE2 3.95Å; Y502-Y585 HydrophobicContact CE2-CE2 3.95Å; Y502-Y585 HydrophobicContact CG-CD2 4.25Å; Y502-Y585 AromaticContact CZ-CD2 3.67Å; Y502-D649 PolarHBondContact N-OD1 3.34Å; Y502-D649 PolarHBondContact O-N 3.11Å
503	F	97.6	Very high	93.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	148.6	164.1	162.4	-99	0	0	0	109.6	V494 I499 F505 L578 F579 I638 M646 Q647 V648 I660 I662	V494-F503 HydrophobicContact CG1-CE2 4.34Å; I499-F503 HydrophobicContact CD1-CB 3.38Å; I499-F503 HydrophobicContact CD1-CG 4.33Å; I499-F503 HydrophobicContact CG1-CB 3.79Å; F503-F505 AromaticContact CE1-CD1 3.8Å; F503-F505 HydrophobicContact CE1-CD1 3.8Å; F503-F505 HydrophobicContact CE1-CE1 4.43Å; F503-F505 HydrophobicContact CZ-CD1 4.09Å; F503-L578 CarbonylContact O-C 3.59Å; F503-L578 WeakPolarHBondContact O-CA 3.5Å; F503-F579 HydrophobicContact CB-CB 4.5Å; F503-F579 HydrophobicContact CD1-CB 4.38Å; F503-F579 AromaticContact CD1-CD2 3.63Å; F503-F579 HydrophobicContact CD1-CD2 3.63Å; F503-F579 HydrophobicContact CD1-CE2 4.29Å; F503-F579 HydrophobicContact CD1-CG 4.2Å; F503-F579 HydrophobicContact CE1-CD2 4.09Å; F503-F579 HydrophobicContact CE1-CE2 4.3Å; F503-F579 PolarHBondContact N-O 2.8Å; F503-F579 PolarHBondContact O-N 2.97Å; F503-I638 HydrophobicContact CE1-CD1 3.63Å; F503-I638 HydrophobicContact CZ-CD1 4.33Å; F503-M646 HydrophobicContact CE2-CB 4.06Å; F503-M646 HydrophobicContact CE2-SD 4.44Å; F503-M646 HydrophobicContact CZ-SD 4.28Å; F503-Q647 WeakPolarHBondContact CA-O 3.5Å; F503-Q647 WeakPolarHBondContact CD2-O 3.48Å; F503-V648 HydrophobicContact CB-CG2 4.45Å; F503-V648 HydrophobicContact CD2-CG2 3.71Å; F503-I660 HydrophobicContact CZ-CD1 4.31Å; F503-I662 HydrophobicContact CD1-CD1 3.5Å; F503-I662 HydrophobicContact CE1-CD1 3.83Å; F503-I662 HydrophobicContact CG-CD1 4.19Å
504	S	96.4	Very high	92.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	161.7	173.3	72.1	0	0	0	0	113.1	D508 V577 M646 Q647	S504-D508 WeakPolarHBondContact CB-OD2 3.07Å; S504-D508 PolarHBondContact OG-OD2 3.49Å; S504-V577 WeakPolarHBondContact CA-O 3.46Å; S504-V577 VanDerWaalsContact CB-O 3.28Å; S504-V577 WeakPolarHBondContact CB-O 3.3Å; S504-M646 CarbonylContact O-C 3.59Å; S504-M646 VanDerWaalsContact O-CA 3.32Å; S504-M646 WeakPolarHBondContact O-CA 3.32Å; S504-Q647 PolarHBondContact N-O 2.94Å; S504-Q647 PolarHBondContact O-N 2.98Å; S504-Q647 WeakPolarHBondContact OG-CG 3.37Å; S504-Q647 PolarHBondContact OG-NE2 2.95Å
505	F	95.7	Very high	92.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	159.3	173.1	63.6	-101.4	0	0	0	112.3	F503 L552 V556 A576 V577 F579 I638 I644 P645 M646	F503-F505 AromaticContact CE1-CD1 3.8Å; F503-F505 HydrophobicContact CE1-CD1 3.8Å; F503-F505 HydrophobicContact CE1-CE1 4.43Å; F503-F505 HydrophobicContact CZ-CD1 4.09Å; F505-L552 HydrophobicContact CD2-CD1 4.07Å; F505-L552 HydrophobicContact CD2-CD2 3.92Å; F505-L552 HydrophobicContact CD2-CG 4.38Å; F505-L552 HydrophobicContact CE2-CD1 4.23Å; F505-L552 HydrophobicContact CE2-CD2 3.85Å; F505-L552 HydrophobicContact CE2-CG 4.17Å; F505-V556 HydrophobicContact CD2-CG2 4.48Å; F505-V556 HydrophobicContact CE2-CB 4.32Å; F505-V556 HydrophobicContact CE2-CG1 3.88Å; F505-V556 HydrophobicContact CE2-CG2 3.97Å; F505-V556 HydrophobicContact CZ-CG1 3.75Å; F505-A576 VanDerWaalsContact O-CA 3.23Å; F505-A576 WeakPolarHBondContact O-CA 3.45Å; F505-A576 WeakPolarHBondContact O-CB 3.17Å; F505-V577 HydrophobicContact CD1-CB 4.47Å; F505-V577 HydrophobicContact CD2-CB 4.49Å; F505-V577 HydrophobicContact CE1-CB 3.9Å; F505-V577 HydrophobicContact CE1-CG1 4.38Å; F505-V577 HydrophobicContact CE1-CG2 4.48Å; F505-V577 HydrophobicContact CE2-CB 3.9Å; F505-V577 HydrophobicContact CE2-CG2 3.72Å; F505-V577 HydrophobicContact CZ-CB 3.58Å; F505-V577 HydrophobicContact CZ-CG1 4.24Å; F505-V577 HydrophobicContact CZ-CG2 3.67Å; F505-V577 PolarHBondContact N-O 2.85Å; F505-V577 PolarHBondContact O-N 3.4Å; F505-F579 HydrophobicContact CD1-CE2 4.44Å; F505-F579 AromaticContact CE1-CE2 3.84Å; F505-F579 HydrophobicContact CE1-CE2 3.84Å; F505-I638 HydrophobicContact CD1-CD1 4.32Å; F505-I638 HydrophobicContact CE1-CD1 3.83Å; F505-I638 HydrophobicContact CE1-CG1 4.2Å; F505-I638 HydrophobicContact CE1-CG2 3.87Å; F505-I638 HydrophobicContact CZ-CG2 4.09Å; F505-I644 HydrophobicContact CB-CG2 3.99Å; F505-I644 HydrophobicContact CD2-CG2 4.43Å; F505-P645 WeakPolarHBondContact CA-O 3.44Å; F505-M646 HydrophobicContact CB-CB 4.48Å; F505-M646 HydrophobicContact CB-CG 3.89Å
506	G	93.4	Very high	92.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.7	-146.9	-175.1	0	0	0	0	0	112.6	D508 A509 H510 P645	G506-D508 VanDerWaalsContact C-N 3.35Å; G506-D508 PolarHBondContact O-N 3.41Å; G506-A509 PolarHBondContact O-N 2.87Å; G506-A509 VanDerWaalsContact O-N 3.16Å; G506-H510 PolarHBondContact O-N 2.73Å; G506-P645 PolarHBondContact N-O 2.94Å; G506-P645 VanDerWaalsContact N-O 3.11Å
507	V	90	Very high	91.7	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.018	9%	0.088	C	C	.	.	H	α-helix	trans	-62.1	-34.3	-168.1	68.7	0	0	0	0	114.3	H510 I511 D543 Y549 H575 A576 T615 L618	V507-H510 WeakPolarHBondContact O-CB 3.45Å; V507-H510 PolarHBondContact O-N 3.18Å; V507-I511 HydrophobicContact CG2-CD1 4.32Å; V507-I511 WeakPolarHBondContact O-CG1 3.39Å; V507-I511 PolarHBondContact O-N 2.85Å; V507-D543 HydrophobicContact CG2-CB 3.81Å; V507-D543 WeakPolarHBondContact CG2-OD2 3.39Å; V507-Y549 HydrophobicContact CB-CD2 4.04Å; V507-Y549 HydrophobicContact CG2-CD2 4.42Å; V507-H575 HydrophobicContact CG1-CB 3.9Å; V507-H575 PolarHBondContact N-O 3.06Å; V507-A576 HydrophobicContact CG1-CB 3.92Å; V507-T615 HydrophobicContact CG2-CG2 4.28Å; V507-L618 HydrophobicContact CG1-CD1 3.75Å
508	D	90.6	Very high	91.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61	-48.7	174.1	170	65.9	0	0	0	112	S504 G506 H510 I511 A512 Y536 A576 Y585 L618 Q647	S504-D508 WeakPolarHBondContact CB-OD2 3.07Å; S504-D508 PolarHBondContact OG-OD2 3.49Å; G506-D508 VanDerWaalsContact C-N 3.35Å; G506-D508 PolarHBondContact O-N 3.41Å; D508-H510 PolarHBondContact O-N 2.75Å; D508-I511 PolarHBondContact O-N 2.83Å; D508-A512 PolarHBondContact O-N 2.83Å; D508-Y536 PolarHBondContact OD1-OH 2.97Å; D508-A576 HydrophobicContact CB-CB 3.98Å; D508-Y585 PolarHBondContact OD1-OH 2.55Å; D508-L618 HydrophobicContact CB-CD2 4.5Å; D508-Q647 PolarHBondContact OD2-NE2 2.88Å
509	A	92.3	Very high	90.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-66.2	-24.9	175.4	0	0	0	0	0	112.9	G506 L513 P645 Q647	G506-A509 PolarHBondContact O-N 2.87Å; G506-A509 VanDerWaalsContact O-N 3.16Å; A509-L513 WeakPolarHBondContact O-CB 3.47Å; A509-L513 PolarHBondContact O-N 3.34Å; A509-P645 HydrophobicContact CB-CB 4.25Å; A509-P645 WeakPolarHBondContact CB-O 3.5Å; A509-Q647 HydrophobicContact CB-CB 4.28Å; A509-Q647 HydrophobicContact CB-CG 4.02Å
510	H	90.5	Very high	89.4	Confident	13 Å²	13	22.6 Å²	22.6	6%	0.06	11%	0.105	C	C	.	.	H	α-helix	trans	-68.1	-47.1	171.3	-168.5	10.4	0	0	0	111.8	G506 V507 D508 A512 L513 E514 D543 Y549 P645	G506-H510 PolarHBondContact O-N 2.73Å; V507-H510 WeakPolarHBondContact O-CB 3.45Å; V507-H510 PolarHBondContact O-N 3.18Å; D508-H510 PolarHBondContact O-N 2.75Å; H510-A512 VanDerWaalsContact C-N 3.3Å; H510-A512 PolarHBondContact O-N 2.87Å; H510-L513 WeakPolarHBondContact O-CB 3.27Å; H510-L513 PolarHBondContact O-N 3.36Å; H510-L513 VanDerWaalsContact O-N 3.1Å; H510-E514 PolarHBondContact O-N 3.37Å; H510-D543 IonicContact CD2-OD1 3.93Å; H510-D543 IonicContact CD2-OD2 3.76Å; H510-Y549 HydrophobicContact CB-CE2 3.99Å; H510-Y549 AromaticContact CD2-CE2 3.59Å; H510-P645 HydrophobicContact CB-CB 4.37Å; H510-P645 HydrophobicContact CB-CG 4.04Å
511	I	87.9	Confident	88.7	Confident	6 Å²	6	25.2 Å²	25.2	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-60.9	-41.6	177.1	-63.1	159.4	0	0	0	110.3	V507 D508 L513 E514 F515 Y536 M539 D543 L618	V507-I511 HydrophobicContact CG2-CD1 4.32Å; V507-I511 WeakPolarHBondContact O-CG1 3.39Å; V507-I511 PolarHBondContact O-N 2.85Å; D508-I511 PolarHBondContact O-N 2.83Å; I511-L513 VanDerWaalsContact C-N 3.34Å; I511-L513 PolarHBondContact O-N 3.48Å; I511-E514 PolarHBondContact O-N 3.25Å; I511-F515 WeakPolarHBondContact O-CB 3.39Å; I511-F515 PolarHBondContact O-N 3.24Å; I511-Y536 HydrophobicContact CG2-CD1 4.35Å; I511-Y536 HydrophobicContact CG2-CD2 4.25Å; I511-Y536 HydrophobicContact CG2-CE1 4.01Å; I511-Y536 HydrophobicContact CG2-CE2 3.91Å; I511-Y536 HydrophobicContact CG2-CG 4.46Å; I511-M539 HydrophobicContact CG2-CB 4.26Å; I511-D543 HydrophobicContact CG1-CB 4.44Å; I511-D543 WeakPolarHBondContact CG1-OD2 3.43Å; I511-L618 HydrophobicContact CD1-CD1 4.22Å
512	A	88.6	Confident	87.9	Confident	6 Å²	6	28.7 Å²	28.7	5%	0.05	14%	0.144	C	C	.	.	H	α-helix	trans	-62	-39.1	173.8	0	0	0	0	0	112.6	D508 H510 H516 Q647 A652	D508-A512 PolarHBondContact O-N 2.83Å; H510-A512 VanDerWaalsContact C-N 3.3Å; H510-A512 PolarHBondContact O-N 2.87Å; A512-H516 PolarHBondContact O-N 2.79Å; A512-Q647 HydrophobicContact CB-CB 4.46Å; A512-Q647 HydrophobicContact CB-CG 4.41Å; A512-A652 HydrophobicContact CB-CB 3.93Å
513	L	89.1	Confident	86.9	Confident	13 Å²	13	31.9 Å²	31.9	7%	0.068	17%	0.167	C	C	.	.	H	α-helix	trans	-68.3	-45.5	175.9	179.5	60.1	0	0	0	112.7	A509 H510 I511 F515 H516 E517 A652 R654	A509-L513 WeakPolarHBondContact O-CB 3.47Å; A509-L513 PolarHBondContact O-N 3.34Å; H510-L513 WeakPolarHBondContact O-CB 3.27Å; H510-L513 PolarHBondContact O-N 3.36Å; H510-L513 VanDerWaalsContact O-N 3.1Å; I511-L513 VanDerWaalsContact C-N 3.34Å; I511-L513 PolarHBondContact O-N 3.48Å; L513-F515 VanDerWaalsContact C-N 3.28Å; L513-F515 PolarHBondContact O-N 2.94Å; L513-H516 WeakPolarHBondContact O-CB 3.49Å; L513-H516 PolarHBondContact O-N 3.22Å; L513-E517 HydrophobicContact CD1-CG 4.17Å; L513-E517 PolarHBondContact O-N 2.8Å; L513-A652 HydrophobicContact CB-CB 4.03Å; L513-R654 HydrophobicContact CD2-CG 3.66Å
514	E	86.8	Confident	85.7	Confident	56 Å²	56	37 Å²	37	26%	0.262	19%	0.19	S	C	.	.	H	α-helix	trans	-60.1	-41.8	174.8	-69.8	-148.7	141	0	0	111.3	H510 I511 H516 A518	H510-E514 PolarHBondContact O-N 3.37Å; I511-E514 PolarHBondContact O-N 3.25Å; E514-H516 VanDerWaalsContact C-N 3.29Å; E514-H516 PolarHBondContact O-N 2.89Å; E514-A518 VanDerWaalsContact O-CB 3.24Å; E514-A518 WeakPolarHBondContact O-CB 3.41Å; E514-A518 PolarHBondContact O-N 3.05Å
515	F	83.8	Confident	84.6	Confident	29 Å²	29	42.1 Å²	42.1	13%	0.127	21%	0.21	C	C	.	.	H	α-helix	trans	-60.6	-38.5	174	-176.4	-87.1	0	0	0	111.7	I511 L513 R519 F526 N532 Y535 Y536	I511-F515 WeakPolarHBondContact O-CB 3.39Å; I511-F515 PolarHBondContact O-N 3.24Å; L513-F515 VanDerWaalsContact C-N 3.28Å; L513-F515 PolarHBondContact O-N 2.94Å; F515-R519 WeakPolarHBondContact O-CB 3.46Å; F515-R519 PolarHBondContact O-N 3.14Å; F515-F526 HydrophobicContact CD2-CE1 4.13Å; F515-F526 AromaticContact CE2-CD1 3.97Å; F515-F526 HydrophobicContact CE2-CD1 3.97Å; F515-F526 AromaticContact CE2-CE1 3.64Å; F515-F526 HydrophobicContact CE2-CE1 3.64Å; F515-F526 AromaticContact CZ-CD1 3.81Å; F515-F526 HydrophobicContact CZ-CD1 3.81Å; F515-F526 AromaticContact CZ-CE1 3.91Å; F515-F526 HydrophobicContact CZ-CE1 3.91Å; F515-N532 HydrophobicContact CE2-CB 4.46Å; F515-N532 WeakPolarHBondContact CE2-O 3.46Å; F515-N532 HydrophobicContact CZ-CB 4.2Å; F515-Y535 AromaticContact CD2-CD1 3.93Å; F515-Y535 HydrophobicContact CD2-CD1 3.93Å; F515-Y535 HydrophobicContact CE2-CD1 4.34Å; F515-Y536 HydrophobicContact CB-CD2 4.09Å; F515-Y536 AromaticContact CD2-CD2 3.8Å; F515-Y536 HydrophobicContact CD2-CD2 3.8Å; F515-Y536 HydrophobicContact CD2-CG 4.42Å; F515-Y536 HydrophobicContact CE2-CD2 4.46Å; F515-Y536 AromaticContact CG-CD2 3.94Å; F515-Y536 HydrophobicContact CG-CD2 3.94Å
516	H	81.4	Confident	83.3	Confident	27 Å²	27	43.3 Å²	43.3	13%	0.125	22%	0.215	C	C	.	.	H	α-helix	trans	-67.7	-52.9	177.1	-162	-77.5	0	0	0	112.5	A512 L513 E514 A518 R519 E520 E651	A512-H516 PolarHBondContact O-N 2.79Å; L513-H516 WeakPolarHBondContact O-CB 3.49Å; L513-H516 PolarHBondContact O-N 3.22Å; E514-H516 VanDerWaalsContact C-N 3.29Å; E514-H516 PolarHBondContact O-N 2.89Å; H516-A518 VanDerWaalsContact C-N 3.27Å; H516-A518 PolarHBondContact O-N 3.35Å; H516-R519 PolarHBondContact CD2-NH2 3.27Å; H516-R519 PolarHBondContact NE2-NH2 2.9Å; H516-R519 WeakPolarHBondContact O-CA 3.31Å; H516-R519 WeakPolarHBondContact O-CB 3.45Å; H516-R519 PolarHBondContact O-N 3.45Å; H516-E520 IonicContact CE1-OE1 3.87Å; H516-E520 PolarHBondContact CE1-OE1 2.83Å; H516-E520 IonicContact CE1-OE2 3.77Å; H516-E520 PolarHBondContact CE1-OE2 2.86Å; H516-E520 VanDerWaalsContact ND1-CD 3.25Å; H516-E520 IonicContact ND1-OE1 2.72Å; H516-E520 IonicContact ND1-OE2 2.8Å; H516-E520 PolarHBondContact ND1-OE2 3.1Å; H516-E520 PolarHBondContact O-N 3.47Å; H516-E651 IonicContact CD2-OE2 3.3Å; H516-E651 PolarHBondContact CD2-OE2 3.16Å; H516-E651 IonicContact NE2-OE2 2.7Å; H516-E651 PolarHBondContact NE2-OE2 3.21Å; H516-E651 VanDerWaalsContact NE2-OE2 3.16Å
517	E	85.3	Confident	82.1	Confident	68 Å²	68	48 Å²	48	32%	0.318	24%	0.24	S	C	.	.	H	α-helix	trans	-61.5	-37.2	-179.3	-68.1	-170	123.9	0	0	111.1	R489 L513 E520 A521	R489-E517 IonicContact CZ-OE1 3.04Å; R489-E517 IonicContact NH1-OE1 2.78Å; R489-E517 PolarHBondContact NH1-OE1 2.79Å; L513-E517 HydrophobicContact CD1-CG 4.17Å; L513-E517 PolarHBondContact O-N 2.8Å; E517-E520 PolarHBondContact O-N 2.8Å; E517-A521 VanDerWaalsContact O-CB 3.29Å; E517-A521 WeakPolarHBondContact O-CB 3.32Å; E517-A521 PolarHBondContact O-N 3.35Å
518	A	82.9	Confident	81.4	Confident	13 Å²	13	50.1 Å²	50.1	11%	0.107	26%	0.255	C	S	.	.	H	α-helix	trans	-66.9	-38.3	172.6	0	0	0	0	0	113.2	E514 H516 E520 A521 H522 F526 Y535	E514-A518 VanDerWaalsContact O-CB 3.24Å; E514-A518 WeakPolarHBondContact O-CB 3.41Å; E514-A518 PolarHBondContact O-N 3.05Å; H516-A518 VanDerWaalsContact C-N 3.27Å; H516-A518 PolarHBondContact O-N 3.35Å; A518-E520 VanDerWaalsContact C-N 3.34Å; A518-A521 PolarHBondContact O-N 3.36Å; A518-H522 PolarHBondContact O-N 3.41Å; A518-F526 HydrophobicContact CB-CE2 4.36Å; A518-F526 HydrophobicContact CB-CZ 3.92Å; A518-F526 VanDerWaalsContact O-CE2 3.29Å; A518-F526 WeakPolarHBondContact O-CE2 3.38Å; A518-Y535 HydrophobicContact CB-CE1 3.63Å; A518-Y535 VanDerWaalsContact CB-OH 3.29Å; A518-Y535 WeakPolarHBondContact CB-OH 3.48Å
519	R	78.9	Confident	80.6	Confident	86 Å²	86	53.2 Å²	53.2	33%	0.325	27%	0.267	S	S	.	.	H	α-helix	trans	-65.4	-34.8	176.4	179.2	179.4	81	172.7	9	112.2	F515 H516 P523 F526 E651	F515-R519 WeakPolarHBondContact O-CB 3.46Å; F515-R519 PolarHBondContact O-N 3.14Å; H516-R519 PolarHBondContact CD2-NH2 3.27Å; H516-R519 PolarHBondContact NE2-NH2 2.9Å; H516-R519 WeakPolarHBondContact O-CA 3.31Å; H516-R519 WeakPolarHBondContact O-CB 3.45Å; H516-R519 PolarHBondContact O-N 3.45Å; R519-P523 WeakPolarHBondContact O-CA 3.49Å; R519-F526 HydrophobicContact CB-CD1 4.43Å; R519-F526 HydrophobicContact CB-CD2 4.26Å; R519-F526 HydrophobicContact CB-CE2 4.37Å; R519-F526 HydrophobicContact CB-CG 4.3Å; R519-F526 HydrophobicContact CB-CZ 4.48Å; R519-F526 HydrophobicContact CG-CB 4.49Å; R519-F526 HydrophobicContact CG-CG 4.31Å; R519-E651 IonicContact CZ-OE1 3.84Å; R519-E651 IonicContact NH1-OE1 3.94Å; R519-E651 IonicContact NH2-OE1 2.71Å; R519-E651 PolarHBondContact NH2-OE1 3.23Å; R519-E651 IonicContact NH2-OE2 3.98Å; R519-E651 PolarHBondContact NH2-OE2 2.88Å
520	E	78.8	Confident	79.7	Confident	126 Å²	126	59.9 Å²	59.9	59%	0.589	30%	0.302	S	S	*	.	H	α-helix	trans	-76.7	-41.7	174.5	-70.3	-179.2	117.7	0	0	112.6	H516 E517 A518 P523	H516-E520 IonicContact CE1-OE1 3.87Å; H516-E520 PolarHBondContact CE1-OE1 2.83Å; H516-E520 IonicContact CE1-OE2 3.77Å; H516-E520 PolarHBondContact CE1-OE2 2.86Å; H516-E520 VanDerWaalsContact ND1-CD 3.25Å; H516-E520 IonicContact ND1-OE1 2.72Å; H516-E520 IonicContact ND1-OE2 2.8Å; H516-E520 PolarHBondContact ND1-OE2 3.1Å; H516-E520 PolarHBondContact O-N 3.47Å; E517-E520 PolarHBondContact O-N 2.8Å; A518-E520 VanDerWaalsContact C-N 3.34Å; E520-P523 WeakPolarHBondContact O-CD 3.32Å
521	A	81.9	Confident	79	Confident	63 Å²	63	65.1 Å²	65.1	52%	0.521	32%	0.321	S	S	.	.	H	α-helix	trans	-69.8	-33.8	-179.7	0	0	0	0	0	113.6	E517 A518	E517-A521 VanDerWaalsContact O-CB 3.29Å; E517-A521 WeakPolarHBondContact O-CB 3.32Å; E517-A521 PolarHBondContact O-N 3.35Å; A518-A521 PolarHBondContact O-N 3.36Å
522	H	77.9	Confident	78.6	Confident	77 Å²	77	65.6 Å²	65.6	36%	0.356	32%	0.324	S	S	.	.			trans	-136.4	62.6	-176	-62.7	-47.4	0	0	0	113.7	A518 E524 R525 F526	A518-H522 PolarHBondContact O-N 3.41Å; H522-E524 VanDerWaalsContact CA-OE2 3.25Å; H522-E524 WeakPolarHBondContact CA-OE2 3.44Å; H522-E524 IonicContact ND1-OE1 3.85Å; H522-E524 PolarHBondContact O-N 2.9Å; H522-R525 HydrophobicContact CB-CB 4.41Å; H522-R525 HydrophobicContact CB-CG 3.9Å; H522-R525 WeakPolarHBondContact O-CB 3.43Å; H522-R525 PolarHBondContact O-N 2.62Å; H522-F526 VanDerWaalsContact O-CD2 3.3Å; H522-F526 WeakPolarHBondContact O-CD2 3.44Å
523	P	74.4	Confident	78	Confident	84 Å²	84	70.1 Å²	70.1	55%	0.545	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-57.6	-28.3	-174.1	-23.1	34.1	0	0	0	114.1	R519 E520 R525 F526	R519-P523 WeakPolarHBondContact O-CA 3.49Å; E520-P523 WeakPolarHBondContact O-CD 3.32Å; P523-R525 PolarHBondContact O-N 2.64Å; P523-F526 PolarHBondContact O-N 3.48Å
524	E	73.1	Confident	77.2	Confident	106 Å²	106	75.2 Å²	75.2	50%	0.495	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-62.4	-24.6	177.8	80.7	-67.1	165.3	0	0	112.8	H522 N527	H522-E524 VanDerWaalsContact CA-OE2 3.25Å; H522-E524 WeakPolarHBondContact CA-OE2 3.44Å; H522-E524 IonicContact ND1-OE1 3.85Å; H522-E524 PolarHBondContact O-N 2.9Å; E524-N527 PolarHBondContact O-ND2 2.79Å
525	R	72.4	Confident	76.7	Confident	109 Å²	109	76 Å²	76	41%	0.411	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-79.3	-19.7	179.9	-57.7	-178.5	-169.1	-165.6	-2.8	113	H522 P523 R531	H522-R525 HydrophobicContact CB-CB 4.41Å; H522-R525 HydrophobicContact CB-CG 3.9Å; H522-R525 WeakPolarHBondContact O-CB 3.43Å; H522-R525 PolarHBondContact O-N 2.62Å; P523-R525 PolarHBondContact O-N 2.64Å; R525-R531 WeakPolarHBondContact O-CD 3.47Å; R525-R531 PolarHBondContact O-NE 3.15Å; R525-R531 PolarHBondContact O-NH1 2.93Å
526	F	70.3	Confident	76.3	Confident	24 Å²	24	77.8 Å²	77.8	11%	0.105	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-101.5	19.1	-171.2	-65	-93.3	0	0	0	114.1	F515 A518 R519 H522 P523 S528 N532 Y535	F515-F526 HydrophobicContact CD2-CE1 4.13Å; F515-F526 AromaticContact CE2-CD1 3.97Å; F515-F526 HydrophobicContact CE2-CD1 3.97Å; F515-F526 AromaticContact CE2-CE1 3.64Å; F515-F526 HydrophobicContact CE2-CE1 3.64Å; F515-F526 AromaticContact CZ-CD1 3.81Å; F515-F526 HydrophobicContact CZ-CD1 3.81Å; F515-F526 AromaticContact CZ-CE1 3.91Å; F515-F526 HydrophobicContact CZ-CE1 3.91Å; A518-F526 HydrophobicContact CB-CE2 4.36Å; A518-F526 HydrophobicContact CB-CZ 3.92Å; A518-F526 VanDerWaalsContact O-CE2 3.29Å; A518-F526 WeakPolarHBondContact O-CE2 3.38Å; R519-F526 HydrophobicContact CB-CD1 4.43Å; R519-F526 HydrophobicContact CB-CD2 4.26Å; R519-F526 HydrophobicContact CB-CE2 4.37Å; R519-F526 HydrophobicContact CB-CG 4.3Å; R519-F526 HydrophobicContact CB-CZ 4.48Å; R519-F526 HydrophobicContact CG-CB 4.49Å; R519-F526 HydrophobicContact CG-CG 4.31Å; H522-F526 VanDerWaalsContact O-CD2 3.3Å; H522-F526 WeakPolarHBondContact O-CD2 3.44Å; P523-F526 PolarHBondContact O-N 3.48Å; F526-S528 PolarHBondContact O-N 3.28Å; F526-N532 VanDerWaalsContact C-OD1 3.25Å; F526-N532 WeakPolarHBondContact CA-OD1 3.45Å; F526-N532 WeakPolarHBondContact CB-OD1 3.44Å; F526-N532 PolarHBondContact O-ND2 3.36Å; F526-N532 PolarHBondContact O-OD1 2.99Å; F526-Y535 AromaticContact CE1-CD1 3.73Å; F526-Y535 HydrophobicContact CE1-CD1 3.73Å; F526-Y535 HydrophobicContact CE1-CE1 4.25Å; F526-Y535 HydrophobicContact CE1-CG 4.03Å; F526-Y535 AromaticContact CZ-CD1 3.79Å; F526-Y535 HydrophobicContact CZ-CD1 3.79Å; F526-Y535 AromaticContact CZ-CE1 3.87Å; F526-Y535 HydrophobicContact CZ-CE1 3.87Å; F526-Y535 HydrophobicContact CZ-CG 4.13Å
527	N	67.6	Low	75.9	Confident	99 Å²	99	78.8 Å²	78.8	53%	0.529	39%	0.392	S	S	.	.	S	Bend	trans	-72.6	-5.3	-177.7	68.6	3.6	0	0	0	115.2	G357 E524	G357-N527 VanDerWaalsContact CA-O 3.24Å; G357-N527 WeakPolarHBondContact CA-O 3.28Å; E524-N527 PolarHBondContact O-ND2 2.79Å
528	S	75.2	Confident	75.4	Confident	48 Å²	48	80.4 Å²	80.4	34%	0.336	40%	0.4	S	S	.	.			trans	-134.7	124.9	-173.6	174.6	0	0	0	0	112.5	F526 L530 R531 N532	F526-S528 PolarHBondContact O-N 3.28Å; S528-L530 PolarHBondContact O-N 3.35Å; S528-L530 VanDerWaalsContact O-N 3.14Å; S528-R531 PolarHBondContact O-N 2.95Å; S528-N532 PolarHBondContact O-N 2.89Å; S528-N532 PolarHBondContact O-OD1 2.65Å; S528-N532 VanDerWaalsContact O-OD1 3.07Å
529	R	74.7	Confident	74.9	Confident	64 Å²	64	80.2 Å²	80.2	24%	0.242	40%	0.397	C	S	.	.	H	α-helix	trans	-53.2	-36.7	179.3	-64.8	-176.6	-68	-165.1	-1.1	113	G434 Y449 K533	G434-R529 WeakPolarHBondContact O-CD 3.32Å; Y449-R529 PolarHBondContact O-NH1 3.35Å; Y449-R529 VanDerWaalsContact O-NH1 3.08Å; Y449-R529 PolarHBondContact O-NH2 2.83Å; R529-K533 PolarHBondContact O-N 2.96Å; R529-K533 VanDerWaalsContact O-N 3.12Å
530	L	73.2	Confident	74.3	Confident	141 Å²	141	77 Å²	77	74%	0.738	39%	0.391	S	S	*	.	H	α-helix	trans	-69.3	-46.2	178.3	-178	63.3	0	0	0	111.6	S528 N532 K533 M534	S528-L530 PolarHBondContact O-N 3.35Å; S528-L530 VanDerWaalsContact O-N 3.14Å; L530-N532 VanDerWaalsContact C-N 3.31Å; L530-N532 PolarHBondContact O-N 3.17Å; L530-K533 PolarHBondContact O-N 3.2Å; L530-M534 WeakPolarHBondContact O-CB 3.27Å; L530-M534 PolarHBondContact O-N 2.66Å
531	R	75.3	Confident	73.7	Confident	123 Å²	123	72.7 Å²	72.7	46%	0.464	38%	0.38	S	S	.	.	H	α-helix	trans	-63.9	-38	177.4	-172.5	170.1	179.6	-167.4	6.6	111.5	R525 S528 M534 Y535	R525-R531 WeakPolarHBondContact O-CD 3.47Å; R525-R531 PolarHBondContact O-NE 3.15Å; R525-R531 PolarHBondContact O-NH1 2.93Å; S528-R531 PolarHBondContact O-N 2.95Å; R531-M534 PolarHBondContact O-N 3.33Å; R531-Y535 WeakPolarHBondContact O-CB 3.41Å; R531-Y535 PolarHBondContact O-N 2.65Å
532	N	79.1	Confident	73.1	Confident	16 Å²	16	74.4 Å²	74.4	9%	0.086	38%	0.376	C	S	.	.	H	α-helix	trans	-63.3	-47.7	176.6	-63	-1.6	0	0	0	111.3	T435 F515 F526 S528 L530 M534 Y535 Y536	T435-N532 HydrophobicContact CG2-CB 3.63Å; T435-N532 PolarHBondContact OG1-ND2 3.11Å; F515-N532 HydrophobicContact CE2-CB 4.46Å; F515-N532 WeakPolarHBondContact CE2-O 3.46Å; F515-N532 HydrophobicContact CZ-CB 4.2Å; F526-N532 VanDerWaalsContact C-OD1 3.25Å; F526-N532 WeakPolarHBondContact CA-OD1 3.45Å; F526-N532 WeakPolarHBondContact CB-OD1 3.44Å; F526-N532 PolarHBondContact O-ND2 3.36Å; F526-N532 PolarHBondContact O-OD1 2.99Å; S528-N532 PolarHBondContact O-N 2.89Å; S528-N532 PolarHBondContact O-OD1 2.65Å; S528-N532 VanDerWaalsContact O-OD1 3.07Å; L530-N532 VanDerWaalsContact C-N 3.31Å; L530-N532 PolarHBondContact O-N 3.17Å; N532-M534 PolarHBondContact O-N 2.84Å; N532-Y535 PolarHBondContact O-N 2.98Å; N532-Y536 PolarHBondContact O-N 2.67Å
533	K	76.5	Confident	72.5	Confident	100 Å²	100	71 Å²	71	44%	0.435	36%	0.36	S	S	.	.	H	α-helix	trans	-61.1	-43.1	174.2	-74.2	-163.4	173.5	-156.8	0	112.4	T435 R529 L530 Y535 Y536 G537	T435-K533 HydrophobicContact CG2-CG 3.71Å; T435-K533 WeakPolarHBondContact O-CE 3.37Å; R529-K533 PolarHBondContact O-N 2.96Å; R529-K533 VanDerWaalsContact O-N 3.12Å; L530-K533 PolarHBondContact O-N 3.2Å; K533-Y535 PolarHBondContact O-N 3.43Å; K533-Y536 PolarHBondContact O-N 3.23Å; K533-G537 PolarHBondContact O-N 2.71Å
534	M	73	Confident	71.8	Confident	121 Å²	121	69.1 Å²	69.1	60%	0.596	35%	0.345	S	S	*	.	H	α-helix	trans	-61.3	-42.9	177.1	-174.4	179.2	-178.4	0	0	112	L530 R531 N532 G537 Q538	L530-M534 WeakPolarHBondContact O-CB 3.27Å; L530-M534 PolarHBondContact O-N 2.66Å; R531-M534 PolarHBondContact O-N 3.33Å; N532-M534 PolarHBondContact O-N 2.84Å; M534-G537 PolarHBondContact O-N 3.37Å; M534-Q538 WeakPolarHBondContact O-CG 3.43Å; M534-Q538 PolarHBondContact O-N 3.11Å
535	Y	75.5	Confident	71.1	Confident	73 Å²	73	70.4 Å²	70.4	29%	0.286	35%	0.354	S	S	.	.	H	α-helix	trans	-66	-42.8	178.5	-167.1	-91	0	0	0	112.2	F515 A518 F526 R531 N532 K533 G537 Q538 M539	F515-Y535 AromaticContact CD2-CD1 3.93Å; F515-Y535 HydrophobicContact CD2-CD1 3.93Å; F515-Y535 HydrophobicContact CE2-CD1 4.34Å; A518-Y535 HydrophobicContact CB-CE1 3.63Å; A518-Y535 VanDerWaalsContact CB-OH 3.29Å; A518-Y535 WeakPolarHBondContact CB-OH 3.48Å; F526-Y535 AromaticContact CE1-CD1 3.73Å; F526-Y535 HydrophobicContact CE1-CD1 3.73Å; F526-Y535 HydrophobicContact CE1-CE1 4.25Å; F526-Y535 HydrophobicContact CE1-CG 4.03Å; F526-Y535 AromaticContact CZ-CD1 3.79Å; F526-Y535 HydrophobicContact CZ-CD1 3.79Å; F526-Y535 AromaticContact CZ-CE1 3.87Å; F526-Y535 HydrophobicContact CZ-CE1 3.87Å; F526-Y535 HydrophobicContact CZ-CG 4.13Å; R531-Y535 WeakPolarHBondContact O-CB 3.41Å; R531-Y535 PolarHBondContact O-N 2.65Å; N532-Y535 PolarHBondContact O-N 2.98Å; K533-Y535 PolarHBondContact O-N 3.43Å; Y535-G537 PolarHBondContact O-N 3.36Å; Y535-Q538 PolarHBondContact O-N 3.21Å; Y535-M539 HydrophobicContact CD1-CE 4.3Å; Y535-M539 HydrophobicContact CD1-CG 4.17Å; Y535-M539 HydrophobicContact CD2-CE 4.12Å; Y535-M539 HydrophobicContact CE1-CE 3.94Å; Y535-M539 HydrophobicContact CE1-CG 3.82Å; Y535-M539 HydrophobicContact CE1-SD 4.13Å; Y535-M539 HydrophobicContact CE2-CE 3.76Å; Y535-M539 HydrophobicContact CG-CE 4.38Å; Y535-M539 PolarHBondContact O-N 3.15Å
536	Y	75.3	Confident	70.5	Confident	65 Å²	65	70.7 Å²	70.7	26%	0.255	36%	0.363	S	S	.	.	H	α-helix	trans	-59.2	-46.2	174.7	-166.2	-89.1	0	0	0	111.5	D508 I511 F515 N532 K533 Q538 M539 G540	D508-Y536 PolarHBondContact OD1-OH 2.97Å; I511-Y536 HydrophobicContact CG2-CD1 4.35Å; I511-Y536 HydrophobicContact CG2-CD2 4.25Å; I511-Y536 HydrophobicContact CG2-CE1 4.01Å; I511-Y536 HydrophobicContact CG2-CE2 3.91Å; I511-Y536 HydrophobicContact CG2-CG 4.46Å; F515-Y536 HydrophobicContact CB-CD2 4.09Å; F515-Y536 AromaticContact CD2-CD2 3.8Å; F515-Y536 HydrophobicContact CD2-CD2 3.8Å; F515-Y536 HydrophobicContact CD2-CG 4.42Å; F515-Y536 HydrophobicContact CE2-CD2 4.46Å; F515-Y536 AromaticContact CG-CD2 3.94Å; F515-Y536 HydrophobicContact CG-CD2 3.94Å; N532-Y536 PolarHBondContact O-N 2.67Å; K533-Y536 PolarHBondContact O-N 3.23Å; Y536-Q538 VanDerWaalsContact C-N 3.32Å; Y536-Q538 PolarHBondContact O-N 3.03Å; Y536-M539 PolarHBondContact O-N 3Å; Y536-G540 PolarHBondContact O-N 3.4Å; Y536-G540 VanDerWaalsContact O-N 3.1Å
537	G	72.3	Confident	70.4	Confident	48 Å²	48	74.7 Å²	74.7	50%	0.495	38%	0.378	S	S	.	.	H	α-helix	trans	-62.1	-35.3	174.6	0	0	0	0	0	113.6	K533 M534 Y535 G541	K533-G537 PolarHBondContact O-N 2.71Å; M534-G537 PolarHBondContact O-N 3.37Å; Y535-G537 PolarHBondContact O-N 3.36Å; G537-G541 PolarHBondContact O-N 3.21Å
538	Q	75.6	Confident	70.5	Confident	102 Å²	102	75 Å²	75	48%	0.477	38%	0.376	S	S	.	.	H	α-helix	trans	-67.8	-36.6	174.9	-78	179.8	-24.5	0	0	113.1	M534 Y535 Y536 G541 K542	M534-Q538 WeakPolarHBondContact O-CG 3.43Å; M534-Q538 PolarHBondContact O-N 3.11Å; Y535-Q538 PolarHBondContact O-N 3.21Å; Y536-Q538 VanDerWaalsContact C-N 3.32Å; Y536-Q538 PolarHBondContact O-N 3.03Å; Q538-G541 PolarHBondContact O-N 3.25Å; Q538-K542 PolarHBondContact O-N 3.48Å
539	M	72	Confident	70.6	Confident	9 Å²	9	73.6 Å²	73.6	4%	0.044	36%	0.363	C	S	.	.	H	α-helix	trans	-72.6	-44.9	177.7	-60.5	-45.9	108.7	0	0	111.1	I511 Y535 Y536 G541 K542 D543	I511-M539 HydrophobicContact CG2-CB 4.26Å; Y535-M539 HydrophobicContact CD1-CE 4.3Å; Y535-M539 HydrophobicContact CD1-CG 4.17Å; Y535-M539 HydrophobicContact CD2-CE 4.12Å; Y535-M539 HydrophobicContact CE1-CE 3.94Å; Y535-M539 HydrophobicContact CE1-CG 3.82Å; Y535-M539 HydrophobicContact CE1-SD 4.13Å; Y535-M539 HydrophobicContact CE2-CE 3.76Å; Y535-M539 HydrophobicContact CG-CE 4.38Å; Y535-M539 PolarHBondContact O-N 3.15Å; Y536-M539 PolarHBondContact O-N 3Å; M539-G541 PolarHBondContact O-N 2.54Å; M539-K542 WeakPolarHBondContact O-CB 3.27Å; M539-K542 PolarHBondContact O-N 2.87Å; M539-K542 HydrophobicContact SD-CD 4.07Å; M539-K542 PolarHBondContact SD-NZ 2.66Å; M539-D543 PolarHBondContact O-N 2.71Å
540	G	67.4	Low	70.7	Confident	19 Å²	19	75.6 Å²	75.6	20%	0.196	37%	0.371	C	S	.	.	H	α-helix	trans	-58	-30.5	170.2	0	0	0	0	0	113.5	Y536 K542 D543 L544	Y536-G540 PolarHBondContact O-N 3.4Å; Y536-G540 VanDerWaalsContact O-N 3.1Å; G540-K542 VanDerWaalsContact C-N 3.32Å; G540-K542 PolarHBondContact O-N 3.3Å; G540-D543 PolarHBondContact O-N 2.88Å; G540-L544 PolarHBondContact O-N 3.1Å
541	G	66.1	Low	71.1	Confident	36 Å²	36	72.2 Å²	72.2	37%	0.371	35%	0.354	S	S	.	.	H	α-helix	trans	-62.3	-31.2	171	0	0	0	0	0	114.8	G537 Q538 M539	G537-G541 PolarHBondContact O-N 3.21Å; Q538-G541 PolarHBondContact O-N 3.25Å; M539-G541 PolarHBondContact O-N 2.54Å
542	K	68.3	Low	71.6	Confident	99 Å²	99	66.5 Å²	66.5	43%	0.43	33%	0.332	S	S	.	.	H	α-helix	trans	-78	-41.8	176	-63.7	172.7	-179.3	172.7	0	112.1	Q538 M539 G540 L544 I545 L546	Q538-K542 PolarHBondContact O-N 3.48Å; M539-K542 WeakPolarHBondContact O-CB 3.27Å; M539-K542 PolarHBondContact O-N 2.87Å; M539-K542 HydrophobicContact SD-CD 4.07Å; M539-K542 PolarHBondContact SD-NZ 2.66Å; G540-K542 VanDerWaalsContact C-N 3.32Å; G540-K542 PolarHBondContact O-N 3.3Å; K542-L544 PolarHBondContact O-N 3.37Å; K542-I545 WeakPolarHBondContact O-CA 3.13Å; K542-I545 VanDerWaalsContact O-CB 3.3Å; K542-I545 WeakPolarHBondContact O-CB 3.36Å; K542-I545 PolarHBondContact O-N 3.48Å; K542-L546 PolarHBondContact O-N 2.9Å; K542-L546 VanDerWaalsContact O-N 3.16Å
543	D	65.6	Low	72	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-67.4	-24.2	-174.1	-100	-10.5	0	0	0	113.6	V507 H510 I511 M539 G540 I545 L546 R547	V507-D543 HydrophobicContact CG2-CB 3.81Å; V507-D543 WeakPolarHBondContact CG2-OD2 3.39Å; H510-D543 IonicContact CD2-OD1 3.93Å; H510-D543 IonicContact CD2-OD2 3.76Å; I511-D543 HydrophobicContact CG1-CB 4.44Å; I511-D543 WeakPolarHBondContact CG1-OD2 3.43Å; M539-D543 PolarHBondContact O-N 2.71Å; G540-D543 PolarHBondContact O-N 2.88Å; D543-I545 PolarHBondContact O-N 2.88Å; D543-L546 PolarHBondContact O-N 3.18Å; D543-R547 PolarHBondContact O-N 3.08Å; D543-R547 VanDerWaalsContact O-N 3.09Å
544	L	60.4	Low	72.6	Confident	45 Å²	45	67.8 Å²	67.8	24%	0.236	34%	0.342	C	S	.	.	H	α-helix	trans	-52.9	-31.5	165.4	-79.5	164.2	0	0	0	113.1	G540 K542 T615 Y616 P619	G540-L544 PolarHBondContact O-N 3.1Å; K542-L544 PolarHBondContact O-N 3.37Å; L544-T615 HydrophobicContact CD2-CG2 3.93Å; L544-T615 VanDerWaalsContact CD2-O 3.26Å; L544-T615 WeakPolarHBondContact CD2-O 3.42Å; L544-T615 HydrophobicContact CG-CG2 4.06Å; L544-Y616 HydrophobicContact CD2-CD1 3.85Å; L544-Y616 HydrophobicContact CD2-CE1 4.16Å; L544-P619 HydrophobicContact CD1-CG 4.37Å
545	I	58	Low	73.5	Confident	134 Å²	134	64.3 Å²	64.3	69%	0.687	32%	0.322	S	S	*	.	H	α-helix	trans	-90.2	-46.4	-179.7	-50.5	176.5	0	0	0	110.3	K542 D543 R547	K542-I545 WeakPolarHBondContact O-CA 3.13Å; K542-I545 VanDerWaalsContact O-CB 3.3Å; K542-I545 WeakPolarHBondContact O-CB 3.36Å; K542-I545 PolarHBondContact O-N 3.48Å; D543-I545 PolarHBondContact O-N 2.88Å; I545-R547 WeakPolarHBondContact O-CG 3.22Å; I545-R547 PolarHBondContact O-N 2.87Å
546	L	60.4	Low	74.4	Confident	114 Å²	114	61 Å²	61	60%	0.597	31%	0.309	S	S	*	.	H	α-helix	trans	-71.7	-26.8	-172.4	-64.4	176.3	0	0	0	114.3	K542 D543 Q548	K542-L546 PolarHBondContact O-N 2.9Å; K542-L546 VanDerWaalsContact O-N 3.16Å; D543-L546 PolarHBondContact O-N 3.18Å; L546-Q548 PolarHBondContact O-N 2.87Å
547	R	66.8	Low	75.4	Confident	109 Å²	109	59.9 Å²	59.9	41%	0.411	31%	0.309	S	S	.	.			trans	57.7	18.1	165.8	-68.2	168.1	163.7	-165.7	-6.4	116.1	D543 I545 Y549 R550 Y616	D543-R547 PolarHBondContact O-N 3.08Å; D543-R547 VanDerWaalsContact O-N 3.09Å; I545-R547 WeakPolarHBondContact O-CG 3.22Å; I545-R547 PolarHBondContact O-N 2.87Å; R547-Y549 VanDerWaalsContact C-N 3.33Å; R547-Y549 PolarHBondContact O-N 3Å; R547-Y549 VanDerWaalsContact O-N 3.17Å; R547-R550 HydrophobicContact CB-CG 4.3Å; R547-R550 WeakPolarHBondContact O-CG 3.3Å; R547-R550 PolarHBondContact O-N 3.18Å; R547-Y616 PolarHBondContact NH2-OH 2.88Å
548	Q	69.8	Low	76.6	Confident	106 Å²	106	57.7 Å²	57.7	50%	0.495	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-34.8	-166.5	-170.3	177.9	34	0	0	115	L546	L546-Q548 PolarHBondContact O-N 2.87Å
549	Y	76.9	Confident	77.7	Confident	17 Å²	17	56.3 Å²	56.3	7%	0.067	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	23	-174.2	-57.4	-84.9	0	0	0	114.3	V507 H510 R547 N551 L552 W555 P645	V507-Y549 HydrophobicContact CB-CD2 4.04Å; V507-Y549 HydrophobicContact CG2-CD2 4.42Å; H510-Y549 HydrophobicContact CB-CE2 3.99Å; H510-Y549 AromaticContact CD2-CE2 3.59Å; R547-Y549 VanDerWaalsContact C-N 3.33Å; R547-Y549 PolarHBondContact O-N 3Å; R547-Y549 VanDerWaalsContact O-N 3.17Å; Y549-N551 PolarHBondContact O-N 2.85Å; Y549-N551 VanDerWaalsContact O-N 3.14Å; Y549-L552 WeakPolarHBondContact O-CB 3.01Å; Y549-L552 PolarHBondContact O-N 3.44Å; Y549-W555 HydrophobicContact CD1-CZ3 4.38Å; Y549-P645 HydrophobicContact CE1-CG 3.81Å; Y549-P645 HydrophobicContact CE2-CG 4.49Å
550	R	76.6	Confident	78.9	Confident	106 Å²	106	56 Å²	56	40%	0.4	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-30.8	177.8	-89.5	-178.7	167.4	-146.9	-14.9	114.8	R547	R547-R550 HydrophobicContact CB-CG 4.3Å; R547-R550 WeakPolarHBondContact O-CG 3.3Å; R547-R550 PolarHBondContact O-N 3.18Å
551	N	81.6	Confident	80.3	Confident	71 Å²	71	59.3 Å²	59.3	38%	0.38	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	24.2	-175.6	-68	13.5	0	0	0	112.6	Y549 S553 Q554 W555	Y549-N551 PolarHBondContact O-N 2.85Å; Y549-N551 VanDerWaalsContact O-N 3.14Å; N551-S553 PolarHBondContact O-N 3.46Å; N551-S553 VanDerWaalsContact O-N 3.12Å; N551-Q554 HydrophobicContact CB-CG 4.17Å; N551-Q554 PolarHBondContact ND2-OE1 3.17Å; N551-Q554 VanDerWaalsContact ND2-OE1 3.13Å; N551-Q554 VanDerWaalsContact O-CB 3.31Å; N551-Q554 WeakPolarHBondContact O-CB 3.44Å; N551-Q554 PolarHBondContact O-N 2.96Å; N551-W555 HydrophobicContact CB-CH2 4.01Å; N551-W555 HydrophobicContact CB-CZ2 3.73Å
552	L	87.3	Confident	81.7	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-51	-40.1	-176	-179.3	63.6	0	0	0	113.3	F505 Y549 Q554 W555 V556 H575 V577 I644	F505-L552 HydrophobicContact CD2-CD1 4.07Å; F505-L552 HydrophobicContact CD2-CD2 3.92Å; F505-L552 HydrophobicContact CD2-CG 4.38Å; F505-L552 HydrophobicContact CE2-CD1 4.23Å; F505-L552 HydrophobicContact CE2-CD2 3.85Å; F505-L552 HydrophobicContact CE2-CG 4.17Å; Y549-L552 WeakPolarHBondContact O-CB 3.01Å; Y549-L552 PolarHBondContact O-N 3.44Å; L552-Q554 PolarHBondContact O-N 3.03Å; L552-W555 PolarHBondContact O-N 3.29Å; L552-V556 HydrophobicContact CD1-CG2 3.8Å; L552-V556 HydrophobicContact CG-CG2 4.3Å; L552-V556 PolarHBondContact O-N 2.84Å; L552-H575 WeakPolarHBondContact CD2-O 3.45Å; L552-V577 HydrophobicContact CD2-CG2 4.42Å; L552-I644 HydrophobicContact CD1-CD1 3.96Å
553	S	87.4	Confident	83.1	Confident	21 Å²	21	61.5 Å²	61.5	15%	0.147	31%	0.31	C	S	.	.	H	α-helix	trans	-66	-9.9	177	54.6	0	0	0	0	115.4	N551 R570	N551-S553 PolarHBondContact O-N 3.46Å; N551-S553 VanDerWaalsContact O-N 3.12Å; S553-R570 WeakPolarHBondContact OG-CA 3.23Å
554	Q	88.7	Confident	84.6	Confident	123 Å²	123	66.3 Å²	66.3	58%	0.575	34%	0.336	S	S	*	.	H	α-helix	trans	-85.9	-22	170.2	-59.3	179.5	-9	0	0	112.1	N551 L552	N551-Q554 HydrophobicContact CB-CG 4.17Å; N551-Q554 PolarHBondContact ND2-OE1 3.17Å; N551-Q554 VanDerWaalsContact ND2-OE1 3.13Å; N551-Q554 VanDerWaalsContact O-CB 3.31Å; N551-Q554 WeakPolarHBondContact O-CB 3.44Å; N551-Q554 PolarHBondContact O-N 2.96Å; L552-Q554 PolarHBondContact O-N 3.03Å
555	W	91.3	Very high	86.3	Confident	48 Å²	48	65.4 Å²	65.4	18%	0.182	33%	0.33	C	S	.	.	H	α-helix	trans	-108	-3.5	-173.4	-47.4	-38.3	0	0	0	113.2	Y549 N551 L552 T640 K641 R642 I644	Y549-W555 HydrophobicContact CD1-CZ3 4.38Å; N551-W555 HydrophobicContact CB-CH2 4.01Å; N551-W555 HydrophobicContact CB-CZ2 3.73Å; L552-W555 PolarHBondContact O-N 3.29Å; W555-T640 CarbonylContact O-C 3.58Å; W555-T640 WeakPolarHBondContact O-CA 3.42Å; W555-K641 PolarHBondContact O-N 2.81Å; W555-R642 HydrophobicContact CG-CG 4.45Å; W555-I644 HydrophobicContact CB-CD1 4.29Å
556	V	95.1	Very high	88.1	Confident	3 Å²	3	60 Å²	60	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.9	-175.7	-176.2	0	0	0	0	110.1	F505 L552 I638 I639 T640 I644	F505-V556 HydrophobicContact CD2-CG2 4.48Å; F505-V556 HydrophobicContact CE2-CB 4.32Å; F505-V556 HydrophobicContact CE2-CG1 3.88Å; F505-V556 HydrophobicContact CE2-CG2 3.97Å; F505-V556 HydrophobicContact CZ-CG1 3.75Å; L552-V556 HydrophobicContact CD1-CG2 3.8Å; L552-V556 HydrophobicContact CG-CG2 4.3Å; L552-V556 PolarHBondContact O-N 2.84Å; V556-I638 HydrophobicContact CG1-CG2 3.49Å; V556-I638 VanDerWaalsContact CG1-CG2 3.49Å; V556-I639 WeakPolarHBondContact CA-O 3.25Å; V556-T640 HydrophobicContact CG2-CG2 4.23Å; V556-I644 HydrophobicContact CG2-CD1 3.4Å; V556-I644 VanDerWaalsContact CG2-CD1 3.4Å
557	T	96.5	Very high	89.7	Confident	42 Å²	42	55.4 Å²	55.4	26%	0.258	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	147.7	159.1	68.6	0	0	0	0	110.1	T566 I638 I639	T557-T566 VanDerWaalsContact CA-OG1 3.24Å; T557-T566 WeakPolarHBondContact CA-OG1 3.37Å; T557-T566 WeakPolarHBondContact CB-OG1 3.34Å; T557-T566 HydrophobicContact CG2-CG2 4.32Å; T557-I638 WeakPolarHBondContact O-CA 3.24Å; T557-I639 PolarHBondContact N-O 3.5Å; T557-I639 PolarHBondContact O-N 2.88Å; T557-I639 VanDerWaalsContact O-N 3.08Å; T557-I639 WeakPolarHBondContact OG1-CB 3.48Å
558	L	97.8	Very high	90.9	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	116.6	178.9	173.9	61.2	0	0	0	110.3	D564 F565 T566 L569 F579 V610 I630 I638	L558-D564 VanDerWaalsContact O-OD1 3.11Å; L558-F565 HydrophobicContact CD2-CB 4.09Å; L558-F565 HydrophobicContact CG-CB 4.23Å; L558-F565 PolarHBondContact O-N 3.46Å; L558-T566 PolarHBondContact N-OG1 3.25Å; L558-T566 PolarHBondContact O-N 2.75Å; L558-L569 HydrophobicContact CB-CD1 3.66Å; L558-L569 HydrophobicContact CD2-CD1 3.76Å; L558-L569 HydrophobicContact CD2-CD2 4.14Å; L558-L569 HydrophobicContact CD2-CG 4.06Å; L558-L569 HydrophobicContact CG-CD1 4.36Å; L558-F579 HydrophobicContact CD1-CE1 4.17Å; L558-F579 HydrophobicContact CD1-CZ 3.68Å; L558-V610 HydrophobicContact CD2-CG1 4.1Å; L558-I630 HydrophobicContact CD2-CG2 4.31Å; L558-I638 HydrophobicContact CD1-CG1 3.95Å
559	E	97.9	Very high	92.1	Very high	73 Å²	73	48.8 Å²	48.8	34%	0.341	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.9	170.8	180	-161.1	131.2	0	0	108.4	Q563 A636 R637	E559-Q563 CarbonylContact C-O 3.49Å; E559-Q563 WeakPolarHBondContact CA-O 3.25Å; E559-A636 CarbonylContact O-C 3.5Å; E559-A636 WeakPolarHBondContact O-CA 3.43Å; E559-R637 HydrophobicContact CB-CB 4.25Å; E559-R637 PolarHBondContact N-O 2.81Å; E559-R637 PolarHBondContact O-N 2.78Å
560	C	97.8	Very high	92.8	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.02	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.3	175.3	-66.4	0	0	0	0	109.4	G562 Q563 F565 C631 C633 K635	C560-G562 PolarHBondContact O-N 2.86Å; C560-G562 VanDerWaalsContact O-N 3.08Å; C560-Q563 PolarHBondContact N-O 3.3Å; C560-Q563 PolarHBondContact O-N 3.09Å; C560-F565 HydrophobicContact CB-CD2 3.81Å; C560-F565 HydrophobicContact CB-CE2 3.82Å; C560-C631 VanDerWaalsContact SG-SG 3.63Å; C560-C633 HydrophobicContact CB-CB 3.74Å; C560-K635 WeakPolarHBondContact CA-O 3.29Å
561	D	97.1	Very high	93.6	Very high	89 Å²	89	55.1 Å²	55.1	48%	0.476	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	33.5	-175.3	-64.5	-23.7	0	0	0	114.1	C633 R634 K635	D561-C633 WeakPolarHBondContact OD2-CA 3.39Å; D561-C633 WeakPolarHBondContact OD2-CB 3.46Å; D561-R634 VanDerWaalsContact CG-N 3.32Å; D561-R634 WeakPolarHBondContact OD1-CA 3.24Å; D561-R634 PolarHBondContact OD1-N 2.88Å; D561-R634 PolarHBondContact OD2-N 3.36Å; D561-K635 PolarHBondContact N-O 2.9Å; D561-K635 PolarHBondContact OD1-N 3.12Å
562	G	94.9	Very high	94	Very high	60 Å²	60	53.1 Å²	53.1	62%	0.619	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	1.1	-178.4	0	0	0	0	0	115.5	C560	C560-G562 PolarHBondContact O-N 2.86Å; C560-G562 VanDerWaalsContact O-N 3.08Å
563	Q	97.2	Very high	94.1	Very high	120 Å²	120	54.4 Å²	54.4	56%	0.561	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.8	176.2	179.8	174.7	10.3	0	0	111.6	E559 C560 F565	E559-Q563 CarbonylContact C-O 3.49Å; E559-Q563 WeakPolarHBondContact CA-O 3.25Å; C560-Q563 PolarHBondContact N-O 3.3Å; C560-Q563 PolarHBondContact O-N 3.09Å; Q563-F565 HydrophobicContact CB-CD2 4.47Å; Q563-F565 HydrophobicContact CB-CE2 3.8Å; Q563-F565 HydrophobicContact CB-CZ 4.33Å; Q563-F565 HydrophobicContact CG-CD2 4.33Å; Q563-F565 HydrophobicContact CG-CE2 3.75Å; Q563-F565 HydrophobicContact CG-CZ 3.92Å; Q563-F565 VanDerWaalsContact O-CD2 3.27Å; Q563-F565 WeakPolarHBondContact O-CD2 3.48Å
564	D	96.9	Very high	94.4	Very high	105 Å²	105	53.5 Å²	53.5	56%	0.561	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	124.3	173.9	-179.8	27.1	0	0	0	111.9	L558 T566	L558-D564 VanDerWaalsContact O-OD1 3.11Å; D564-T566 WeakPolarHBondContact OD1-CB 3.42Å; D564-T566 PolarHBondContact OD1-N 2.87Å; D564-T566 PolarHBondContact OD1-OG1 3.37Å
565	F	96.5	Very high	94.5	Very high	26 Å²	26	48.5 Å²	48.5	11%	0.114	27%	0.266	C	S	.	.			trans	-112.3	5.1	174.7	-71.5	-82.9	0	0	0	113.1	L558 C560 Q563 G567 K568 L569 I630 C631	L558-F565 HydrophobicContact CD2-CB 4.09Å; L558-F565 HydrophobicContact CG-CB 4.23Å; L558-F565 PolarHBondContact O-N 3.46Å; C560-F565 HydrophobicContact CB-CD2 3.81Å; C560-F565 HydrophobicContact CB-CE2 3.82Å; Q563-F565 HydrophobicContact CB-CD2 4.47Å; Q563-F565 HydrophobicContact CB-CE2 3.8Å; Q563-F565 HydrophobicContact CB-CZ 4.33Å; Q563-F565 HydrophobicContact CG-CD2 4.33Å; Q563-F565 HydrophobicContact CG-CE2 3.75Å; Q563-F565 HydrophobicContact CG-CZ 3.92Å; Q563-F565 VanDerWaalsContact O-CD2 3.27Å; Q563-F565 WeakPolarHBondContact O-CD2 3.48Å; F565-G567 PolarHBondContact O-N 3.08Å; F565-K568 HydrophobicContact CD1-CD 4.26Å; F565-K568 WeakPolarHBondContact O-CB 3.47Å; F565-K568 PolarHBondContact O-N 2.97Å; F565-L569 PolarHBondContact O-N 3.32Å; F565-I630 HydrophobicContact CB-CG2 3.83Å; F565-I630 HydrophobicContact CD1-CG2 3.82Å; F565-I630 HydrophobicContact CG-CG2 3.94Å; F565-C631 HydrophobicContact CE1-CB 4.01Å; F565-C631 HydrophobicContact CE2-CB 4.07Å; F565-C631 HydrophobicContact CZ-CB 3.71Å
566	T	94.9	Very high	94.6	Very high	20 Å²	20	46.2 Å²	46.2	12%	0.123	26%	0.257	C	S	.	.	H	α-helix	trans	-54.3	-40	179	-52.5	0	0	0	0	112.1	T557 L558 D564 L569 R570	T557-T566 VanDerWaalsContact CA-OG1 3.24Å; T557-T566 WeakPolarHBondContact CA-OG1 3.37Å; T557-T566 WeakPolarHBondContact CB-OG1 3.34Å; T557-T566 HydrophobicContact CG2-CG2 4.32Å; L558-T566 PolarHBondContact N-OG1 3.25Å; L558-T566 PolarHBondContact O-N 2.75Å; D564-T566 WeakPolarHBondContact OD1-CB 3.42Å; D564-T566 PolarHBondContact OD1-N 2.87Å; D564-T566 PolarHBondContact OD1-OG1 3.37Å; T566-L569 PolarHBondContact O-N 3.21Å; T566-R570 PolarHBondContact O-N 3.3Å; T566-R570 VanDerWaalsContact O-N 3.15Å
567	G	93.9	Very high	94.7	Very high	19 Å²	19	46.1 Å²	46.1	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-58	-50.2	172.8	0	0	0	0	0	112.4	F565 L569 R570 D571	F565-G567 PolarHBondContact O-N 3.08Å; G567-L569 VanDerWaalsContact C-N 3.32Å; G567-L569 PolarHBondContact O-N 2.88Å; G567-R570 WeakPolarHBondContact O-CB 3.41Å; G567-R570 PolarHBondContact O-N 3.19Å; G567-R570 VanDerWaalsContact O-N 3.08Å; G567-D571 PolarHBondContact O-N 3.37Å; G567-D571 VanDerWaalsContact O-OD2 3.09Å
568	K	93.7	Very high	94.8	Very high	72 Å²	72	44.1 Å²	44.1	31%	0.313	24%	0.244	S	C	.	.	H	α-helix	trans	-62.1	-35.6	179.9	-170.3	172.3	174.9	-177.5	0	112.6	F565 A572 C629 I630	F565-K568 HydrophobicContact CD1-CD 4.26Å; F565-K568 WeakPolarHBondContact O-CB 3.47Å; F565-K568 PolarHBondContact O-N 2.97Å; K568-A572 WeakPolarHBondContact O-CB 3.27Å; K568-A572 PolarHBondContact O-N 2.9Å; K568-C629 VanDerWaalsContact CE-O 3.28Å; K568-C629 WeakPolarHBondContact CE-O 3.37Å; K568-C629 PolarHBondContact NZ-O 2.9Å; K568-I630 HydrophobicContact CD-CD1 4.42Å; K568-I630 HydrophobicContact CD-CG2 4.25Å; K568-I630 HydrophobicContact CG-CD1 4.21Å; K568-I630 PolarHBondContact NZ-O 3.2Å
569	L	93.5	Very high	94.8	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-64.6	-39.5	173.4	-67.5	-175.5	0	0	0	112.9	L558 F565 T566 G567 G573 C574 V577 I630	L558-L569 HydrophobicContact CB-CD1 3.66Å; L558-L569 HydrophobicContact CD2-CD1 3.76Å; L558-L569 HydrophobicContact CD2-CD2 4.14Å; L558-L569 HydrophobicContact CD2-CG 4.06Å; L558-L569 HydrophobicContact CG-CD1 4.36Å; F565-L569 PolarHBondContact O-N 3.32Å; T566-L569 PolarHBondContact O-N 3.21Å; G567-L569 VanDerWaalsContact C-N 3.32Å; G567-L569 PolarHBondContact O-N 2.88Å; L569-G573 PolarHBondContact O-N 3.23Å; L569-C574 HydrophobicContact CD2-CB 4.43Å; L569-C574 PolarHBondContact O-N 3.13Å; L569-C574 VanDerWaalsContact O-N 3.08Å; L569-V577 HydrophobicContact CD1-CG2 4.07Å; L569-V577 HydrophobicContact CD2-CG1 4.33Å; L569-V577 HydrophobicContact CD2-CG2 3.72Å; L569-I630 HydrophobicContact CD2-CD1 3.93Å; L569-I630 HydrophobicContact CD2-CG1 4Å
570	R	92.9	Very high	94.8	Very high	138 Å²	138	40.7 Å²	40.7	52%	0.521	23%	0.229	S	C	.	.	H	α-helix	trans	-68.1	-49.2	176.5	177.9	-163.5	62.9	-126.3	-11	111.1	S553 T566 G567 A572 G573	S553-R570 WeakPolarHBondContact OG-CA 3.23Å; T566-R570 PolarHBondContact O-N 3.3Å; T566-R570 VanDerWaalsContact O-N 3.15Å; G567-R570 WeakPolarHBondContact O-CB 3.41Å; G567-R570 PolarHBondContact O-N 3.19Å; G567-R570 VanDerWaalsContact O-N 3.08Å; R570-A572 VanDerWaalsContact C-N 3.29Å; R570-A572 PolarHBondContact O-N 3.03Å; R570-G573 PolarHBondContact O-N 2.79Å
571	D	92.8	Very high	94.7	Very high	118 Å²	118	40.7 Å²	40.7	63%	0.631	23%	0.228	S	C	*	.	H	α-helix	trans	-71.7	-27.8	-172.9	-55.8	-22.8	0	0	0	111.5	G567 G573	G567-D571 PolarHBondContact O-N 3.37Å; G567-D571 VanDerWaalsContact O-OD2 3.09Å; D571-G573 VanDerWaalsContact C-N 3.33Å
572	A	90.1	Very high	94.6	Very high	29 Å²	29	36.4 Å²	36.4	24%	0.24	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	0.2	168.9	0	0	0	0	0	114.7	K568 R570 C574 T628	K568-A572 WeakPolarHBondContact O-CB 3.27Å; K568-A572 PolarHBondContact O-N 2.9Å; R570-A572 VanDerWaalsContact C-N 3.29Å; R570-A572 PolarHBondContact O-N 3.03Å; A572-C574 VanDerWaalsContact C-N 3.32Å; A572-C574 PolarHBondContact O-N 2.91Å; A572-T628 HydrophobicContact CB-CG2 3.82Å
573	G	90.3	Very high	94.4	Very high	28 Å²	28	35.8 Å²	35.8	29%	0.289	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	34.6	177.5	0	0	0	0	0	114.8	L569 R570 D571 H575	L569-G573 PolarHBondContact O-N 3.23Å; R570-G573 PolarHBondContact O-N 2.79Å; D571-G573 VanDerWaalsContact C-N 3.33Å; G573-H575 PolarHBondContact O-CD2 3.26Å; G573-H575 PolarHBondContact O-N 3.21Å; G573-H575 PolarHBondContact O-NE2 3.44Å
574	C	92.1	Very high	94.2	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.014	16%	0.164	C	C	.	.			trans	-67.8	129.9	-171	-57.5	0	0	0	0	112.6	L569 A572 G612	L569-C574 HydrophobicContact CD2-CB 4.43Å; L569-C574 PolarHBondContact O-N 3.13Å; L569-C574 VanDerWaalsContact O-N 3.08Å; A572-C574 VanDerWaalsContact C-N 3.32Å; A572-C574 PolarHBondContact O-N 2.91Å; C574-G612 VanDerWaalsContact SG-CA 3.57Å
575	H	92.4	Very high	94	Very high	18 Å²	18	25.5 Å²	25.5	8%	0.083	14%	0.139	C	C	.	.	S	Bend	trans	-102.6	-14.3	175.5	-54.3	171.7	0	0	0	112.6	V507 L552 G573 L613 T615	V507-H575 HydrophobicContact CG1-CB 3.9Å; V507-H575 PolarHBondContact N-O 3.06Å; L552-H575 WeakPolarHBondContact CD2-O 3.45Å; G573-H575 PolarHBondContact O-CD2 3.26Å; G573-H575 PolarHBondContact O-N 3.21Å; G573-H575 PolarHBondContact O-NE2 3.44Å; H575-L613 PolarHBondContact N-O 2.87Å; H575-T615 PolarHBondContact ND1-N 3.44Å; H575-T615 PolarHBondContact ND1-OG1 2.98Å
576	A	93.4	Very high	93.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	155.9	165.8	0	0	0	0	0	109.9	F505 V507 D508 L578 L613	F505-A576 VanDerWaalsContact O-CA 3.23Å; F505-A576 WeakPolarHBondContact O-CA 3.45Å; F505-A576 WeakPolarHBondContact O-CB 3.17Å; V507-A576 HydrophobicContact CG1-CB 3.92Å; D508-A576 HydrophobicContact CB-CB 3.98Å; A576-L578 HydrophobicContact CB-CD1 4.43Å; A576-L613 PolarHBondContact N-O 3.44Å; A576-L613 PolarHBondContact O-N 3.33Å
577	V	96.7	Very high	92.9	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136	172.1	-171.5	0	0	0	0	108.7	S504 F505 L552 L569 F579 V610 V611	S504-V577 WeakPolarHBondContact CA-O 3.46Å; S504-V577 VanDerWaalsContact CB-O 3.28Å; S504-V577 WeakPolarHBondContact CB-O 3.3Å; F505-V577 HydrophobicContact CD1-CB 4.47Å; F505-V577 HydrophobicContact CD2-CB 4.49Å; F505-V577 HydrophobicContact CE1-CB 3.9Å; F505-V577 HydrophobicContact CE1-CG1 4.38Å; F505-V577 HydrophobicContact CE1-CG2 4.48Å; F505-V577 HydrophobicContact CE2-CB 3.9Å; F505-V577 HydrophobicContact CE2-CG2 3.72Å; F505-V577 HydrophobicContact CZ-CB 3.58Å; F505-V577 HydrophobicContact CZ-CG1 4.24Å; F505-V577 HydrophobicContact CZ-CG2 3.67Å; F505-V577 PolarHBondContact N-O 2.85Å; F505-V577 PolarHBondContact O-N 3.4Å; L552-V577 HydrophobicContact CD2-CG2 4.42Å; L569-V577 HydrophobicContact CD1-CG2 4.07Å; L569-V577 HydrophobicContact CD2-CG1 4.33Å; L569-V577 HydrophobicContact CD2-CG2 3.72Å; V577-F579 HydrophobicContact CG1-CE2 3.76Å; V577-F579 HydrophobicContact CG1-CZ 4.2Å; V577-V610 HydrophobicContact CG1-CG1 3.95Å; V577-V611 CarbonylContact C-O 3.55Å; V577-V611 WeakPolarHBondContact CA-O 3.49Å
578	L	97.3	Very high	92.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	143.3	-177.1	-65.9	75.4	0	0	0	109.5	F503 A576 L580 Y585 V610 V611 L613	F503-L578 CarbonylContact O-C 3.59Å; F503-L578 WeakPolarHBondContact O-CA 3.5Å; A576-L578 HydrophobicContact CB-CD1 4.43Å; L578-L580 HydrophobicContact CB-CD2 4.05Å; L578-L580 HydrophobicContact CB-CG 4.49Å; L578-L580 HydrophobicContact CD2-CD2 4.08Å; L578-Y585 HydrophobicContact CD2-CD1 4.14Å; L578-Y585 HydrophobicContact CD2-CD2 3.6Å; L578-Y585 HydrophobicContact CD2-CE1 4.07Å; L578-Y585 HydrophobicContact CD2-CE2 3.52Å; L578-Y585 HydrophobicContact CD2-CG 3.93Å; L578-V610 CarbonylContact O-C 3.59Å; L578-V610 WeakPolarHBondContact O-CA 3.46Å; L578-V611 PolarHBondContact N-O 3.34Å; L578-V611 PolarHBondContact O-N 3.31Å; L578-L613 HydrophobicContact CD1-CB 4.46Å; L578-L613 HydrophobicContact CD1-CD1 3.57Å; L578-L613 HydrophobicContact CD1-CG 3.81Å; L578-L613 HydrophobicContact CD2-CD1 4.25Å
579	F	98	Very high	92.3	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	107.2	172.7	-65.1	-102	0	0	0	106.4	Y502 F503 F505 L558 V577 M608 E609 V610 A636 I638 I662	Y502-F579 CarbonylContact C-O 3.46Å; Y502-F579 WeakPolarHBondContact CA-O 3.49Å; Y502-F579 VanDerWaalsContact CB-O 3.3Å; Y502-F579 WeakPolarHBondContact CB-O 3.46Å; F503-F579 HydrophobicContact CB-CB 4.5Å; F503-F579 HydrophobicContact CD1-CB 4.38Å; F503-F579 AromaticContact CD1-CD2 3.63Å; F503-F579 HydrophobicContact CD1-CD2 3.63Å; F503-F579 HydrophobicContact CD1-CE2 4.29Å; F503-F579 HydrophobicContact CD1-CG 4.2Å; F503-F579 HydrophobicContact CE1-CD2 4.09Å; F503-F579 HydrophobicContact CE1-CE2 4.3Å; F503-F579 PolarHBondContact N-O 2.8Å; F503-F579 PolarHBondContact O-N 2.97Å; F505-F579 HydrophobicContact CD1-CE2 4.44Å; F505-F579 AromaticContact CE1-CE2 3.84Å; F505-F579 HydrophobicContact CE1-CE2 3.84Å; L558-F579 HydrophobicContact CD1-CE1 4.17Å; L558-F579 HydrophobicContact CD1-CZ 3.68Å; V577-F579 HydrophobicContact CG1-CE2 3.76Å; V577-F579 HydrophobicContact CG1-CZ 4.2Å; F579-M608 HydrophobicContact CB-SD 4.43Å; F579-E609 WeakPolarHBondContact CA-O 3.37Å; F579-V610 HydrophobicContact CD1-CG1 4.29Å; F579-V610 HydrophobicContact CD1-CG2 3.69Å; F579-V610 HydrophobicContact CE1-CB 4.36Å; F579-V610 HydrophobicContact CE1-CG1 3.8Å; F579-V610 HydrophobicContact CE1-CG2 3.63Å; F579-V610 HydrophobicContact CE2-CG1 4.41Å; F579-V610 HydrophobicContact CZ-CG1 3.86Å; F579-A636 HydrophobicContact CD1-CB 4.03Å; F579-A636 HydrophobicContact CE1-CB 3.49Å; F579-A636 VanDerWaalsContact CE1-CB 3.49Å; F579-A636 HydrophobicContact CZ-CB 4.37Å; F579-I638 HydrophobicContact CE2-CD1 3.88Å; F579-I638 HydrophobicContact CZ-CD1 3.86Å; F579-I638 HydrophobicContact CZ-CG1 4.17Å; F579-I662 HydrophobicContact CD1-CD1 4.36Å; F579-I662 HydrophobicContact CG-CD1 4.25Å
580	L	97.4	Very high	92.2	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	136.8	-171.9	-46.1	166.3	0	0	0	109.4	Y502 L578 P591 M608 E609 V611	Y502-L580 HydrophobicContact CG-CD2 4.47Å; L578-L580 HydrophobicContact CB-CD2 4.05Å; L578-L580 HydrophobicContact CB-CG 4.49Å; L578-L580 HydrophobicContact CD2-CD2 4.08Å; L580-P591 HydrophobicContact CD1-CG 3.72Å; L580-P591 HydrophobicContact CD2-CG 4.36Å; L580-M608 VanDerWaalsContact O-CA 3.31Å; L580-M608 WeakPolarHBondContact O-CA 3.44Å; L580-E609 HydrophobicContact CB-CB 4.15Å; L580-E609 HydrophobicContact CD1-CB 4.06Å; L580-E609 HydrophobicContact CG-CB 4.42Å; L580-E609 PolarHBondContact N-O 3.19Å; L580-E609 PolarHBondContact O-N 3.18Å; L580-V611 HydrophobicContact CD1-CG2 3.94Å
581	N	96.8	Very high	92.2	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.011	14%	0.135	C	C	.	.	S	Bend	trans	-106.3	-15.2	167.9	179.1	65.3	0	0	0	111.8	D470 W472 I499 N500 N501	D470-N581 WeakPolarHBondContact CB-OD1 3.3Å; D470-N581 PolarHBondContact O-ND2 3.33Å; D470-N581 PolarHBondContact O-OD1 3.06Å; W472-N581 PolarHBondContact NE1-OD1 2.74Å; I499-N581 HydrophobicContact CG2-CB 4.43Å; N500-N581 PolarHBondContact O-ND2 3.03Å; N501-N581 PolarHBondContact O-N 3.15Å
582	I	95.3	Very high	92.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-132.4	147.9	177	68.3	175.3	0	0	0	109.8	D438 L439 A442 N501 S584 I603	D438-I582 HydrophobicContact CB-CD1 4.03Å; L439-I582 HydrophobicContact CB-CD1 4.36Å; L439-I582 HydrophobicContact CD1-CG2 4.49Å; A442-I582 HydrophobicContact CB-CB 4.01Å; A442-I582 HydrophobicContact CB-CD1 4.32Å; A442-I582 HydrophobicContact CB-CG2 4.37Å; N501-I582 HydrophobicContact CB-CD1 3.72Å; N501-I582 HydrophobicContact CB-CG1 4.12Å; N501-I582 PolarHBondContact O-N 3.04Å; I582-S584 WeakPolarHBondContact CG1-O 3.49Å; I582-S584 PolarHBondContact O-N 3.06Å; I582-I603 HydrophobicContact CB-CG2 4.21Å; I582-I603 HydrophobicContact CG2-CG2 3.89Å
583	P	91.3	Very high	92.3	Very high	47 Å²	47	17 Å²	17	31%	0.305	11%	0.108	S	C	.	.	S	Bend	trans	-69.4	-5.8	-177.9	26.7	-35.7	0	0	0	114.3	H590	P583-H590 PolarHBondContact O-ND1 3.36Å
584	S	92.1	Very high	92	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.007	12%	0.119	C	C	.	.			trans	-103.4	125.8	-179.3	-168.1	0	0	0	0	111	D438 I582	D438-S584 WeakPolarHBondContact CB-O 3.4Å; D438-S584 WeakPolarHBondContact O-CB 3.34Å; D438-S584 PolarHBondContact OD1-OG 3.34Å; I582-S584 WeakPolarHBondContact CG1-O 3.49Å; I582-S584 PolarHBondContact O-N 3.06Å
585	Y	92.3	Very high	91.6	Very high	7 Å²	7	25.8 Å²	25.8	3%	0.027	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-135.9	158.2	175.1	154.3	-88.9	0	0	0	110.9	D438 Y502 D508 L578 G587 G588 T589 P591 L618 L621	D438-Y585 PolarHBondContact OD1-N 3.41Å; Y502-Y585 HydrophobicContact CD1-CD2 4.11Å; Y502-Y585 HydrophobicContact CD2-CD2 4.09Å; Y502-Y585 HydrophobicContact CD2-CE2 4.48Å; Y502-Y585 AromaticContact CE1-CD2 3.83Å; Y502-Y585 HydrophobicContact CE1-CD2 3.83Å; Y502-Y585 AromaticContact CE2-CD2 3.8Å; Y502-Y585 HydrophobicContact CE2-CD2 3.8Å; Y502-Y585 AromaticContact CE2-CE2 3.95Å; Y502-Y585 HydrophobicContact CE2-CE2 3.95Å; Y502-Y585 HydrophobicContact CG-CD2 4.25Å; Y502-Y585 AromaticContact CZ-CD2 3.67Å; D508-Y585 PolarHBondContact OD1-OH 2.55Å; L578-Y585 HydrophobicContact CD2-CD1 4.14Å; L578-Y585 HydrophobicContact CD2-CD2 3.6Å; L578-Y585 HydrophobicContact CD2-CE1 4.07Å; L578-Y585 HydrophobicContact CD2-CE2 3.52Å; L578-Y585 HydrophobicContact CD2-CG 3.93Å; Y585-G587 PolarHBondContact O-N 2.91Å; Y585-G588 PolarHBondContact O-N 2.82Å; Y585-T589 WeakPolarHBondContact CD1-OG1 3.41Å; Y585-T589 PolarHBondContact N-O 3.15Å; Y585-T589 WeakPolarHBondContact O-CA 3.2Å; Y585-T589 PolarHBondContact O-N 3.3Å; Y585-T589 PolarHBondContact O-OG1 3.16Å; Y585-P591 HydrophobicContact CD1-CB 4.48Å; Y585-P591 HydrophobicContact CD1-CG 3.94Å; Y585-P591 HydrophobicContact CG-CG 4.18Å; Y585-L618 VanDerWaalsContact OH-CD2 3.31Å; Y585-L618 WeakPolarHBondContact OH-CD2 3.34Å; Y585-L621 HydrophobicContact CD1-CD1 4.02Å; Y585-L621 HydrophobicContact CE1-CD1 3.6Å
586	G	84.6	Confident	91.1	Very high	22 Å²	22	28.7 Å²	28.7	23%	0.227	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	24.7	171.1	0	0	0	0	0	114.9	Q622	G586-Q622 PolarHBondContact O-NE2 3.46Å
587	G	83.9	Confident	89.9	Confident	11 Å²	11	31 Å²	31	11%	0.113	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	34.1	-176.2	0	0	0	0	0	114.4	D438 R441 Y585	D438-G587 WeakPolarHBondContact OD1-CA 3.31Å; D438-G587 PolarHBondContact OD1-N 2.71Å; D438-G587 VanDerWaalsContact OD1-N 3.15Å; D438-G587 WeakPolarHBondContact OD2-CA 3.28Å; D438-G587 PolarHBondContact OD2-N 2.82Å; R441-G587 VanDerWaalsContact CZ-C 3.48Å; R441-G587 VanDerWaalsContact CZ-O 3.25Å; R441-G587 PolarHBondContact NE-O 2.76Å; R441-G587 PolarHBondContact NH2-O 3.01Å; Y585-G587 PolarHBondContact O-N 2.91Å
588	G	85.8	Confident	88.6	Confident	27 Å²	27	36.2 Å²	36.2	28%	0.278	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	114.7	19.3	170.4	0	0	0	0	0	117.1	D438 R441 Y585	D438-G588 PolarHBondContact OD1-N 2.72Å; R441-G588 VanDerWaalsContact NE-CA 3.35Å; Y585-G588 PolarHBondContact O-N 2.82Å
589	T	90.1	Very high	87.8	Confident	8 Å²	8	38.7 Å²	38.7	5%	0.049	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-92.9	160	171.9	65.9	0	0	0	0	111.4	Y585 P591 L621 Q622	Y585-T589 WeakPolarHBondContact CD1-OG1 3.41Å; Y585-T589 PolarHBondContact N-O 3.15Å; Y585-T589 WeakPolarHBondContact O-CA 3.2Å; Y585-T589 PolarHBondContact O-N 3.3Å; Y585-T589 PolarHBondContact O-OG1 3.16Å; T589-P591 WeakPolarHBondContact O-CD 3.17Å; T589-L621 HydrophobicContact CG2-CB 4.05Å; T589-L621 VanDerWaalsContact CG2-O 3.31Å; T589-L621 WeakPolarHBondContact CG2-O 3.4Å; T589-Q622 HydrophobicContact CG2-CG 4.29Å; T589-Q622 VanDerWaalsContact CG2-NE2 3.29Å
590	H	91.8	Very high	87.3	Confident	115 Å²	115	45 Å²	45	53%	0.532	28%	0.282	S	S	.	.			trans	-121.5	86.9	-176.8	-62.8	-53.8	0	0	0	109.7	P583 W592	P583-H590 PolarHBondContact O-ND1 3.36Å; H590-W592 VanDerWaalsContact C-N 3.3Å; H590-W592 PolarHBondContact O-N 3Å
591	P	92.3	Very high	86.8	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	29%	0.286	C	S	.	.			trans	-77.5	-8.7	-174.6	31	-37.1	0	0	0	114.6	L580 Y585 T589 V611 L621 G627	L580-P591 HydrophobicContact CD1-CG 3.72Å; L580-P591 HydrophobicContact CD2-CG 4.36Å; Y585-P591 HydrophobicContact CD1-CB 4.48Å; Y585-P591 HydrophobicContact CD1-CG 3.94Å; Y585-P591 HydrophobicContact CG-CG 4.18Å; T589-P591 WeakPolarHBondContact O-CD 3.17Å; P591-V611 HydrophobicContact CB-CG1 4.37Å; P591-L621 HydrophobicContact CB-CD1 4.04Å; P591-L621 HydrophobicContact CB-CD2 3.94Å; P591-G627 PolarHBondContact O-N 2.95Å
592	W	93.7	Very high	86.5	Confident	20 Å²	20	47.7 Å²	47.7	8%	0.076	30%	0.301	C	S	.	.	S	Bend	trans	-84.1	148.4	170.4	-170	-100.9	0	0	0	111.5	H590 F596 P601 E609 V611 C629 C631 Q632	H590-W592 VanDerWaalsContact C-N 3.3Å; H590-W592 PolarHBondContact O-N 3Å; W592-F596 AromaticContact CH2-CD1 3.56Å; W592-F596 HydrophobicContact CH2-CD1 3.56Å; W592-F596 AromaticContact CH2-CE1 3.82Å; W592-F596 HydrophobicContact CH2-CE1 3.82Å; W592-F596 AromaticContact CZ2-CD1 3.48Å; W592-F596 HydrophobicContact CZ2-CD1 3.48Å; W592-F596 VanDerWaalsContact CZ2-CD1 3.48Å; W592-F596 HydrophobicContact CZ2-CE1 4.17Å; W592-F596 HydrophobicContact CZ2-CG 4.49Å; W592-F596 WeakPolarHBondContact CZ2-O 3.36Å; W592-F596 HydrophobicContact CZ3-CD1 4.43Å; W592-F596 PolarHBondContact NE1-O 2.89Å; W592-P601 HydrophobicContact CB-CG 4.33Å; W592-P601 HydrophobicContact CD2-CG 4.37Å; W592-P601 HydrophobicContact CG-CG 3.75Å; W592-E609 HydrophobicContact CB-CG 4.39Å; W592-E609 HydrophobicContact CD2-CB 3.93Å; W592-E609 HydrophobicContact CD2-CG 3.32Å; W592-E609 HydrophobicContact CE3-CB 3.41Å; W592-E609 VanDerWaalsContact CE3-CB 3.41Å; W592-E609 HydrophobicContact CE3-CG 3.35Å; W592-E609 HydrophobicContact CG-CG 3.83Å; W592-E609 HydrophobicContact CH2-CB 4.34Å; W592-E609 HydrophobicContact CH2-CG 3.99Å; W592-E609 HydrophobicContact CZ2-CG 3.96Å; W592-E609 HydrophobicContact CZ3-CB 3.66Å; W592-E609 HydrophobicContact CZ3-CG 3.7Å; W592-V611 HydrophobicContact CE3-CG2 3.59Å; W592-V611 HydrophobicContact CZ3-CG2 4.16Å; W592-C629 HydrophobicContact CD2-CB 4.48Å; W592-C629 HydrophobicContact CE3-CB 3.98Å; W592-C629 HydrophobicContact CH2-CB 4.03Å; W592-C629 HydrophobicContact CZ3-CB 3.73Å; W592-C631 WeakPolarHBondContact CH2-O 3.36Å; W592-Q632 HydrophobicContact CH2-CG 3.64Å; W592-Q632 HydrophobicContact CZ2-CG 3.59Å
593	N	91.1	Very high	86.5	Confident	45 Å²	45	48.8 Å²	48.8	24%	0.241	31%	0.306	C	S	.	.			trans	-97.5	115.6	169.5	-175.5	-28.7	0	0	0	109.3	S595 F596 H626 C629	N593-S595 PolarHBondContact O-N 2.89Å; N593-S595 VanDerWaalsContact OD1-CB 3.29Å; N593-S595 WeakPolarHBondContact OD1-CB 3.13Å; N593-S595 PolarHBondContact OD1-N 2.88Å; N593-F596 HydrophobicContact CB-CB 4.41Å; N593-F596 WeakPolarHBondContact O-CB 3.45Å; N593-F596 PolarHBondContact O-N 3.03Å; N593-H626 HydrophobicContact CB-CB 4.19Å; N593-H626 PolarHBondContact ND2-CD2 2.98Å; N593-H626 VanDerWaalsContact ND2-CD2 3.33Å; N593-H626 PolarHBondContact ND2-CE1 2.79Å; N593-H626 PolarHBondContact ND2-NE2 3.15Å; N593-C629 PolarHBondContact N-SG 2.86Å
594	D	83.8	Confident	86.6	Confident	98 Å²	98	49.8 Å²	49.8	52%	0.524	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-22.2	178.5	-89.4	-9.5	0	0	0	114.6	F596 K600	D594-F596 VanDerWaalsContact C-N 3.31Å; D594-K600 IonicContact OD1-NZ 2.67Å; D594-K600 PolarHBondContact OD1-NZ 3.4Å; D594-K600 IonicContact OD2-NZ 2.67Å; D594-K600 PolarHBondContact OD2-NZ 2.68Å
595	S	82.7	Confident	86.7	Confident	116 Å²	116	51.8 Å²	51.8	81%	0.811	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	2.1	176.1	-53.8	0	0	0	0	113.8	N593	N593-S595 PolarHBondContact O-N 2.89Å; N593-S595 VanDerWaalsContact OD1-CB 3.29Å; N593-S595 WeakPolarHBondContact OD1-CB 3.13Å; N593-S595 PolarHBondContact OD1-N 2.88Å
596	F	82.4	Confident	86.9	Confident	79 Å²	79	51.8 Å²	51.8	35%	0.346	32%	0.322	S	S	.	.	S	Bend	trans	-114.3	139.7	177.4	-173.6	-79.1	0	0	0	110.7	W592 N593 D594 C629	W592-F596 AromaticContact CH2-CD1 3.56Å; W592-F596 HydrophobicContact CH2-CD1 3.56Å; W592-F596 AromaticContact CH2-CE1 3.82Å; W592-F596 HydrophobicContact CH2-CE1 3.82Å; W592-F596 AromaticContact CZ2-CD1 3.48Å; W592-F596 HydrophobicContact CZ2-CD1 3.48Å; W592-F596 VanDerWaalsContact CZ2-CD1 3.48Å; W592-F596 HydrophobicContact CZ2-CE1 4.17Å; W592-F596 HydrophobicContact CZ2-CG 4.49Å; W592-F596 WeakPolarHBondContact CZ2-O 3.36Å; W592-F596 HydrophobicContact CZ3-CD1 4.43Å; W592-F596 PolarHBondContact NE1-O 2.89Å; N593-F596 HydrophobicContact CB-CB 4.41Å; N593-F596 WeakPolarHBondContact O-CB 3.45Å; N593-F596 PolarHBondContact O-N 3.03Å; D594-F596 VanDerWaalsContact C-N 3.31Å; F596-C629 HydrophobicContact CB-CB 4.05Å; F596-C629 HydrophobicContact CD1-CB 3.35Å; F596-C629 HydrophobicContact CD2-CB 3.98Å; F596-C629 HydrophobicContact CE1-CB 3.71Å; F596-C629 HydrophobicContact CE2-CB 4.28Å; F596-C629 HydrophobicContact CG-CB 3.52Å; F596-C629 HydrophobicContact CZ-CB 4.16Å; F596-C629 WeakPolarHBondContact CZ-O 3.5Å
597	G	69.4	Low	87.4	Confident	49 Å²	49	51.8 Å²	51.8	51%	0.505	32%	0.316	S	S	.	.	S	Bend	trans	104.2	177.9	-175.7	0	0	0	0	0	112.7
598	A	68.4	Low	88	Confident	110 Å²	110	51.3 Å²	51.3	91%	0.909	31%	0.311	S	S	*	.	S	Bend	trans	-94	-20.4	174.8	0	0	0	0	0	112.4
599	S	81.2	Confident	88.5	Confident	53 Å²	53	50.1 Å²	50.1	37%	0.371	30%	0.298	S	S	.	.	S	Bend	trans	-139.7	141.5	179.2	46.9	0	0	0	0	109.9	Q632	S599-Q632 PolarHBondContact O-NE2 3.01Å; S599-Q632 PolarHBondContact O-OE1 3.28Å
600	K	86.8	Confident	88.9	Confident	133 Å²	133	49.7 Å²	49.7	58%	0.578	30%	0.296	S	S	*	.			trans	-60.2	137.8	170.5	178.9	177	169	63.5	0	109.5	D594 S602	D594-K600 IonicContact OD1-NZ 2.67Å; D594-K600 PolarHBondContact OD1-NZ 3.4Å; D594-K600 IonicContact OD2-NZ 2.67Å; D594-K600 PolarHBondContact OD2-NZ 2.68Å; K600-S602 PolarHBondContact O-N 3.02Å
601	P	88.4	Confident	89.1	Confident	15 Å²	15	44.2 Å²	44.2	10%	0.097	27%	0.271	C	S	.	.			trans	-50.3	124.8	178.9	-30.7	36.1	0	0	0	113.4	W592 E609	W592-P601 HydrophobicContact CB-CG 4.33Å; W592-P601 HydrophobicContact CD2-CG 4.37Å; W592-P601 HydrophobicContact CG-CG 3.75Å; P601-E609 VanDerWaalsContact CB-CD 3.49Å; P601-E609 HydrophobicContact CB-CG 4.19Å; P601-E609 HydrophobicContact CG-CG 3.72Å
602	S	90.3	Very high	89.2	Confident	45 Å²	45	44.2 Å²	44.2	32%	0.315	27%	0.271	S	S	.	.			trans	-107.3	178.2	164.1	-156.4	0	0	0	0	110.9	K600 D604 D605	K600-S602 PolarHBondContact O-N 3.02Å; S602-D604 WeakPolarHBondContact CB-OD1 3.49Å; S602-D604 PolarHBondContact OG-OD1 2.75Å; S602-D605 VanDerWaalsContact CB-OD2 3.31Å; S602-D605 WeakPolarHBondContact CB-OD2 3.49Å; S602-D605 PolarHBondContact N-OD2 2.89Å; S602-D605 VanDerWaalsContact N-OD2 3.1Å
603	I	93.7	Very high	89.2	Confident	23 Å²	23	43.3 Å²	43.3	12%	0.118	27%	0.267	C	S	.	.	S	Bend	trans	-100.5	0.2	170.2	66.6	172.2	0	0	0	112.1	L443 V467 L468 M469 D470 I582	L443-I603 HydrophobicContact CD2-CD1 4.01Å; V467-I603 HydrophobicContact CG2-CD1 4.18Å; L468-I603 WeakPolarHBondContact O-CD1 3.36Å; M469-I603 CarbonylContact C-O 3.57Å; M469-I603 VanDerWaalsContact CA-O 3.25Å; M469-I603 WeakPolarHBondContact CA-O 3.4Å; M469-I603 HydrophobicContact CB-CD1 4.35Å; M469-I603 HydrophobicContact CG-CB 4.38Å; M469-I603 HydrophobicContact CG-CD1 4.39Å; D470-I603 PolarHBondContact N-O 3.26Å; I582-I603 HydrophobicContact CB-CG2 4.21Å; I582-I603 HydrophobicContact CG2-CG2 3.89Å
604	D	94.6	Very high	89.1	Confident	68 Å²	68	42.6 Å²	42.6	36%	0.364	26%	0.264	S	S	.	.	S	Bend	trans	-143.5	13.8	-166.2	68.3	-19.4	0	0	0	115.3	L468 D470 S602 K667	L468-D604 HydrophobicContact CB-CB 4.01Å; D470-D604 WeakPolarHBondContact OD2-CA 3.38Å; S602-D604 WeakPolarHBondContact CB-OD1 3.49Å; S602-D604 PolarHBondContact OG-OD1 2.75Å; D604-K667 VanDerWaalsContact C-NZ 3.34Å; D604-K667 PolarHBondContact O-NZ 3.2Å
605	D	94.4	Very high	89.1	Confident	44 Å²	44	38.3 Å²	38.3	24%	0.235	24%	0.242	C	C	.	.	S	Bend	trans	-88.9	-4.5	179.3	56.4	26.4	0	0	0	114.4	D470 S602 L607 R634	D470-D605 PolarHBondContact OD2-N 2.86Å; S602-D605 VanDerWaalsContact CB-OD2 3.31Å; S602-D605 WeakPolarHBondContact CB-OD2 3.49Å; S602-D605 PolarHBondContact N-OD2 2.89Å; S602-D605 VanDerWaalsContact N-OD2 3.1Å; D605-L607 WeakPolarHBondContact OD1-CB 3.31Å; D605-L607 PolarHBondContact OD1-N 2.63Å; D605-R634 PolarHBondContact O-NH1 2.88Å
606	G	95.5	Very high	89	Confident	6 Å²	6	38.4 Å²	38.4	6%	0.062	23%	0.225	C	C	.	.	S	Bend	trans	68.8	31.8	-175.4	0	0	0	0	0	113.8	D470 W472 R634	D470-G606 VanDerWaalsContact OD2-CA 3.31Å; D470-G606 WeakPolarHBondContact OD2-CA 3.34Å; D470-G606 PolarHBondContact OD2-N 3.17Å; W472-G606 WeakPolarHBondContact CH2-O 3.4Å; G606-R634 WeakPolarHBondContact O-CG 3.33Å; G606-R634 PolarHBondContact O-NH1 2.8Å
607	L	95.8	Very high	89.2	Confident	23 Å²	23	36.4 Å²	36.4	12%	0.12	22%	0.217	C	C	.	.			trans	-119	161.4	171.6	-63.6	165.8	0	0	0	111.1	W472 D605 Q632 C633 R634	W472-L607 VanDerWaalsContact CZ2-O 3.27Å; W472-L607 WeakPolarHBondContact CZ2-O 3.29Å; D605-L607 WeakPolarHBondContact OD1-CB 3.31Å; D605-L607 PolarHBondContact OD1-N 2.63Å; L607-Q632 HydrophobicContact CD1-CB 4.41Å; L607-C633 CarbonylContact C-O 3.23Å; L607-C633 WeakPolarHBondContact CA-O 3.45Å; L607-R634 HydrophobicContact CD2-CG 3.72Å
608	M	96.2	Very high	89.7	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.8	165.3	-64.3	177	-73.7	0	0	110	W472 F579 L580 Q632 C633 A636 I662	W472-M608 HydrophobicContact CB-SD 4.3Å; W472-M608 HydrophobicContact CD2-CE 4.16Å; W472-M608 HydrophobicContact CD2-CG 3.61Å; W472-M608 HydrophobicContact CD2-SD 3.55Å; W472-M608 VanDerWaalsContact CD2-SD 3.55Å; W472-M608 HydrophobicContact CE3-CE 3.69Å; W472-M608 HydrophobicContact CE3-CG 4Å; W472-M608 HydrophobicContact CE3-SD 3.73Å; W472-M608 HydrophobicContact CG-CG 4.13Å; W472-M608 HydrophobicContact CG-SD 3.78Å; W472-M608 HydrophobicContact CH2-CG 4.03Å; W472-M608 HydrophobicContact CZ2-CG 3.65Å; W472-M608 HydrophobicContact CZ3-CE 3.92Å; W472-M608 HydrophobicContact CZ3-CG 4.21Å; W472-M608 HydrophobicContact CZ3-SD 4.35Å; F579-M608 HydrophobicContact CB-SD 4.43Å; L580-M608 VanDerWaalsContact O-CA 3.31Å; L580-M608 WeakPolarHBondContact O-CA 3.44Å; M608-Q632 WeakPolarHBondContact O-CA 3.42Å; M608-C633 PolarHBondContact N-O 2.88Å; M608-C633 PolarHBondContact O-N 3.09Å; M608-C633 VanDerWaalsContact O-N 3.08Å; M608-A636 HydrophobicContact CE-CB 4.45Å; M608-I662 HydrophobicContact CE-CB 4.24Å; M608-I662 HydrophobicContact CE-CG2 3.79Å; M608-I662 HydrophobicContact SD-CG2 3.65Å
609	E	96.7	Very high	90.3	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	120.8	168.1	-79.4	69.5	-137.4	0	0	111.1	F579 L580 W592 P601 Q632	F579-E609 WeakPolarHBondContact CA-O 3.37Å; L580-E609 HydrophobicContact CB-CB 4.15Å; L580-E609 HydrophobicContact CD1-CB 4.06Å; L580-E609 HydrophobicContact CG-CB 4.42Å; L580-E609 PolarHBondContact N-O 3.19Å; L580-E609 PolarHBondContact O-N 3.18Å; W592-E609 HydrophobicContact CB-CG 4.39Å; W592-E609 HydrophobicContact CD2-CB 3.93Å; W592-E609 HydrophobicContact CD2-CG 3.32Å; W592-E609 HydrophobicContact CE3-CB 3.41Å; W592-E609 VanDerWaalsContact CE3-CB 3.41Å; W592-E609 HydrophobicContact CE3-CG 3.35Å; W592-E609 HydrophobicContact CG-CG 3.83Å; W592-E609 HydrophobicContact CH2-CB 4.34Å; W592-E609 HydrophobicContact CH2-CG 3.99Å; W592-E609 HydrophobicContact CZ2-CG 3.96Å; W592-E609 HydrophobicContact CZ3-CB 3.66Å; W592-E609 HydrophobicContact CZ3-CG 3.7Å; P601-E609 VanDerWaalsContact CB-CD 3.49Å; P601-E609 HydrophobicContact CB-CG 4.19Å; P601-E609 HydrophobicContact CG-CG 3.72Å; E609-Q632 HydrophobicContact CG-CG 4.17Å; E609-Q632 PolarHBondContact OE1-NE2 3.26Å
610	V	97.1	Very high	90.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	115	175.7	-169.6	0	0	0	0	109.9	L558 V577 L578 F579 I630 C631 C633	L558-V610 HydrophobicContact CD2-CG1 4.1Å; V577-V610 HydrophobicContact CG1-CG1 3.95Å; L578-V610 CarbonylContact O-C 3.59Å; L578-V610 WeakPolarHBondContact O-CA 3.46Å; F579-V610 HydrophobicContact CD1-CG1 4.29Å; F579-V610 HydrophobicContact CD1-CG2 3.69Å; F579-V610 HydrophobicContact CE1-CB 4.36Å; F579-V610 HydrophobicContact CE1-CG1 3.8Å; F579-V610 HydrophobicContact CE1-CG2 3.63Å; F579-V610 HydrophobicContact CE2-CG1 4.41Å; F579-V610 HydrophobicContact CZ-CG1 3.86Å; V610-I630 HydrophobicContact CB-CB 4.16Å; V610-I630 HydrophobicContact CG1-CB 4.02Å; V610-I630 HydrophobicContact CG1-CG1 4.33Å; V610-I630 HydrophobicContact CG1-CG2 4.41Å; V610-I630 WeakPolarHBondContact O-CA 3.43Å; V610-I630 VanDerWaalsContact O-CB 3.32Å; V610-I630 WeakPolarHBondContact O-CB 3.49Å; V610-I630 PolarHBondContact O-N 3.18Å; V610-C631 PolarHBondContact N-O 3.11Å; V610-C633 VanDerWaalsContact CG2-SG 3.6Å
611	V	96.6	Very high	90.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.1	-176.7	-178.4	0	0	0	0	111.2	V577 L578 L580 P591 W592 L613	V577-V611 CarbonylContact C-O 3.55Å; V577-V611 WeakPolarHBondContact CA-O 3.49Å; L578-V611 PolarHBondContact N-O 3.34Å; L578-V611 PolarHBondContact O-N 3.31Å; L580-V611 HydrophobicContact CD1-CG2 3.94Å; P591-V611 HydrophobicContact CB-CG1 4.37Å; W592-V611 HydrophobicContact CE3-CG2 3.59Å; W592-V611 HydrophobicContact CZ3-CG2 4.16Å; V611-L613 HydrophobicContact CG1-CD2 4.1Å; V611-L613 HydrophobicContact CG1-CG 4.4Å
612	G	95.2	Very high	90.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	136.4	167.5	0	0	0	0	0	111.7	C574 T628	C574-G612 VanDerWaalsContact SG-CA 3.57Å; G612-T628 PolarHBondContact N-O 3.17Å; G612-T628 PolarHBondContact O-N 3.07Å
613	L	92.6	Very high	89.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.2	174.5	-63.8	-180	0	0	0	111.5	H575 A576 L578 V611 Q617 L618 L621 G627	H575-L613 PolarHBondContact N-O 2.87Å; A576-L613 PolarHBondContact N-O 3.44Å; A576-L613 PolarHBondContact O-N 3.33Å; L578-L613 HydrophobicContact CD1-CB 4.46Å; L578-L613 HydrophobicContact CD1-CD1 3.57Å; L578-L613 HydrophobicContact CD1-CG 3.81Å; L578-L613 HydrophobicContact CD2-CD1 4.25Å; V611-L613 HydrophobicContact CG1-CD2 4.1Å; V611-L613 HydrophobicContact CG1-CG 4.4Å; L613-Q617 HydrophobicContact CD2-CB 4.02Å; L613-L618 HydrophobicContact CD1-CD2 3.57Å; L613-L618 HydrophobicContact CD1-CG 3.95Å; L613-L621 HydrophobicContact CD1-CD1 3.8Å; L613-L621 HydrophobicContact CD2-CD1 4.3Å; L613-L621 HydrophobicContact CD2-CD2 4.3Å; L613-G627 VanDerWaalsContact CD2-CA 3.41Å
614	T	89.6	Confident	89.3	Confident	30 Å²	30	38.6 Å²	38.6	18%	0.184	22%	0.224	C	C	.	.			trans	-77.4	158.5	156.3	63.5	0	0	0	0	110.1	Y616 Q617 L618	T614-Y616 PolarHBondContact O-N 3.33Å; T614-Y616 VanDerWaalsContact O-N 3.15Å; T614-Q617 PolarHBondContact O-N 2.9Å; T614-Q617 VanDerWaalsContact O-N 3.09Å; T614-Q617 WeakPolarHBondContact OG1-CG 3.33Å; T614-Q617 PolarHBondContact OG1-N 3.22Å; T614-Q617 PolarHBondContact OG1-OE1 2.87Å; T614-L618 PolarHBondContact O-N 3.44Å
615	T	82.8	Confident	89	Confident	8 Å²	8	39.9 Å²	39.9	5%	0.049	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.5	174.9	-39.5	0	0	0	0	112.4	V507 L544 H575 P619	V507-T615 HydrophobicContact CG2-CG2 4.28Å; L544-T615 HydrophobicContact CD2-CG2 3.93Å; L544-T615 VanDerWaalsContact CD2-O 3.26Å; L544-T615 WeakPolarHBondContact CD2-O 3.42Å; L544-T615 HydrophobicContact CG-CG2 4.06Å; H575-T615 PolarHBondContact ND1-N 3.44Å; H575-T615 PolarHBondContact ND1-OG1 2.98Å; T615-P619 WeakPolarHBondContact O-CD 3.44Å
616	Y	81.6	Confident	88.8	Confident	118 Å²	118	41.3 Å²	41.3	46%	0.463	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-30.3	176	-66.7	-68.5	0	0	0	113.3	L544 R547 T614 P619 M620	L544-Y616 HydrophobicContact CD2-CD1 3.85Å; L544-Y616 HydrophobicContact CD2-CE1 4.16Å; R547-Y616 PolarHBondContact NH2-OH 2.88Å; T614-Y616 PolarHBondContact O-N 3.33Å; T614-Y616 VanDerWaalsContact O-N 3.15Å; Y616-P619 WeakPolarHBondContact O-CD 3.3Å; Y616-P619 WeakPolarHBondContact O-CG 3.45Å; Y616-M620 WeakPolarHBondContact O-CG 3.43Å
617	Q	86.1	Confident	88.6	Confident	38 Å²	38	41.1 Å²	41.1	18%	0.178	23%	0.232	C	C	.	.	H	α-helix	trans	-72.1	-35.6	175.5	-77.5	160.2	-62.9	0	0	112.4	L613 T614 M620 L621 T628	L613-Q617 HydrophobicContact CD2-CB 4.02Å; T614-Q617 PolarHBondContact O-N 2.9Å; T614-Q617 VanDerWaalsContact O-N 3.09Å; T614-Q617 WeakPolarHBondContact OG1-CG 3.33Å; T614-Q617 PolarHBondContact OG1-N 3.22Å; T614-Q617 PolarHBondContact OG1-OE1 2.87Å; Q617-M620 CarbonylContact O-C 3.59Å; Q617-M620 WeakPolarHBondContact O-CA 3.39Å; Q617-M620 WeakPolarHBondContact O-CB 3.46Å; Q617-M620 PolarHBondContact O-N 3.22Å; Q617-L621 WeakPolarHBondContact O-CG 3.44Å; Q617-L621 PolarHBondContact O-N 3.02Å; Q617-T628 PolarHBondContact NE2-OG1 3.46Å
618	L	81.2	Confident	88.5	Confident	23 Å²	23	42.1 Å²	42.1	12%	0.12	24%	0.239	C	C	.	.	H	α-helix	trans	-47.2	-52.6	-180	-87.6	168.6	0	0	0	114.9	V507 D508 I511 Y585 L613 T614	V507-L618 HydrophobicContact CG1-CD1 3.75Å; D508-L618 HydrophobicContact CB-CD2 4.5Å; I511-L618 HydrophobicContact CD1-CD1 4.22Å; Y585-L618 VanDerWaalsContact OH-CD2 3.31Å; Y585-L618 WeakPolarHBondContact OH-CD2 3.34Å; L613-L618 HydrophobicContact CD1-CD2 3.57Å; L613-L618 HydrophobicContact CD1-CG 3.95Å; T614-L618 PolarHBondContact O-N 3.44Å
619	P	79.9	Confident	88.5	Confident	66 Å²	66	42.6 Å²	42.6	43%	0.429	24%	0.242	S	C	.	.	H	α-helix	trans	-69.8	-31.2	174.5	28.1	-35.8	0	0	0	113	L544 T615 Y616 L621 Q622	L544-P619 HydrophobicContact CD1-CG 4.37Å; T615-P619 WeakPolarHBondContact O-CD 3.44Å; Y616-P619 WeakPolarHBondContact O-CD 3.3Å; Y616-P619 WeakPolarHBondContact O-CG 3.45Å; P619-L621 VanDerWaalsContact C-N 3.27Å; P619-L621 PolarHBondContact O-N 2.88Å; P619-Q622 WeakPolarHBondContact O-CB 3.43Å; P619-Q622 PolarHBondContact O-N 2.84Å
620	M	85.1	Confident	88.4	Confident	106 Å²	106	42.6 Å²	42.6	52%	0.522	24%	0.243	S	C	.	.	H	α-helix	trans	-68.7	-21.9	178.9	-69.7	-175.4	135.2	0	0	113.4	Y616 Q617 Q622 A623 M625	Y616-M620 WeakPolarHBondContact O-CG 3.43Å; Q617-M620 CarbonylContact O-C 3.59Å; Q617-M620 WeakPolarHBondContact O-CA 3.39Å; Q617-M620 WeakPolarHBondContact O-CB 3.46Å; Q617-M620 PolarHBondContact O-N 3.22Å; M620-Q622 PolarHBondContact O-N 3.33Å; M620-A623 WeakPolarHBondContact O-CA 3.45Å; M620-A623 WeakPolarHBondContact O-CB 3.47Å; M620-A623 PolarHBondContact O-N 3.18Å; M620-M625 HydrophobicContact CB-CB 4Å; M620-M625 HydrophobicContact CB-CG 4.01Å; M620-M625 WeakPolarHBondContact O-CB 3.46Å; M620-M625 PolarHBondContact O-N 3.02Å
621	L	85.6	Confident	88.3	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.016	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-57.2	-30.8	171.2	-62.4	-177.9	0	0	0	112.6	Y585 T589 P591 L613 Q617 P619 A623 G624 M625	Y585-L621 HydrophobicContact CD1-CD1 4.02Å; Y585-L621 HydrophobicContact CE1-CD1 3.6Å; T589-L621 HydrophobicContact CG2-CB 4.05Å; T589-L621 VanDerWaalsContact CG2-O 3.31Å; T589-L621 WeakPolarHBondContact CG2-O 3.4Å; P591-L621 HydrophobicContact CB-CD1 4.04Å; P591-L621 HydrophobicContact CB-CD2 3.94Å; L613-L621 HydrophobicContact CD1-CD1 3.8Å; L613-L621 HydrophobicContact CD2-CD1 4.3Å; L613-L621 HydrophobicContact CD2-CD2 4.3Å; Q617-L621 WeakPolarHBondContact O-CG 3.44Å; Q617-L621 PolarHBondContact O-N 3.02Å; P619-L621 VanDerWaalsContact C-N 3.27Å; P619-L621 PolarHBondContact O-N 2.88Å; L621-A623 PolarHBondContact O-N 2.66Å; L621-G624 PolarHBondContact O-N 2.95Å; L621-M625 WeakPolarHBondContact CD2-O 3.36Å
622	Q	82.6	Confident	88.3	Confident	131 Å²	131	44.7 Å²	44.7	61%	0.612	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-73.6	-15.5	176	-56.9	-69.7	-33.1	0	0	112.6	G586 T589 P619 M620	G586-Q622 PolarHBondContact O-NE2 3.46Å; T589-Q622 HydrophobicContact CG2-CG 4.29Å; T589-Q622 VanDerWaalsContact CG2-NE2 3.29Å; P619-Q622 WeakPolarHBondContact O-CB 3.43Å; P619-Q622 PolarHBondContact O-N 2.84Å; M620-Q622 PolarHBondContact O-N 3.33Å
623	A	82.9	Confident	88.3	Confident	75 Å²	75	44.8 Å²	44.8	62%	0.62	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-95.7	12.4	173.1	0	0	0	0	0	112.8	M620 L621 M625	M620-A623 WeakPolarHBondContact O-CA 3.45Å; M620-A623 WeakPolarHBondContact O-CB 3.47Å; M620-A623 PolarHBondContact O-N 3.18Å; L621-A623 PolarHBondContact O-N 2.66Å; A623-M625 VanDerWaalsContact C-N 3.34Å
624	G	82.9	Confident	88.5	Confident	70 Å²	70	51.3 Å²	51.3	72%	0.722	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	4.6	179.5	0	0	0	0	0	115.2	L621	L621-G624 PolarHBondContact O-N 2.95Å
625	M	87.7	Confident	88.9	Confident	94 Å²	94	53.4 Å²	53.4	46%	0.463	29%	0.285	S	S	.	.			trans	-71.1	156.9	171.5	-59.7	-61.1	-65.7	0	0	111	M620 L621 A623	M620-M625 HydrophobicContact CB-CB 4Å; M620-M625 HydrophobicContact CB-CG 4.01Å; M620-M625 WeakPolarHBondContact O-CB 3.46Å; M620-M625 PolarHBondContact O-N 3.02Å; L621-M625 WeakPolarHBondContact CD2-O 3.36Å; A623-M625 VanDerWaalsContact C-N 3.34Å
626	H	91.4	Very high	89.7	Confident	75 Å²	75	53 Å²	53	35%	0.347	28%	0.283	S	S	.	.			trans	-103.8	167.1	175.4	61.2	74	0	0	0	112.2	N593	N593-H626 HydrophobicContact CB-CB 4.19Å; N593-H626 PolarHBondContact ND2-CD2 2.98Å; N593-H626 VanDerWaalsContact ND2-CD2 3.33Å; N593-H626 PolarHBondContact ND2-CE1 2.79Å; N593-H626 PolarHBondContact ND2-NE2 3.15Å
627	G	91.7	Very high	90.5	Very high	2 Å²	2	52 Å²	52	2%	0.021	28%	0.278	C	S	.	.			trans	-83	-174.7	170.3	0	0	0	0	0	113.4	P591 L613 C629	P591-G627 PolarHBondContact O-N 2.95Å; L613-G627 VanDerWaalsContact CD2-CA 3.41Å; G627-C629 PolarHBondContact O-N 3.18Å
628	T	93.9	Very high	91	Very high	44 Å²	44	50.1 Å²	50.1	27%	0.27	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	107.5	174.9	-53.3	0	0	0	0	109.4	A572 G612 Q617 I630	A572-T628 HydrophobicContact CB-CG2 3.82Å; G612-T628 PolarHBondContact N-O 3.17Å; G612-T628 PolarHBondContact O-N 3.07Å; Q617-T628 PolarHBondContact NE2-OG1 3.46Å; T628-I630 HydrophobicContact CG2-CD1 4.47Å; T628-I630 PolarHBondContact O-N 2.69Å
629	C	95.1	Very high	91.8	Very high	10 Å²	10	50.7 Å²	50.7	7%	0.068	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	123	-176.4	-58.9	0	0	0	0	110.7	K568 W592 N593 F596 G627	K568-C629 VanDerWaalsContact CE-O 3.28Å; K568-C629 WeakPolarHBondContact CE-O 3.37Å; K568-C629 PolarHBondContact NZ-O 2.9Å; W592-C629 HydrophobicContact CD2-CB 4.48Å; W592-C629 HydrophobicContact CE3-CB 3.98Å; W592-C629 HydrophobicContact CH2-CB 4.03Å; W592-C629 HydrophobicContact CZ3-CB 3.73Å; N593-C629 PolarHBondContact N-SG 2.86Å; F596-C629 HydrophobicContact CB-CB 4.05Å; F596-C629 HydrophobicContact CD1-CB 3.35Å; F596-C629 HydrophobicContact CD2-CB 3.98Å; F596-C629 HydrophobicContact CE1-CB 3.71Å; F596-C629 HydrophobicContact CE2-CB 4.28Å; F596-C629 HydrophobicContact CG-CB 3.52Å; F596-C629 HydrophobicContact CZ-CB 4.16Å; F596-C629 WeakPolarHBondContact CZ-O 3.5Å; G627-C629 PolarHBondContact O-N 3.18Å
630	I	95.4	Very high	92.6	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-62.1	-174.6	-52.3	-56.9	0	0	0	109.9	L558 F565 K568 L569 V610 T628	L558-I630 HydrophobicContact CD2-CG2 4.31Å; F565-I630 HydrophobicContact CB-CG2 3.83Å; F565-I630 HydrophobicContact CD1-CG2 3.82Å; F565-I630 HydrophobicContact CG-CG2 3.94Å; K568-I630 HydrophobicContact CD-CD1 4.42Å; K568-I630 HydrophobicContact CD-CG2 4.25Å; K568-I630 HydrophobicContact CG-CD1 4.21Å; K568-I630 PolarHBondContact NZ-O 3.2Å; L569-I630 HydrophobicContact CD2-CD1 3.93Å; L569-I630 HydrophobicContact CD2-CG1 4Å; V610-I630 HydrophobicContact CB-CB 4.16Å; V610-I630 HydrophobicContact CG1-CB 4.02Å; V610-I630 HydrophobicContact CG1-CG1 4.33Å; V610-I630 HydrophobicContact CG1-CG2 4.41Å; V610-I630 WeakPolarHBondContact O-CA 3.43Å; V610-I630 VanDerWaalsContact O-CB 3.32Å; V610-I630 WeakPolarHBondContact O-CB 3.49Å; V610-I630 PolarHBondContact O-N 3.18Å; T628-I630 HydrophobicContact CG2-CD1 4.47Å; T628-I630 PolarHBondContact O-N 2.69Å
631	C	95.5	Very high	93	Very high	11 Å²	11	47.5 Å²	47.5	7%	0.074	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	169.2	176.7	55.6	0	0	0	0	110.5	C560 F565 W592 V610	C560-C631 VanDerWaalsContact SG-SG 3.63Å; F565-C631 HydrophobicContact CE1-CB 4.01Å; F565-C631 HydrophobicContact CE2-CB 4.07Å; F565-C631 HydrophobicContact CZ-CB 3.71Å; W592-C631 WeakPolarHBondContact CH2-O 3.36Å; V610-C631 PolarHBondContact N-O 3.11Å
632	Q	95.4	Very high	93.3	Very high	33 Å²	33	53.8 Å²	53.8	15%	0.154	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139.1	154.5	-73.9	166	-56.7	0	0	106.9	W592 S599 L607 M608 E609	W592-Q632 HydrophobicContact CH2-CG 3.64Å; W592-Q632 HydrophobicContact CZ2-CG 3.59Å; S599-Q632 PolarHBondContact O-NE2 3.01Å; S599-Q632 PolarHBondContact O-OE1 3.28Å; L607-Q632 HydrophobicContact CD1-CB 4.41Å; M608-Q632 WeakPolarHBondContact O-CA 3.42Å; E609-Q632 HydrophobicContact CG-CG 4.17Å; E609-Q632 PolarHBondContact OE1-NE2 3.26Å
633	C	96.1	Very high	93.9	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.007	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	159.8	-176.4	64.6	0	0	0	0	114.6	C560 D561 L607 M608 V610	C560-C633 HydrophobicContact CB-CB 3.74Å; D561-C633 WeakPolarHBondContact OD2-CA 3.39Å; D561-C633 WeakPolarHBondContact OD2-CB 3.46Å; L607-C633 CarbonylContact C-O 3.23Å; L607-C633 WeakPolarHBondContact CA-O 3.45Å; M608-C633 PolarHBondContact N-O 2.88Å; M608-C633 PolarHBondContact O-N 3.09Å; M608-C633 VanDerWaalsContact O-N 3.08Å; V610-C633 VanDerWaalsContact CG2-SG 3.6Å
634	R	96.7	Very high	94.4	Very high	138 Å²	138	45 Å²	45	52%	0.521	22%	0.219	S	C	.	.	S	Bend	trans	-100.4	-21.6	175.7	-56.5	-162.6	-177.9	-82.5	3.7	114.2	W472 D561 D605 G606 L607	W472-R634 WeakPolarHBondContact CZ3-O 3.45Å; D561-R634 VanDerWaalsContact CG-N 3.32Å; D561-R634 WeakPolarHBondContact OD1-CA 3.24Å; D561-R634 PolarHBondContact OD1-N 2.88Å; D561-R634 PolarHBondContact OD2-N 3.36Å; D605-R634 PolarHBondContact O-NH1 2.88Å; G606-R634 WeakPolarHBondContact O-CG 3.33Å; G606-R634 PolarHBondContact O-NH1 2.8Å; L607-R634 HydrophobicContact CD2-CG 3.72Å
635	K	98	Very high	94.9	Very high	73 Å²	73	41.7 Å²	41.7	32%	0.317	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	134.6	171.3	179.5	156	-176.8	156.8	0	110.1	C560 D561 E661 I662 E663	C560-K635 WeakPolarHBondContact CA-O 3.29Å; D561-K635 PolarHBondContact N-O 2.9Å; D561-K635 PolarHBondContact OD1-N 3.12Å; K635-E661 VanDerWaalsContact CE-OE1 3.25Å; K635-E661 WeakPolarHBondContact CE-OE1 3.4Å; K635-E661 IonicContact NZ-OE1 3.13Å; K635-E661 PolarHBondContact NZ-OE1 3.31Å; K635-I662 WeakPolarHBondContact CA-O 3.49Å; K635-E663 HydrophobicContact CD-CB 4.35Å; K635-E663 IonicContact NZ-OE2 3.99Å; K635-E663 PolarHBondContact NZ-OE2 2.8Å
636	A	98.4	Very high	95.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.9	172.3	0	0	0	0	0	110.6	E559 F579 M608 E661 I662	E559-A636 CarbonylContact O-C 3.5Å; E559-A636 WeakPolarHBondContact O-CA 3.43Å; F579-A636 HydrophobicContact CD1-CB 4.03Å; F579-A636 HydrophobicContact CE1-CB 3.49Å; F579-A636 VanDerWaalsContact CE1-CB 3.49Å; F579-A636 HydrophobicContact CZ-CB 4.37Å; M608-A636 HydrophobicContact CE-CB 4.45Å; A636-E661 WeakPolarHBondContact O-CA 3.19Å; A636-I662 HydrophobicContact CB-CB 4.33Å; A636-I662 PolarHBondContact N-O 2.87Å; A636-I662 PolarHBondContact O-N 2.79Å
637	R	98.3	Very high	95.5	Very high	96 Å²	96	33.7 Å²	33.7	36%	0.362	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123.9	170.8	-179.4	-177.2	-176.3	-179.9	1.2	109.1	E559 V659 I660	E559-R637 HydrophobicContact CB-CB 4.25Å; E559-R637 PolarHBondContact N-O 2.81Å; E559-R637 PolarHBondContact O-N 2.78Å; R637-V659 HydrophobicContact CG-CG1 4.28Å; R637-I660 CarbonylContact C-O 3.5Å; R637-I660 WeakPolarHBondContact CA-O 3.36Å
638	I	98.1	Very high	95.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.3	-177.3	-54.5	151.2	0	0	0	107.4	F503 F505 V556 T557 L558 F579 T640 V659 I660 I662	F503-I638 HydrophobicContact CE1-CD1 3.63Å; F503-I638 HydrophobicContact CZ-CD1 4.33Å; F505-I638 HydrophobicContact CD1-CD1 4.32Å; F505-I638 HydrophobicContact CE1-CD1 3.83Å; F505-I638 HydrophobicContact CE1-CG1 4.2Å; F505-I638 HydrophobicContact CE1-CG2 3.87Å; F505-I638 HydrophobicContact CZ-CG2 4.09Å; V556-I638 HydrophobicContact CG1-CG2 3.49Å; V556-I638 VanDerWaalsContact CG1-CG2 3.49Å; T557-I638 WeakPolarHBondContact O-CA 3.24Å; L558-I638 HydrophobicContact CD1-CG1 3.95Å; F579-I638 HydrophobicContact CE2-CD1 3.88Å; F579-I638 HydrophobicContact CZ-CD1 3.86Å; F579-I638 HydrophobicContact CZ-CG1 4.17Å; I638-T640 HydrophobicContact CG2-CG2 4.31Å; I638-V659 CarbonylContact O-C 3.58Å; I638-V659 WeakPolarHBondContact O-CA 3.43Å; I638-I660 HydrophobicContact CB-CB 4.26Å; I638-I660 PolarHBondContact N-O 3.1Å; I638-I660 PolarHBondContact O-N 3.46Å; I638-I662 HydrophobicContact CD1-CD1 4.07Å
639	I	97.3	Very high	95.6	Very high	35 Å²	35	32.2 Å²	32.2	18%	0.179	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117.5	176.4	-49.4	178.7	0	0	0	108.7	N479 V556 T557 V659	N479-I639 WeakPolarHBondContact ND2-CG2 3.48Å; V556-I639 WeakPolarHBondContact CA-O 3.25Å; T557-I639 PolarHBondContact N-O 3.5Å; T557-I639 PolarHBondContact O-N 2.88Å; T557-I639 VanDerWaalsContact O-N 3.08Å; T557-I639 WeakPolarHBondContact OG1-CB 3.48Å; I639-V659 HydrophobicContact CG1-CG1 4.37Å; I639-V659 HydrophobicContact CG1-CG2 4.24Å; I639-V659 HydrophobicContact CG2-CG2 4.12Å
640	T	96	Very high	95.2	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.9	179	69.4	0	0	0	0	111.8	N479 W555 V556 I638 I644 M646 S658	N479-T640 PolarHBondContact ND2-O 3.39Å; W555-T640 CarbonylContact O-C 3.58Å; W555-T640 WeakPolarHBondContact O-CA 3.42Å; V556-T640 HydrophobicContact CG2-CG2 4.23Å; I638-T640 HydrophobicContact CG2-CG2 4.31Å; T640-I644 HydrophobicContact CG2-CD1 4.02Å; T640-M646 HydrophobicContact CG2-CE 3.72Å; T640-S658 PolarHBondContact N-O 2.76Å; T640-S658 PolarHBondContact O-N 2.82Å; T640-S658 PolarHBondContact OG1-N 2.9Å; T640-S658 PolarHBondContact OG1-O 2.96Å
641	K	94	Very high	95	Very high	105 Å²	105	35.7 Å²	35.7	46%	0.457	16%	0.16	S	C	.	.	S	Bend	trans	-104.6	7.5	-178.2	-57.7	-178.9	179.7	179.3	0	113.2	V482 W555	V482-K641 WeakPolarHBondContact CG1-O 3.46Å; V482-K641 HydrophobicContact CG2-CB 4.33Å; V482-K641 HydrophobicContact CG2-CG 4.44Å; W555-K641 PolarHBondContact O-N 2.81Å
642	R	92.5	Very high	94.9	Very high	134 Å²	134	35.6 Å²	35.6	51%	0.506	16%	0.159	S	C	.	.	S	Bend	trans	-155.4	163.3	179.1	-69.1	-163.5	173.9	-172.2	-5.3	109.7	D485 W555 I644	D485-R642 WeakPolarHBondContact OD2-CA 3.2Å; D485-R642 WeakPolarHBondContact OD2-CB 3.26Å; W555-R642 HydrophobicContact CG-CG 4.45Å; R642-I644 PolarHBondContact O-N 2.81Å
643	T	93.8	Very high	94.8	Very high	19 Å²	19	34.1 Å²	34.1	12%	0.117	15%	0.153	C	C	.	.			trans	-62.8	125.2	166.5	-71	0	0	0	0	109.9	D485 V487 R654 V655	D485-T643 WeakPolarHBondContact OD1-CB 3.35Å; D485-T643 PolarHBondContact OD1-N 3.04Å; D485-T643 PolarHBondContact OD1-OG1 2.74Å; D485-T643 PolarHBondContact OD2-N 2.61Å; V487-T643 HydrophobicContact CB-CG2 3.9Å; V487-T643 HydrophobicContact CG1-CG2 3.95Å; V487-T643 HydrophobicContact CG2-CG2 4.36Å; T643-R654 HydrophobicContact CG2-CB 3.84Å; T643-V655 CarbonylContact C-O 3.56Å; T643-V655 VanDerWaalsContact CA-O 3.23Å; T643-V655 WeakPolarHBondContact CA-O 3.36Å
644	I	93.4	Very high	94.7	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.4	-175.5	-75.4	176.1	0	0	0	109.6	F505 L552 W555 V556 T640 R642 M646 V655	F505-I644 HydrophobicContact CB-CG2 3.99Å; F505-I644 HydrophobicContact CD2-CG2 4.43Å; L552-I644 HydrophobicContact CD1-CD1 3.96Å; W555-I644 HydrophobicContact CB-CD1 4.29Å; V556-I644 HydrophobicContact CG2-CD1 3.4Å; V556-I644 VanDerWaalsContact CG2-CD1 3.4Å; T640-I644 HydrophobicContact CG2-CD1 4.02Å; R642-I644 PolarHBondContact O-N 2.81Å; I644-M646 HydrophobicContact CB-CE 3.93Å; I644-M646 HydrophobicContact CG2-CE 3.99Å; I644-M646 HydrophobicContact CG2-CG 4.27Å; I644-V655 PolarHBondContact N-O 3.4Å; I644-V655 PolarHBondContact O-N 2.77Å
645	P	94.3	Very high	94.7	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	134.2	170.1	29.5	-34.3	0	0	0	110.6	F505 G506 A509 H510 Y549 C653	F505-P645 WeakPolarHBondContact CA-O 3.44Å; G506-P645 PolarHBondContact N-O 2.94Å; G506-P645 VanDerWaalsContact N-O 3.11Å; A509-P645 HydrophobicContact CB-CB 4.25Å; A509-P645 WeakPolarHBondContact CB-O 3.5Å; H510-P645 HydrophobicContact CB-CB 4.37Å; H510-P645 HydrophobicContact CB-CG 4.04Å; Y549-P645 HydrophobicContact CE1-CG 3.81Å; Y549-P645 HydrophobicContact CE2-CG 4.49Å; P645-C653 WeakPolarHBondContact CA-O 3.48Å
646	M	96.3	Very high	94.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	148.3	-178.4	-52.5	-176.5	-171.9	0	0	110.4	V494 F503 S504 F505 T640 I644 A652 C653 V655 I660	V494-M646 HydrophobicContact CG1-CB 4.18Å; F503-M646 HydrophobicContact CE2-CB 4.06Å; F503-M646 HydrophobicContact CE2-SD 4.44Å; F503-M646 HydrophobicContact CZ-SD 4.28Å; S504-M646 CarbonylContact O-C 3.59Å; S504-M646 VanDerWaalsContact O-CA 3.32Å; S504-M646 WeakPolarHBondContact O-CA 3.32Å; F505-M646 HydrophobicContact CB-CB 4.48Å; F505-M646 HydrophobicContact CB-CG 3.89Å; T640-M646 HydrophobicContact CG2-CE 3.72Å; I644-M646 HydrophobicContact CB-CE 3.93Å; I644-M646 HydrophobicContact CG2-CE 3.99Å; I644-M646 HydrophobicContact CG2-CG 4.27Å; M646-A652 CarbonylContact O-C 3.54Å; M646-A652 WeakPolarHBondContact O-CA 3.21Å; M646-C653 PolarHBondContact N-O 3.24Å; M646-C653 PolarHBondContact O-N 2.94Å; M646-V655 HydrophobicContact CB-CG2 4.06Å; M646-V655 HydrophobicContact CE-CB 3.89Å; M646-V655 HydrophobicContact CE-CG1 4.33Å; M646-V655 HydrophobicContact CG-CB 4.25Å; M646-V655 HydrophobicContact CG-CG2 4.04Å; M646-V655 HydrophobicContact SD-CB 3.68Å; M646-V655 HydrophobicContact SD-CG1 4.14Å; M646-V655 HydrophobicContact SD-CG2 3.77Å; M646-I660 HydrophobicContact CE-CD1 3.72Å; M646-I660 HydrophobicContact SD-CD1 3.43Å; M646-I660 WeakPolarHBondContact SD-CD1 3.16Å
647	Q	94.5	Very high	94.4	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.4	174.2	66.4	156.4	-35.1	0	0	113.3	F503 S504 D508 A509 A512 E651 A652	F503-Q647 WeakPolarHBondContact CA-O 3.5Å; F503-Q647 WeakPolarHBondContact CD2-O 3.48Å; S504-Q647 PolarHBondContact N-O 2.94Å; S504-Q647 PolarHBondContact O-N 2.98Å; S504-Q647 WeakPolarHBondContact OG-CG 3.37Å; S504-Q647 PolarHBondContact OG-NE2 2.95Å; D508-Q647 PolarHBondContact OD2-NE2 2.88Å; A509-Q647 HydrophobicContact CB-CB 4.28Å; A509-Q647 HydrophobicContact CB-CG 4.02Å; A512-Q647 HydrophobicContact CB-CB 4.46Å; A512-Q647 HydrophobicContact CB-CG 4.41Å; Q647-E651 WeakPolarHBondContact CA-O 3.39Å; Q647-A652 HydrophobicContact CB-CB 3.75Å
648	V	95.5	Very high	94.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	123.7	170.2	175.1	0	0	0	0	107.6	V474 V494 L496 V498 I499 F503 G650 E651	V474-V648 HydrophobicContact CG2-CG2 4.47Å; V494-V648 HydrophobicContact CB-CG2 4.36Å; V494-V648 HydrophobicContact CG2-CG2 4.39Å; L496-V648 HydrophobicContact CB-CB 4.08Å; L496-V648 HydrophobicContact CB-CG1 3.82Å; L496-V648 HydrophobicContact CD1-CG1 4.37Å; V498-V648 WeakPolarHBondContact O-CG1 3.26Å; I499-V648 HydrophobicContact CG1-CG1 4.04Å; F503-V648 HydrophobicContact CB-CG2 4.45Å; F503-V648 HydrophobicContact CD2-CG2 3.71Å; V648-G650 PolarHBondContact O-N 3.02Å; V648-E651 PolarHBondContact N-O 3.31Å; V648-E651 PolarHBondContact O-N 3.33Å
649	D	93.1	Very high	94.3	Very high	15 Å²	15	26.6 Å²	26.6	8%	0.08	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	28	176	-63.5	-13.1	0	0	0	116.1	N500 N501 Y502	N500-D649 WeakPolarHBondContact CA-OD2 3.33Å; N500-D649 VanDerWaalsContact CB-OD2 3.3Å; N500-D649 WeakPolarHBondContact CB-OD2 3.41Å; N500-D649 PolarHBondContact N-OD1 2.83Å; N500-D649 PolarHBondContact N-OD2 3.48Å; N500-D649 PolarHBondContact ND2-OD2 3.49Å; N501-D649 WeakPolarHBondContact CA-OD1 3.4Å; N501-D649 WeakPolarHBondContact CB-OD1 3.48Å; N501-D649 PolarHBondContact N-OD1 3.36Å; Y502-D649 PolarHBondContact N-OD1 3.34Å; Y502-D649 PolarHBondContact O-N 3.11Å
650	G	87.6	Confident	94.3	Very high	28 Å²	28	25 Å²	25	29%	0.289	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.4	-4.7	-178.5	0	0	0	0	0	115.6	V648	V648-G650 PolarHBondContact O-N 3.02Å
651	E	90.6	Very high	94.4	Very high	58 Å²	58	26.7 Å²	26.7	27%	0.271	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.4	179.5	-63.1	-61.8	146.3	0	0	110.2	P495 L496 H516 R519 Q647 V648	P495-E651 HydrophobicContact CB-CB 4.39Å; L496-E651 HydrophobicContact CD1-CB 4.2Å; L496-E651 HydrophobicContact CD1-CG 4.25Å; H516-E651 IonicContact CD2-OE2 3.3Å; H516-E651 PolarHBondContact CD2-OE2 3.16Å; H516-E651 IonicContact NE2-OE2 2.7Å; H516-E651 PolarHBondContact NE2-OE2 3.21Å; H516-E651 VanDerWaalsContact NE2-OE2 3.16Å; R519-E651 IonicContact CZ-OE1 3.84Å; R519-E651 IonicContact NH1-OE1 3.94Å; R519-E651 IonicContact NH2-OE1 2.71Å; R519-E651 PolarHBondContact NH2-OE1 3.23Å; R519-E651 IonicContact NH2-OE2 3.98Å; R519-E651 PolarHBondContact NH2-OE2 2.88Å; Q647-E651 WeakPolarHBondContact CA-O 3.39Å; V648-E651 PolarHBondContact N-O 3.31Å; V648-E651 PolarHBondContact O-N 3.33Å
652	A	92.8	Very high	94.7	Very high	8 Å²	8	21.7 Å²	21.7	7%	0.066	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	152.3	-161.3	0	0	0	0	0	114.1	A512 L513 M646 Q647	A512-A652 HydrophobicContact CB-CB 3.93Å; L513-A652 HydrophobicContact CB-CB 4.03Å; M646-A652 CarbonylContact O-C 3.54Å; M646-A652 WeakPolarHBondContact O-CA 3.21Å; Q647-A652 HydrophobicContact CB-CB 3.75Å
653	C	94.4	Very high	94.9	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.02	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	170.4	169.4	70.1	0	0	0	0	112.8	K491 P495 P645 M646 V655	K491-C653 HydrophobicContact CD-CB 3.87Å; P495-C653 HydrophobicContact CG-CB 4.17Å; P645-C653 WeakPolarHBondContact CA-O 3.48Å; M646-C653 PolarHBondContact N-O 3.24Å; M646-C653 PolarHBondContact O-N 2.94Å; C653-V655 VanDerWaalsContact SG-CG2 3.58Å
654	R	94.3	Very high	95.1	Very high	57 Å²	57	21 Å²	21	22%	0.215	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	124.3	166.1	-61.1	-176.7	-173.7	-78.6	-5.5	108.8	S490 K491 L513 T643	S490-R654 WeakPolarHBondContact CA-O 3.5Å; K491-R654 PolarHBondContact N-O 3.08Å; L513-R654 HydrophobicContact CD2-CG 3.66Å; T643-R654 HydrophobicContact CG2-CB 3.84Å
655	V	95.1	Very high	95.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.8	178.8	-175.6	0	0	0	0	109.4	V476 K491 V494 T643 I644 M646 C653	V476-V655 HydrophobicContact CG1-CG1 4.12Å; K491-V655 WeakPolarHBondContact O-CA 3.23Å; V494-V655 HydrophobicContact CG1-CG2 3.91Å; T643-V655 CarbonylContact C-O 3.56Å; T643-V655 VanDerWaalsContact CA-O 3.23Å; T643-V655 WeakPolarHBondContact CA-O 3.36Å; I644-V655 PolarHBondContact N-O 3.4Å; I644-V655 PolarHBondContact O-N 2.77Å; M646-V655 HydrophobicContact CB-CG2 4.06Å; M646-V655 HydrophobicContact CE-CB 3.89Å; M646-V655 HydrophobicContact CE-CG1 4.33Å; M646-V655 HydrophobicContact CG-CB 4.25Å; M646-V655 HydrophobicContact CG-CG2 4.04Å; M646-V655 HydrophobicContact SD-CB 3.68Å; M646-V655 HydrophobicContact SD-CG1 4.14Å; M646-V655 HydrophobicContact SD-CG2 3.77Å; C653-V655 VanDerWaalsContact SG-CG2 3.58Å
656	K	94.9	Very high	95.3	Very high	63 Å²	63	25.7 Å²	25.7	27%	0.274	13%	0.134	S	C	.	.			trans	-60.4	166.4	179.2	-72.8	-165.8	174.8	-163.4	0	113.2	D484 S490 K491 S658	D484-K656 IonicContact OD1-NZ 2.63Å; D484-K656 IonicContact OD2-NZ 3.1Å; D484-K656 PolarHBondContact OD2-NZ 3.06Å; S490-K656 WeakPolarHBondContact OG-CE 3.41Å; K491-K656 PolarHBondContact O-N 2.71Å; K656-S658 WeakPolarHBondContact O-CB 3.41Å; K656-S658 PolarHBondContact O-N 2.91Å; K656-S658 PolarHBondContact O-OG 3.02Å
657	P	95.6	Very high	95.3	Very high	8 Å²	8	29.7 Å²	29.7	5%	0.052	15%	0.151	C	C	.	.	S	Bend	trans	-45.5	117.4	168.2	-27.2	34	0	0	0	111.5	N479 V482	N479-P657 HydrophobicContact CB-CB 4.21Å; N479-P657 PolarHBondContact N-O 3.39Å; V482-P657 HydrophobicContact CB-CB 4.3Å; V482-P657 HydrophobicContact CG1-CB 4.32Å; V482-P657 HydrophobicContact CG1-CG 4.35Å
658	S	96.4	Very high	95.3	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.014	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	148.1	-167.7	-60.9	0	0	0	0	112.7	T477 T640 K656	T477-S658 CarbonylContact O-C 3.54Å; T477-S658 WeakPolarHBondContact O-CA 3.32Å; T477-S658 VanDerWaalsContact O-CB 3.29Å; T477-S658 WeakPolarHBondContact O-CB 3.38Å; T640-S658 PolarHBondContact N-O 2.76Å; T640-S658 PolarHBondContact O-N 2.82Å; T640-S658 PolarHBondContact OG1-N 2.9Å; T640-S658 PolarHBondContact OG1-O 2.96Å; K656-S658 WeakPolarHBondContact O-CB 3.41Å; K656-S658 PolarHBondContact O-N 2.91Å; K656-S658 PolarHBondContact O-OG 3.02Å
659	V	97.6	Very high	95.4	Very high	20 Å²	20	32.8 Å²	32.8	12%	0.121	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.8	156.4	-178	0	0	0	0	107.8	T477 R637 I638 I639	T477-V659 PolarHBondContact N-O 3.11Å; T477-V659 PolarHBondContact O-N 2.99Å; T477-V659 VanDerWaalsContact O-O 3.04Å; T477-V659 PolarHBondContact OG1-O 3.12Å; T477-V659 VanDerWaalsContact OG1-O 3.09Å; R637-V659 HydrophobicContact CG-CG1 4.28Å; I638-V659 CarbonylContact O-C 3.58Å; I638-V659 WeakPolarHBondContact O-CA 3.43Å; I639-V659 HydrophobicContact CG1-CG1 4.37Å; I639-V659 HydrophobicContact CG1-CG2 4.24Å; I639-V659 HydrophobicContact CG2-CG2 4.12Å
660	I	98.4	Very high	95.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.5	-179.6	-51	170.1	0	0	0	107.9	V474 K475 V476 F503 R637 I638 M646 I662	V474-I660 HydrophobicContact CG1-CG2 3.88Å; K475-I660 CarbonylContact O-C 3.59Å; K475-I660 WeakPolarHBondContact O-CA 3.32Å; V476-I660 HydrophobicContact CG1-CG1 4.37Å; V476-I660 HydrophobicContact CG2-CG1 4.31Å; V476-I660 HydrophobicContact CG2-CG2 4.32Å; F503-I660 HydrophobicContact CZ-CD1 4.31Å; R637-I660 CarbonylContact C-O 3.5Å; R637-I660 WeakPolarHBondContact CA-O 3.36Å; I638-I660 HydrophobicContact CB-CB 4.26Å; I638-I660 PolarHBondContact N-O 3.1Å; I638-I660 PolarHBondContact O-N 3.46Å; M646-I660 HydrophobicContact CE-CD1 3.72Å; M646-I660 HydrophobicContact SD-CD1 3.43Å; M646-I660 WeakPolarHBondContact SD-CD1 3.16Å; I660-I662 HydrophobicContact CG2-CG1 4.3Å
661	E	98.3	Very high	95.9	Very high	36 Å²	36	30.8 Å²	30.8	17%	0.168	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.1	170.6	-63.4	-178.6	84	0	0	109.8	K475 K635 A636	K475-E661 HydrophobicContact CB-CB 4.38Å; K475-E661 WeakPolarHBondContact CD-OE2 3.33Å; K475-E661 WeakPolarHBondContact CE-OE2 3.27Å; K475-E661 PolarHBondContact N-O 3.03Å; K475-E661 IonicContact NZ-OE2 3.61Å; K475-E661 PolarHBondContact NZ-OE2 2.77Å; K475-E661 PolarHBondContact O-N 3.47Å; K635-E661 VanDerWaalsContact CE-OE1 3.25Å; K635-E661 WeakPolarHBondContact CE-OE1 3.4Å; K635-E661 IonicContact NZ-OE1 3.13Å; K635-E661 PolarHBondContact NZ-OE1 3.31Å; A636-E661 WeakPolarHBondContact O-CA 3.19Å
662	I	98.6	Very high	96	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.8	174	-48.3	177.9	0	0	0	108.5	W472 R473 V474 I499 F503 F579 M608 K635 A636 I638 I660	W472-I662 HydrophobicContact CB-CG2 3.91Å; R473-I662 WeakPolarHBondContact O-CA 3.14Å; V474-I662 HydrophobicContact CG2-CG1 4.43Å; I499-I662 HydrophobicContact CD1-CD1 4.39Å; I499-I662 HydrophobicContact CD1-CG2 3.81Å; F503-I662 HydrophobicContact CD1-CD1 3.5Å; F503-I662 HydrophobicContact CE1-CD1 3.83Å; F503-I662 HydrophobicContact CG-CD1 4.19Å; F579-I662 HydrophobicContact CD1-CD1 4.36Å; F579-I662 HydrophobicContact CG-CD1 4.25Å; M608-I662 HydrophobicContact CE-CB 4.24Å; M608-I662 HydrophobicContact CE-CG2 3.79Å; M608-I662 HydrophobicContact SD-CG2 3.65Å; K635-I662 WeakPolarHBondContact CA-O 3.49Å; A636-I662 HydrophobicContact CB-CB 4.33Å; A636-I662 PolarHBondContact N-O 2.87Å; A636-I662 PolarHBondContact O-N 2.79Å; I638-I662 HydrophobicContact CD1-CD1 4.07Å; I660-I662 HydrophobicContact CG2-CG1 4.3Å
663	E	97.8	Very high	95.8	Very high	61 Å²	61	31.3 Å²	31.3	29%	0.285	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	158.1	-174.6	63.6	-169.4	-168.2	0	0	111.3	W472 R473 K635 L665	W472-E663 CarbonylContact C-O 3.55Å; W472-E663 WeakPolarHBondContact CA-O 3.33Å; R473-E663 HydrophobicContact CB-CG 4.29Å; R473-E663 PolarHBondContact N-O 3.09Å; R473-E663 PolarHBondContact O-N 2.81Å; K635-E663 HydrophobicContact CD-CB 4.35Å; K635-E663 IonicContact NZ-OE2 3.99Å; K635-E663 PolarHBondContact NZ-OE2 2.8Å; E663-L665 PolarHBondContact O-N 3.02Å
664	L	97.7	Very high	94.9	Very high	78 Å²	78	34.8 Å²	34.8	41%	0.408	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	127.7	-174.9	-175.3	64.4	0	0	0	111.5	D470 R471 W472	D470-L664 HydrophobicContact CB-CD1 3.87Å; D470-L664 WeakPolarHBondContact OD1-CD1 3.16Å; R471-L664 WeakPolarHBondContact O-CD1 3.49Å; W472-L664 HydrophobicContact CD2-CD1 4.29Å; W472-L664 HydrophobicContact CE3-CB 4.05Å; W472-L664 HydrophobicContact CE3-CD1 4.33Å; W472-L664 HydrophobicContact CH2-CB 4.23Å; W472-L664 HydrophobicContact CH2-CD1 4.12Å; W472-L664 HydrophobicContact CZ2-CD1 4.06Å; W472-L664 HydrophobicContact CZ3-CB 3.72Å; W472-L664 HydrophobicContact CZ3-CD1 4.23Å
665	L	96.5	Very high	93.3	Very high	47 Å²	47	41.6 Å²	41.6	25%	0.246	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-61.9	178.6	175.2	65.1	0	0	0	111.8	R471 R473 V498 E663	R471-L665 WeakPolarHBondContact O-CA 3.48Å; R471-L665 VanDerWaalsContact O-CB 3.26Å; R471-L665 WeakPolarHBondContact O-CB 3.17Å; R471-L665 PolarHBondContact O-N 3.33Å; R473-L665 HydrophobicContact CB-CB 4.16Å; R473-L665 HydrophobicContact CB-CD1 4.46Å; V498-L665 HydrophobicContact CB-CD2 4.36Å; V498-L665 HydrophobicContact CG1-CD2 3.7Å; V498-L665 HydrophobicContact CG2-CD2 3.67Å; E663-L665 PolarHBondContact O-N 3.02Å
666	N	95.3	Very high	90.9	Very high	55 Å²	55	50.8 Å²	50.8	29%	0.294	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	173.9	179.7	62.2	22.5	0	0	0	110	D416 R471	D416-N666 PolarHBondContact OD1-ND2 2.82Å; R471-N666 PolarHBondContact N-O 3.41Å; R471-N666 PolarHBondContact NH1-ND2 2.94Å; R471-N666 PolarHBondContact NH1-OD1 3.41Å; R471-N666 PolarHBondContact O-N 3.47Å
667	K	95.9	Very high	88.5	Confident	83 Å²	83	51.4 Å²	51.4	36%	0.361	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.1	165.1	-70.1	177.9	-166	-78	0	109.1	L468 M469 D470 D604	L468-K667 HydrophobicContact CB-CB 4.37Å; L468-K667 HydrophobicContact CB-CD 4.25Å; L468-K667 HydrophobicContact CD1-CD 3.9Å; L468-K667 HydrophobicContact CD2-CB 4.24Å; M469-K667 CarbonylContact O-C 3.59Å; M469-K667 VanDerWaalsContact O-CA 3.27Å; M469-K667 WeakPolarHBondContact O-CA 3.3Å; D470-K667 VanDerWaalsContact OD1-CE 3.28Å; D470-K667 WeakPolarHBondContact OD1-CE 3.36Å; D470-K667 WeakPolarHBondContact OD1-CG 3.47Å; D470-K667 IonicContact OD1-NZ 2.84Å; D470-K667 PolarHBondContact OD1-NZ 3.18Å; D470-K667 IonicContact OD2-NZ 2.88Å; D470-K667 PolarHBondContact OD2-NZ 2.81Å; D604-K667 VanDerWaalsContact C-NZ 3.34Å; D604-K667 PolarHBondContact O-NZ 3.2Å
668	A	96	Very high	85.7	Confident	11 Å²	11	62.3 Å²	62.3	9%	0.091	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	151.3	170.5	0	0	0	0	0	111.2	L412 L468 M469 R471 M670	L412-A668 HydrophobicContact CD2-CB 3.83Å; L468-A668 CarbonylContact C-O 3.52Å; L468-A668 WeakPolarHBondContact CA-O 3.37Å; M469-A668 PolarHBondContact N-O 2.67Å; M469-A668 PolarHBondContact O-N 2.75Å; R471-A668 HydrophobicContact CG-CB 4.47Å; A668-M670 HydrophobicContact CB-SD 4.2Å
669	L	95.8	Very high	83	Confident	56 Å²	56	65.1 Å²	65.1	29%	0.293	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	115.3	173.5	-163.9	67.6	0	0	0	109.8	A425 A427 V428 C466 L468	A425-L669 WeakPolarHBondContact O-CD2 3.37Å; A427-L669 WeakPolarHBondContact CA-O 3.38Å; A427-L669 HydrophobicContact CB-CB 4.5Å; A427-L669 HydrophobicContact CB-CD2 3.84Å; A427-L669 HydrophobicContact CB-CG 3.88Å; V428-L669 PolarHBondContact N-O 2.89Å; C466-L669 HydrophobicContact CB-CD1 4.01Å; C466-L669 HydrophobicContact CB-CD2 4.49Å; C466-L669 HydrophobicContact CB-CG 4.28Å; L468-L669 HydrophobicContact CD2-CD1 3.9Å
670	M	96.4	Very high	80.6	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	155.1	-175.6	-56.9	-56.8	-69.5	0	0	111	V408 L412 V428 L439 L443 C466 V467 M469 A668	V408-M670 HydrophobicContact CG1-CE 3.97Å; L412-M670 HydrophobicContact CD1-CE 4.49Å; L412-M670 HydrophobicContact CD1-SD 4.23Å; L412-M670 HydrophobicContact CD2-SD 3.97Å; V428-M670 HydrophobicContact CB-CE 4.22Å; V428-M670 HydrophobicContact CB-SD 4.07Å; V428-M670 HydrophobicContact CG1-CE 4.41Å; V428-M670 CarbonylContact O-C 3.56Å; V428-M670 WeakPolarHBondContact O-CA 3.42Å; L439-M670 HydrophobicContact CD2-CE 4.12Å; L443-M670 HydrophobicContact CD1-CB 4.04Å; L443-M670 HydrophobicContact CD1-CE 3.75Å; L443-M670 HydrophobicContact CD2-CB 3.86Å; C466-M670 CarbonylContact C-O 3.26Å; C466-M670 WeakPolarHBondContact CA-O 3.45Å; V467-M670 HydrophobicContact CG2-CB 4.09Å; V467-M670 PolarHBondContact N-O 2.87Å; V467-M670 PolarHBondContact O-N 3.38Å; M469-M670 HydrophobicContact CB-CG 3.56Å; M469-M670 HydrophobicContact CE-CG 4.45Å; M469-M670 HydrophobicContact CE-SD 4.36Å; M469-M670 HydrophobicContact CG-CG 4.38Å; M469-M670 HydrophobicContact SD-CE 4.5Å; M469-M670 HydrophobicContact SD-CG 3.99Å; M469-M670 HydrophobicContact SD-SD 4.47Å; A668-M670 HydrophobicContact CB-SD 4.2Å
671	L	95.4	Very high	78.4	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120	173.6	-65.4	176.9	0	0	0	110.5	R398 A427 V428 W445 I461 S464 Q465	R398-L671 HydrophobicContact CB-CD1 4.11Å; R398-L671 HydrophobicContact CG-CD1 4.15Å; A427-L671 HydrophobicContact CB-CD1 4.44Å; A427-L671 HydrophobicContact CB-CD2 3.43Å; A427-L671 VanDerWaalsContact CB-CD2 3.43Å; A427-L671 HydrophobicContact CB-CG 3.73Å; V428-L671 PolarHBondContact O-N 3.15Å; W445-L671 PolarHBondContact NE1-O 2.86Å; I461-L671 HydrophobicContact CD1-CD1 4.34Å; I461-L671 HydrophobicContact CG2-CD1 4.2Å; S464-L671 WeakPolarHBondContact OG-CD2 3.32Å; Q465-L671 WeakPolarHBondContact O-CA 3.43Å
672	S	93	Very high	75.9	Confident	28 Å²	28	79.8 Å²	79.8	20%	0.196	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	137.9	176.8	-174.8	0	0	0	0	111.9	S464 Q465 R674	S464-S672 VanDerWaalsContact CB-O 3.29Å; S464-S672 WeakPolarHBondContact CB-O 3.46Å; Q465-S672 PolarHBondContact N-O 3.18Å; Q465-S672 VanDerWaalsContact N-O 3.1Å; Q465-S672 PolarHBondContact O-N 3.47Å; S672-R674 PolarHBondContact O-N 2.93Å
673	K	88.9	Confident	73.7	Confident	50 Å²	50	82.4 Å²	82.4	22%	0.217	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-75.9	121.1	-178.4	-176.7	162	177.9	156.2	0	111	L443 W445 E460 K675	L443-K673 PolarHBondContact O-N 2.69Å; W445-K673 HydrophobicContact CD2-CB 3.96Å; W445-K673 HydrophobicContact CD2-CD 4.29Å; W445-K673 HydrophobicContact CE3-CB 4.13Å; W445-K673 HydrophobicContact CE3-CD 3.71Å; W445-K673 HydrophobicContact CE3-CG 4.32Å; W445-K673 HydrophobicContact CG-CB 4.45Å; W445-K673 HydrophobicContact CH2-CB 4.2Å; W445-K673 HydrophobicContact CH2-CG 4.45Å; W445-K673 HydrophobicContact CZ2-CB 4.06Å; W445-K673 HydrophobicContact CZ3-CB 4.25Å; W445-K673 HydrophobicContact CZ3-CD 3.89Å; W445-K673 HydrophobicContact CZ3-CG 4.23Å; E460-K673 WeakPolarHBondContact OE1-CE 3.44Å; E460-K673 IonicContact OE1-NZ 3.67Å; E460-K673 PolarHBondContact OE1-NZ 3.4Å; E460-K673 WeakPolarHBondContact OE2-CE 3.38Å; E460-K673 IonicContact OE2-NZ 3.9Å; E460-K673 PolarHBondContact OE2-NZ 3.06Å; K673-K675 PolarHBondContact O-N 2.91Å
674	R	75.4	Confident	71.4	Confident	75 Å²	75	83.5 Å²	83.5	28%	0.283	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-57.7	126.1	-179.5	-73.5	-175.1	170.8	-140.8	-9.6	112.9	M463 S672 R678 G679 D680	M463-R674 VanDerWaalsContact O-CD 3.25Å; M463-R674 WeakPolarHBondContact O-CD 3.49Å; M463-R674 PolarHBondContact O-NE 2.85Å; S672-R674 PolarHBondContact O-N 2.93Å; R674-R678 PolarHBondContact NH1-O 2.85Å; R674-G679 PolarHBondContact NH1-O 2.8Å; R674-D680 PolarHBondContact NH2-O 3.04Å
675	K	59.7	Low	69.2	Low	200 Å²	200	85.5 Å²	85.5	87%	0.87	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-66.4	141.7	155.7	-63.5	177.1	-177.1	175	0	108.1	K673 G677	K673-K675 PolarHBondContact O-N 2.91Å; K675-G677 PolarHBondContact O-N 2.77Å
676	H	46	Very low	67.4	Low	193 Å²	193	84.6 Å²	84.6	89%	0.894	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	127.4	-174.9	-73.1	34.5	0	0	0	110.9
677	G	44	Very low	66	Low	77 Å²	77	86 Å²	86	79%	0.794	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	122.7	9.8	161.4	0	0	0	0	0	119.5	K675	K675-G677 PolarHBondContact O-N 2.77Å
678	R	35.8	Very low	64.9	Low	236 Å²	236	87.5 Å²	87.5	89%	0.891	46%	0.459	S	S	*	.			trans	-141.6	145.9	174.3	-69.2	-169.1	178.9	-173.1	-0.6	115.2	R674	R674-R678 PolarHBondContact NH1-O 2.85Å
679	G	41.5	Very low	64	Low	62 Å²	62	88.9 Å²	88.9	64%	0.639	46%	0.464	S	S	*	.			trans	78.4	146.3	164.1	0	0	0	0	0	116.4	R674	R674-G679 PolarHBondContact NH1-O 2.8Å
680	D	47.2	Very low	63.4	Low	152 Å²	152	92.4 Å²	92.4	81%	0.813	48%	0.479	S	S	*	.			trans	-72.8	167.8	160.3	-76	-60.4	0	0	0	111.2	R674 Q682	R674-D680 PolarHBondContact NH2-O 3.04Å; D680-Q682 PolarHBondContact O-N 3.14Å
681	V	50.7	Low	63	Low	46 Å²	46	92.4 Å²	92.4	28%	0.279	48%	0.479	S	S	.	.			trans	-72.8	115	170.2	178.4	0	0	0	0	107.6	I345 M463 V683	I345-V681 HydrophobicContact CD1-CG1 4.41Å; M463-V681 HydrophobicContact CB-CG2 4.4Å; M463-V681 HydrophobicContact CG-CG2 4.47Å; V681-V683 HydrophobicContact CG1-CG2 4.36Å; V681-V683 PolarHBondContact O-N 3.32Å
682	Q	47	Very low	62.6	Low	166 Å²	166	95.9 Å²	95.9	78%	0.776	50%	0.495	S	S	*	.			trans	-66.6	92.1	163.5	-78.6	-179.4	-35.5	0	0	108.4	D680	D680-Q682 PolarHBondContact O-N 3.14Å
683	V	51.3	Low	62.5	Low	55 Å²	55	94.6 Å²	94.6	33%	0.333	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-69.8	127	151.4	179.5	0	0	0	0	105.6	P342 I345 V681	P342-V683 HydrophobicContact CB-CG1 4.04Å; P342-V683 WeakPolarHBondContact O-CG1 3.28Å; I345-V683 HydrophobicContact CD1-CG2 4.37Å; V681-V683 HydrophobicContact CG1-CG2 4.36Å; V681-V683 PolarHBondContact O-N 3.32Å
684	N	50.5	Low	62.5	Low	84 Å²	84	92.3 Å²	92.3	45%	0.449	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-65.6	137.4	172.9	-74.3	3.2	0	0	0	108.4	L686	N684-L686 PolarHBondContact O-N 3.32Å
685	P	51.8	Low	63.2	Low	119 Å²	119	90.7 Å²	90.7	77%	0.773	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-54.9	136.7	166.6	26.1	-33.5	0	0	0	108.5	E687	P685-E687 PolarHBondContact O-N 2.86Å
686	L	58.7	Low	64.5	Low	29 Å²	29	81.2 Å²	81.2	15%	0.152	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-60.9	133.1	-169.5	-72	169.3	0	0	0	110.9	P342 P395 N684 Q726	P342-L686 HydrophobicContact CB-CD1 4.39Å; P395-L686 HydrophobicContact CB-CD2 4.32Å; N684-L686 PolarHBondContact O-N 3.32Å; L686-Q726 HydrophobicContact CD1-CB 4.12Å; L686-Q726 HydrophobicContact CD1-CG 4.31Å; L686-Q726 VanDerWaalsContact CD1-OE1 3.24Å
687	E	64.1	Low	66.5	Low	85 Å²	85	73 Å²	73	40%	0.397	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-67.4	142.3	-169.4	-68.6	-177	-174.8	0	0	111.9	P424 P685 S725	P424-E687 VanDerWaalsContact CB-OE1 3.29Å; P424-E687 WeakPolarHBondContact CB-OE1 3.17Å; P424-E687 WeakPolarHBondContact CD-OE1 3.36Å; P424-E687 WeakPolarHBondContact CD-OE2 3.06Å; P424-E687 WeakPolarHBondContact CG-OE1 3.43Å; P685-E687 PolarHBondContact O-N 2.86Å; E687-S725 VanDerWaalsContact O-CB 3.23Å; E687-S725 WeakPolarHBondContact O-CB 3.34Å; E687-S725 PolarHBondContact O-N 3Å; E687-S725 PolarHBondContact O-OG 3.42Å
688	K	74.1	Confident	68.4	Low	113 Å²	113	71 Å²	71	49%	0.491	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	130.9	170.1	-66.5	-172.2	174.9	-174.8	0	109.8	E722 I723 E724	K688-E722 HydrophobicContact CB-CG 3.79Å; K688-E722 HydrophobicContact CD-CG 3.78Å; K688-E722 WeakPolarHBondContact CD-OE1 3.34Å; K688-E722 WeakPolarHBondContact CD-OE2 3.41Å; K688-E722 HydrophobicContact CG-CG 4.39Å; K688-E722 IonicContact NZ-OE2 2.75Å; K688-E722 PolarHBondContact NZ-OE2 2.96Å; K688-I723 CarbonylContact C-O 3.53Å; K688-I723 WeakPolarHBondContact CA-O 3.38Å; K688-E724 HydrophobicContact CG-CG 4.23Å
689	M	76.7	Confident	70.6	Confident	40 Å²	40	66 Å²	66	20%	0.197	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.2	176.3	-57.1	-177.6	71.2	0	0	109.1	L691 E722 I723 I777 C778 I782	M689-L691 HydrophobicContact CB-CD1 4.42Å; M689-L691 HydrophobicContact CB-CD2 4.4Å; M689-L691 HydrophobicContact CB-CG 4.14Å; M689-L691 HydrophobicContact CE-CD2 4.31Å; M689-E722 WeakPolarHBondContact O-CA 3.45Å; M689-I723 PolarHBondContact N-O 3.12Å; M689-I723 PolarHBondContact O-N 2.96Å; M689-I777 HydrophobicContact SD-CG2 4.32Å; M689-C778 HydrophobicContact SD-CB 4.22Å; M689-I782 WeakPolarHBondContact CE-O 3.21Å
690	Q	83.5	Confident	72.7	Confident	131 Å²	131	64.7 Å²	64.7	61%	0.612	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	119.6	165.6	-68.1	-170.7	2.9	0	0	109	I721 E722	Q690-I721 WeakPolarHBondContact CA-O 3.34Å; Q690-E722 HydrophobicContact CG-CG 4.39Å
691	L	87.4	Confident	74.5	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.2	-171.6	-65.8	175.5	0	0	0	111.4	M689 Q720 I721 I723 I777 A781 I782 L785	M689-L691 HydrophobicContact CB-CD1 4.42Å; M689-L691 HydrophobicContact CB-CD2 4.4Å; M689-L691 HydrophobicContact CB-CG 4.14Å; M689-L691 HydrophobicContact CE-CD2 4.31Å; L691-Q720 CarbonylContact O-C 3.6Å; L691-Q720 VanDerWaalsContact O-CA 3.29Å; L691-Q720 WeakPolarHBondContact O-CA 3.31Å; L691-I721 HydrophobicContact CB-CG2 4.18Å; L691-I721 PolarHBondContact N-O 3.47Å; L691-I721 PolarHBondContact O-N 3.06Å; L691-I723 HydrophobicContact CD1-CD1 4.2Å; L691-I777 HydrophobicContact CD1-CD1 3.73Å; L691-I777 HydrophobicContact CD1-CG1 3.51Å; L691-A781 HydrophobicContact CD1-CB 4.09Å; L691-A781 HydrophobicContact CD2-CB 3.89Å; L691-I782 WeakPolarHBondContact CD2-O 3.43Å; L691-L785 HydrophobicContact CB-CB 4.25Å; L691-L785 HydrophobicContact CD1-CB 4.36Å
692	H	87.6	Confident	76.1	Confident	72 Å²	72	61 Å²	61	33%	0.333	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	122	167.8	-73.1	-79.6	0	0	0	110.5	G719 Q720 D783 E784 L785	H692-G719 WeakPolarHBondContact CA-O 3.43Å; H692-Q720 PolarHBondContact CE1-NE2 3.47Å; H692-Q720 WeakPolarHBondContact ND1-CG 3.28Å; H692-Q720 PolarHBondContact NE2-NE2 2.97Å; H692-D783 PolarHBondContact N-O 3.47Å; H692-E784 HydrophobicContact CB-CG 4.35Å; H692-E784 WeakPolarHBondContact O-CA 3.46Å; H692-L785 PolarHBondContact O-N 3.33Å
693	I	90.3	Very high	77.8	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	123.5	177.9	-53.2	163.6	0	0	0	109	L718 G719 I721 L736 Y746 I787	I693-L718 HydrophobicContact CB-CB 4.18Å; I693-L718 HydrophobicContact CG2-CB 4.05Å; I693-L718 HydrophobicContact CG2-CD1 3.99Å; I693-L718 HydrophobicContact CG2-CG 4.31Å; I693-L718 PolarHBondContact O-N 3.13Å; I693-G719 PolarHBondContact N-O 3.45Å; I693-I721 HydrophobicContact CD1-CB 4.09Å; I693-I721 HydrophobicContact CD1-CG2 3.95Å; I693-I721 HydrophobicContact CG1-CB 4.48Å; I693-I721 HydrophobicContact CG1-CG2 3.84Å; I693-L736 HydrophobicContact CD1-CD2 3.51Å; I693-L736 HydrophobicContact CG1-CD2 4.13Å; I693-Y746 HydrophobicContact CD1-CE1 4.34Å; I693-I787 HydrophobicContact CG2-CD1 4.38Å
694	L	89.9	Confident	79.4	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120	-178.2	-75.3	173.4	0	0	0	110.8	A715 N716 K717 E784 L785 Y786 I787	L694-A715 HydrophobicContact CB-CB 4.05Å; L694-A715 HydrophobicContact CD2-CB 4.04Å; L694-A715 HydrophobicContact CG-CB 4.46Å; L694-N716 WeakPolarHBondContact CA-O 3.48Å; L694-K717 HydrophobicContact CD2-CB 4.34Å; L694-K717 HydrophobicContact CD2-CG 3.47Å; L694-K717 VanDerWaalsContact CD2-CG 3.47Å; L694-E784 HydrophobicContact CD1-CB 3.96Å; L694-E784 HydrophobicContact CD1-CG 3.83Å; L694-L785 PolarHBondContact N-O 2.7Å; L694-Y786 HydrophobicContact CB-CD1 3.97Å; L694-Y786 HydrophobicContact CB-CE1 4.06Å; L694-Y786 HydrophobicContact CB-CG 4.34Å; L694-Y786 HydrophobicContact CD1-CD1 4.3Å; L694-Y786 HydrophobicContact CD1-CE1 3.62Å; L694-Y786 HydrophobicContact CD1-CE2 3.86Å; L694-Y786 WeakPolarHBondContact CD1-OH 3.48Å; L694-Y786 HydrophobicContact CG-CE1 4.48Å; L694-Y786 WeakPolarHBondContact O-CA 3.47Å; L694-I787 PolarHBondContact O-N 3.05Å
695	R	88.6	Confident	80.7	Confident	42 Å²	42	55.7 Å²	55.7	16%	0.158	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	122.7	177.9	-177.2	-176.9	-177.1	-155.3	11.2	110.7	N716 L718 K748 I787 D789	R695-N716 HydrophobicContact CB-CB 4.39Å; R695-N716 PolarHBondContact N-O 3.01Å; R695-N716 PolarHBondContact O-N 3.18Å; R695-L718 HydrophobicContact CB-CD1 3.93Å; R695-L718 HydrophobicContact CB-CD2 3.94Å; R695-L718 HydrophobicContact CB-CG 3.86Å; R695-K748 PolarHBondContact NH2-O 3.31Å; R695-K748 VanDerWaalsContact NH2-O 3.17Å; R695-I787 HydrophobicContact CB-CG1 4.16Å; R695-I787 HydrophobicContact CG-CG1 4.42Å; R695-D789 HydrophobicContact CG-CB 4.1Å; R695-D789 IonicContact CZ-OD2 2.65Å; R695-D789 IonicContact NE-OD2 2.71Å; R695-D789 PolarHBondContact NE-OD2 3.47Å; R695-D789 IonicContact NH2-OD2 2.66Å; R695-D789 PolarHBondContact NH2-OD2 3.25Å
696	V	88.5	Confident	82	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	138	175.4	174.7	0	0	0	0	108.7	Q700 L711 A715 I756 Y786 I787 L788 D789	V696-Q700 HydrophobicContact CG1-CB 3.99Å; V696-L711 HydrophobicContact CG1-CD1 3.74Å; V696-L711 HydrophobicContact CG1-CD2 4.16Å; V696-L711 HydrophobicContact CG1-CG 4.05Å; V696-L711 HydrophobicContact CG2-CD2 4.23Å; V696-L711 HydrophobicContact CG2-CG 4.14Å; V696-A715 HydrophobicContact CG2-CB 3.75Å; V696-I756 HydrophobicContact CB-CD1 4.07Å; V696-I756 HydrophobicContact CG1-CD1 4.4Å; V696-I756 HydrophobicContact CG2-CD1 4.29Å; V696-Y786 HydrophobicContact CG2-CD1 3.92Å; V696-I787 PolarHBondContact N-O 3.34Å; V696-L788 HydrophobicContact CG1-CD1 4.21Å; V696-D789 PolarHBondContact O-N 3.16Å
697	T	86.5	Confident	83	Confident	20 Å²	20	58.2 Å²	58.2	12%	0.123	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	154.2	173.9	76.8	0	0	0	0	111.3	Q699 Q700 Y701 A792	T697-Q699 VanDerWaalsContact C-N 3.26Å; T697-Q699 PolarHBondContact O-N 2.8Å; T697-Q700 WeakPolarHBondContact O-CB 3.27Å; T697-Q700 PolarHBondContact O-N 3.04Å; T697-Q700 VanDerWaalsContact O-N 3.1Å; T697-Q700 WeakPolarHBondContact OG1-CG 3.44Å; T697-Q700 PolarHBondContact OG1-N 3.07Å; T697-Y701 PolarHBondContact O-N 3.45Å; T697-A792 HydrophobicContact CG2-CB 3.57Å
698	M	84.1	Confident	83.7	Confident	36 Å²	36	57 Å²	57	18%	0.177	26%	0.259	C	S	.	.	H	α-helix	trans	-50.3	-43.7	174.2	-85.9	-62.4	-59	0	0	113.7	Q700 Y701 E702 L788 D789 H790	M698-Q700 PolarHBondContact O-N 2.87Å; M698-Y701 PolarHBondContact O-N 3.4Å; M698-E702 HydrophobicContact CE-CG 4.06Å; M698-E702 VanDerWaalsContact CE-OE1 3.26Å; M698-E702 WeakPolarHBondContact CE-OE1 3.4Å; M698-E702 WeakPolarHBondContact O-CG 3.36Å; M698-E702 PolarHBondContact O-N 2.96Å; M698-L788 HydrophobicContact CG-CD1 4.43Å; M698-L788 HydrophobicContact SD-CD1 3.98Å; M698-L788 HydrophobicContact SD-CD2 3.74Å; M698-L788 HydrophobicContact SD-CG 3.89Å; M698-D789 PolarHBondContact N-O 3.08Å; M698-H790 HydrophobicContact CG-CB 4.48Å; M698-H790 WeakPolarHBondContact CG-ND1 3.34Å; M698-H790 PolarHBondContact SD-CE1 3.34Å
699	Q	82.6	Confident	84.1	Confident	132 Å²	132	57 Å²	57	62%	0.617	26%	0.261	S	S	*	.	H	α-helix	trans	-61.3	-44.6	178	-173.1	-176.2	14.7	0	0	112.3	T697 Q703	T697-Q699 VanDerWaalsContact C-N 3.26Å; T697-Q699 PolarHBondContact O-N 2.8Å; Q699-Q703 VanDerWaalsContact O-CB 3.31Å; Q699-Q703 WeakPolarHBondContact O-CB 3.05Å; Q699-Q703 PolarHBondContact O-N 2.89Å; Q699-Q703 VanDerWaalsContact O-N 3.11Å
700	Q	85.2	Confident	84.4	Confident	33 Å²	33	58.1 Å²	58.1	15%	0.154	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-42.6	176.3	-68.6	170.4	-24	0	0	111.2	V696 T697 M698 Y704 L711 L714	V696-Q700 HydrophobicContact CG1-CB 3.99Å; T697-Q700 WeakPolarHBondContact O-CB 3.27Å; T697-Q700 PolarHBondContact O-N 3.04Å; T697-Q700 VanDerWaalsContact O-N 3.1Å; T697-Q700 WeakPolarHBondContact OG1-CG 3.44Å; T697-Q700 PolarHBondContact OG1-N 3.07Å; M698-Q700 PolarHBondContact O-N 2.87Å; Q700-Y704 WeakPolarHBondContact O-CB 2.98Å; Q700-Y704 PolarHBondContact O-N 2.92Å; Q700-L711 HydrophobicContact CB-CD1 4.09Å; Q700-L711 WeakPolarHBondContact O-CD1 3.48Å; Q700-L714 HydrophobicContact CG-CB 4.4Å; Q700-L714 HydrophobicContact CG-CD1 4.44Å; Q700-L714 PolarHBondContact NE2-O 3.01Å
701	Y	85.3	Confident	84.4	Confident	18 Å²	18	51.9 Å²	51.9	7%	0.071	24%	0.237	C	C	.	.	H	α-helix	trans	-66	-48.9	179.1	179.6	-95.7	0	0	0	112	T697 M698 Q703 Y704 H705 L711 I756 Y764 R766 L788	T697-Y701 PolarHBondContact O-N 3.45Å; M698-Y701 PolarHBondContact O-N 3.4Å; Y701-Q703 VanDerWaalsContact C-N 3.27Å; Y701-Q703 PolarHBondContact O-N 3.38Å; Y701-Y704 PolarHBondContact O-N 3.03Å; Y701-H705 HydrophobicContact CD1-CB 4.45Å; Y701-H705 HydrophobicContact CD2-CB 3.89Å; Y701-H705 HydrophobicContact CE1-CB 4.27Å; Y701-H705 HydrophobicContact CE2-CB 3.7Å; Y701-H705 HydrophobicContact CG-CB 4.26Å; Y701-H705 WeakPolarHBondContact O-CA 3.5Å; Y701-H705 WeakPolarHBondContact O-CB 3.45Å; Y701-H705 PolarHBondContact O-N 3.08Å; Y701-H705 PolarHBondContact O-ND1 3.38Å; Y701-L711 HydrophobicContact CD2-CD2 4.38Å; Y701-I756 HydrophobicContact CD2-CD1 4.08Å; Y701-I756 HydrophobicContact CE2-CD1 4.46Å; Y701-I756 HydrophobicContact CE2-CG2 3.99Å; Y701-Y764 PolarHBondContact OH-O 3.43Å; Y701-R766 PolarHBondContact OH-N 2.96Å; Y701-L788 HydrophobicContact CD1-CD2 4.05Å; Y701-L788 HydrophobicContact CD2-CD1 4.42Å; Y701-L788 HydrophobicContact CD2-CD2 4.42Å; Y701-L788 HydrophobicContact CE1-CD2 4.35Å; Y701-L788 HydrophobicContact CG-CD1 3.93Å; Y701-L788 HydrophobicContact CG-CD2 4.09Å
702	E	85	Confident	84.3	Confident	104 Å²	104	58.2 Å²	58.2	49%	0.486	26%	0.261	S	S	.	.	H	α-helix	trans	-58.1	-41.4	177.5	-72.7	-179	167.8	0	0	111.6	M698 H705	M698-E702 HydrophobicContact CE-CG 4.06Å; M698-E702 VanDerWaalsContact CE-OE1 3.26Å; M698-E702 WeakPolarHBondContact CE-OE1 3.4Å; M698-E702 WeakPolarHBondContact O-CG 3.36Å; M698-E702 PolarHBondContact O-N 2.96Å; E702-H705 PolarHBondContact O-CE1 3.31Å; E702-H705 PolarHBondContact O-ND1 2.85Å; E702-H705 VanDerWaalsContact O-ND1 3.13Å
703	Q	82.8	Confident	84.2	Confident	97 Å²	97	61.6 Å²	61.6	45%	0.453	28%	0.275	S	S	.	.	H	α-helix	trans	-76.5	-30.6	-179.9	-167.3	175.9	9	0	0	114.6	Q699 Y701 Y706	Q699-Q703 VanDerWaalsContact O-CB 3.31Å; Q699-Q703 WeakPolarHBondContact O-CB 3.05Å; Q699-Q703 PolarHBondContact O-N 2.89Å; Q699-Q703 VanDerWaalsContact O-N 3.11Å; Y701-Q703 VanDerWaalsContact C-N 3.27Å; Y701-Q703 PolarHBondContact O-N 3.38Å; Q703-Y706 WeakPolarHBondContact O-CE1 3.32Å; Q703-Y706 VanDerWaalsContact O-CZ 3.27Å; Q703-Y706 PolarHBondContact O-OH 3.46Å; Q703-Y706 VanDerWaalsContact O-OH 3.08Å
704	Y	83.8	Confident	84	Confident	50 Å²	50	64.2 Å²	64.2	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-134.1	10.6	-168.5	-58.4	-71.1	0	0	0	116.1	Q700 Y701 Y706 D707 M710 L714	Q700-Y704 WeakPolarHBondContact O-CB 2.98Å; Q700-Y704 PolarHBondContact O-N 2.92Å; Y701-Y704 PolarHBondContact O-N 3.03Å; Y704-Y706 PolarHBondContact O-N 3.12Å; Y704-D707 CarbonylContact O-C 3.4Å; Y704-D707 PolarHBondContact O-N 2.89Å; Y704-D707 VanDerWaalsContact O-O 3.04Å; Y704-M710 HydrophobicContact CD1-CB 3.86Å; Y704-M710 HydrophobicContact CD1-CG 3.52Å; Y704-M710 HydrophobicContact CD2-CG 4.24Å; Y704-M710 HydrophobicContact CE1-CB 4.31Å; Y704-M710 HydrophobicContact CE1-CE 4.46Å; Y704-M710 HydrophobicContact CE1-CG 3.54Å; Y704-M710 HydrophobicContact CE2-CG 4.24Å; Y704-M710 HydrophobicContact CG-CB 4.2Å; Y704-M710 HydrophobicContact CG-CG 3.88Å; Y704-L714 HydrophobicContact CD2-CD1 3.46Å; Y704-L714 VanDerWaalsContact CD2-CD1 3.46Å; Y704-L714 HydrophobicContact CE2-CD1 3.45Å; Y704-L714 VanDerWaalsContact CE2-CD1 3.45Å; Y704-L714 HydrophobicContact CG-CD1 4.33Å
705	H	78.9	Confident	83.8	Confident	45 Å²	45	64.7 Å²	64.7	21%	0.208	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-26.2	176.4	60.2	-80.4	0	0	0	113.9	Y701 E702 H763 Y764	Y701-H705 HydrophobicContact CD1-CB 4.45Å; Y701-H705 HydrophobicContact CD2-CB 3.89Å; Y701-H705 HydrophobicContact CE1-CB 4.27Å; Y701-H705 HydrophobicContact CE2-CB 3.7Å; Y701-H705 HydrophobicContact CG-CB 4.26Å; Y701-H705 WeakPolarHBondContact O-CA 3.5Å; Y701-H705 WeakPolarHBondContact O-CB 3.45Å; Y701-H705 PolarHBondContact O-N 3.08Å; Y701-H705 PolarHBondContact O-ND1 3.38Å; E702-H705 PolarHBondContact O-CE1 3.31Å; E702-H705 PolarHBondContact O-ND1 2.85Å; E702-H705 VanDerWaalsContact O-ND1 3.13Å; H705-H763 WeakPolarHBondContact O-CA 3.49Å; H705-H763 WeakPolarHBondContact O-CB 3.45Å; H705-Y764 PolarHBondContact O-N 2.93Å
706	Y	78.2	Confident	83.7	Confident	134 Å²	134	66.8 Å²	66.8	53%	0.525	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-18.6	175.6	55.7	-98.3	0	0	0	114.8	Q703 Y704 H763	Q703-Y706 WeakPolarHBondContact O-CE1 3.32Å; Q703-Y706 VanDerWaalsContact O-CZ 3.27Å; Q703-Y706 PolarHBondContact O-OH 3.46Å; Q703-Y706 VanDerWaalsContact O-OH 3.08Å; Y704-Y706 PolarHBondContact O-N 3.12Å; Y706-H763 WeakPolarHBondContact CA-ND1 3.36Å; Y706-H763 PolarHBondContact O-ND1 3.07Å
707	D	79.8	Confident	83.5	Confident	68 Å²	68	74.4 Å²	74.4	36%	0.364	34%	0.34	S	S	.	.			trans	-106.4	98.1	177.2	-176	-26.7	0	0	0	109.9	Y704 E709 M710 L711	Y704-D707 CarbonylContact O-C 3.4Å; Y704-D707 PolarHBondContact O-N 2.89Å; Y704-D707 VanDerWaalsContact O-O 3.04Å; D707-E709 VanDerWaalsContact C-N 3.29Å; D707-E709 PolarHBondContact O-N 3.03Å; D707-E709 PolarHBondContact OD1-N 3.08Å; D707-E709 VanDerWaalsContact OD1-N 3.09Å; D707-M710 HydrophobicContact CB-CB 4.1Å; D707-M710 VanDerWaalsContact CG-CB 3.49Å; D707-M710 PolarHBondContact O-N 3.34Å; D707-M710 PolarHBondContact OD1-N 3.39Å; D707-L711 PolarHBondContact O-N 3.22Å; D707-L711 VanDerWaalsContact O-N 3.11Å
708	K	78.4	Confident	83.3	Confident	58 Å²	58	74.5 Å²	74.5	25%	0.252	34%	0.34	S	S	.	.	H	α-helix	trans	-65.5	-31.6	-174.6	-77	-165.8	170	-179.8	0	114.6	R712 S758 A761 E762 H763 Y764	K708-R712 VanDerWaalsContact O-CB 3.27Å; K708-R712 WeakPolarHBondContact O-CB 3.48Å; K708-R712 PolarHBondContact O-N 3.46Å; K708-R712 VanDerWaalsContact O-N 3.17Å; K708-S758 PolarHBondContact NZ-O 3.14Å; K708-A761 WeakPolarHBondContact CE-O 3.4Å; K708-A761 PolarHBondContact NZ-O 3.42Å; K708-E762 WeakPolarHBondContact CD-O 3.31Å; K708-E762 VanDerWaalsContact CE-O 3.26Å; K708-E762 WeakPolarHBondContact CE-O 3.42Å; K708-E762 WeakPolarHBondContact CG-O 3.45Å; K708-H763 WeakPolarHBondContact CE-O 3.37Å; K708-Y764 HydrophobicContact CB-CE2 3.95Å; K708-Y764 HydrophobicContact CD-CE2 4.43Å; K708-Y764 HydrophobicContact CG-CD2 3.85Å; K708-Y764 HydrophobicContact CG-CE2 3.66Å
709	E	82.6	Confident	83.3	Confident	113 Å²	113	74 Å²	74	53%	0.528	34%	0.344	S	S	.	.	H	α-helix	trans	-76.3	-42.2	-179.1	-77.5	-161.5	-158.7	0	0	111.4	D707 R712 K713	D707-E709 VanDerWaalsContact C-N 3.29Å; D707-E709 PolarHBondContact O-N 3.03Å; D707-E709 PolarHBondContact OD1-N 3.08Å; D707-E709 VanDerWaalsContact OD1-N 3.09Å; E709-R712 PolarHBondContact O-N 3.26Å; E709-K713 WeakPolarHBondContact O-CB 3.32Å; E709-K713 VanDerWaalsContact O-CD 3.31Å; E709-K713 WeakPolarHBondContact O-CD 3.16Å; E709-K713 WeakPolarHBondContact O-CG 3.35Å; E709-K713 PolarHBondContact O-N 3.35Å; E709-K713 IonicContact OE2-NZ 2.88Å; E709-K713 PolarHBondContact OE2-NZ 2.85Å
710	M	82.9	Confident	83.5	Confident	64 Å²	64	72.8 Å²	72.8	32%	0.315	34%	0.338	S	S	.	.	H	α-helix	trans	-66.2	-43.2	179.1	-164.5	61.4	175.5	0	0	110.9	Y704 D707 R712 K713 L714	Y704-M710 HydrophobicContact CD1-CB 3.86Å; Y704-M710 HydrophobicContact CD1-CG 3.52Å; Y704-M710 HydrophobicContact CD2-CG 4.24Å; Y704-M710 HydrophobicContact CE1-CB 4.31Å; Y704-M710 HydrophobicContact CE1-CE 4.46Å; Y704-M710 HydrophobicContact CE1-CG 3.54Å; Y704-M710 HydrophobicContact CE2-CG 4.24Å; Y704-M710 HydrophobicContact CG-CB 4.2Å; Y704-M710 HydrophobicContact CG-CG 3.88Å; D707-M710 HydrophobicContact CB-CB 4.1Å; D707-M710 VanDerWaalsContact CG-CB 3.49Å; D707-M710 PolarHBondContact O-N 3.34Å; D707-M710 PolarHBondContact OD1-N 3.39Å; M710-R712 VanDerWaalsContact C-N 3.35Å; M710-R712 PolarHBondContact O-N 3.48Å; M710-K713 PolarHBondContact O-N 3.43Å; M710-L714 HydrophobicContact CE-CD1 4.12Å; M710-L714 HydrophobicContact CE-CD2 4.41Å; M710-L714 HydrophobicContact CE-CG 4.35Å; M710-L714 HydrophobicContact CG-CD1 3.98Å; M710-L714 HydrophobicContact CG-CG 4.48Å; M710-L714 WeakPolarHBondContact O-CB 3.28Å; M710-L714 VanDerWaalsContact O-CG 3.27Å; M710-L714 WeakPolarHBondContact O-CG 3.35Å; M710-L714 PolarHBondContact O-N 3.31Å
711	L	83.8	Confident	83.6	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62.8	-40.4	175.6	-155.6	77.9	0	0	0	112.1	V696 Q700 Y701 D707 K713 L714 A715 Y764	V696-L711 HydrophobicContact CG1-CD1 3.74Å; V696-L711 HydrophobicContact CG1-CD2 4.16Å; V696-L711 HydrophobicContact CG1-CG 4.05Å; V696-L711 HydrophobicContact CG2-CD2 4.23Å; V696-L711 HydrophobicContact CG2-CG 4.14Å; Q700-L711 HydrophobicContact CB-CD1 4.09Å; Q700-L711 WeakPolarHBondContact O-CD1 3.48Å; Y701-L711 HydrophobicContact CD2-CD2 4.38Å; D707-L711 PolarHBondContact O-N 3.22Å; D707-L711 VanDerWaalsContact O-N 3.11Å; L711-K713 PolarHBondContact O-N 2.9Å; L711-L714 PolarHBondContact O-N 2.99Å; L711-A715 WeakPolarHBondContact O-CB 3.4Å; L711-A715 PolarHBondContact O-N 3.28Å; L711-Y764 HydrophobicContact CB-CD2 4.05Å; L711-Y764 HydrophobicContact CB-CE2 3.77Å; L711-Y764 HydrophobicContact CD2-CD1 4.33Å; L711-Y764 HydrophobicContact CD2-CD2 3.28Å; L711-Y764 HydrophobicContact CD2-CE2 3.6Å; L711-Y764 HydrophobicContact CD2-CG 3.7Å; L711-Y764 HydrophobicContact CG-CD2 4.28Å; L711-Y764 HydrophobicContact CG-CE2 4.26Å
712	R	85.3	Confident	83.7	Confident	133 Å²	133	75 Å²	75	50%	0.502	35%	0.349	S	S	.	.	H	α-helix	trans	-64.2	-36.3	175.2	179.8	168.8	-168	-154.4	7.3	113	K708 E709 M710 E784 Y786	K708-R712 VanDerWaalsContact O-CB 3.27Å; K708-R712 WeakPolarHBondContact O-CB 3.48Å; K708-R712 PolarHBondContact O-N 3.46Å; K708-R712 VanDerWaalsContact O-N 3.17Å; E709-R712 PolarHBondContact O-N 3.26Å; M710-R712 VanDerWaalsContact C-N 3.35Å; M710-R712 PolarHBondContact O-N 3.48Å; R712-E784 IonicContact CZ-OE1 3.78Å; R712-E784 IonicContact CZ-OE2 3.35Å; R712-E784 IonicContact NE-OE1 3.88Å; R712-E784 PolarHBondContact NE-OE1 3.39Å; R712-E784 IonicContact NE-OE2 3.68Å; R712-E784 PolarHBondContact NE-OE2 2.93Å; R712-E784 VanDerWaalsContact NH2-CD 3.3Å; R712-E784 IonicContact NH2-OE1 2.88Å; R712-E784 PolarHBondContact NH2-OE1 2.85Å; R712-E784 IonicContact NH2-OE2 3.34Å; R712-Y786 WeakPolarHBondContact CB-OH 3.23Å; R712-Y786 VanDerWaalsContact CG-OH 3.23Å; R712-Y786 WeakPolarHBondContact CG-OH 3.21Å
713	K	85.6	Confident	83.7	Confident	143 Å²	143	70.2 Å²	70.2	62%	0.622	33%	0.327	S	S	*	.	H	α-helix	trans	-73.5	-27.2	177.1	-70.6	161	-166.3	166.5	0	112.7	E709 M710 L711	E709-K713 WeakPolarHBondContact O-CB 3.32Å; E709-K713 VanDerWaalsContact O-CD 3.31Å; E709-K713 WeakPolarHBondContact O-CD 3.16Å; E709-K713 WeakPolarHBondContact O-CG 3.35Å; E709-K713 PolarHBondContact O-N 3.35Å; E709-K713 IonicContact OE2-NZ 2.88Å; E709-K713 PolarHBondContact OE2-NZ 2.85Å; M710-K713 PolarHBondContact O-N 3.43Å; L711-K713 PolarHBondContact O-N 2.9Å
714	L	85.3	Confident	83.7	Confident	56 Å²	56	69.4 Å²	69.4	29%	0.293	32%	0.323	S	S	.	.	H	α-helix	trans	-92	-13.7	179.7	-69.3	174.9	0	0	0	114.2	Q700 Y704 M710 L711	Q700-L714 HydrophobicContact CG-CB 4.4Å; Q700-L714 HydrophobicContact CG-CD1 4.44Å; Q700-L714 PolarHBondContact NE2-O 3.01Å; Y704-L714 HydrophobicContact CD2-CD1 3.46Å; Y704-L714 VanDerWaalsContact CD2-CD1 3.46Å; Y704-L714 HydrophobicContact CE2-CD1 3.45Å; Y704-L714 VanDerWaalsContact CE2-CD1 3.45Å; Y704-L714 HydrophobicContact CG-CD1 4.33Å; M710-L714 HydrophobicContact CE-CD1 4.12Å; M710-L714 HydrophobicContact CE-CD2 4.41Å; M710-L714 HydrophobicContact CE-CG 4.35Å; M710-L714 HydrophobicContact CG-CD1 3.98Å; M710-L714 HydrophobicContact CG-CG 4.48Å; M710-L714 WeakPolarHBondContact O-CB 3.28Å; M710-L714 VanDerWaalsContact O-CG 3.27Å; M710-L714 WeakPolarHBondContact O-CG 3.35Å; M710-L714 PolarHBondContact O-N 3.31Å; L711-L714 PolarHBondContact O-N 2.99Å
715	A	87	Confident	83.2	Confident	12 Å²	12	68 Å²	68	10%	0.099	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-75.3	132.3	-176.9	0	0	0	0	0	112.6	L694 V696 L711 Y786	L694-A715 HydrophobicContact CB-CB 4.05Å; L694-A715 HydrophobicContact CD2-CB 4.04Å; L694-A715 HydrophobicContact CG-CB 4.46Å; V696-A715 HydrophobicContact CG2-CB 3.75Å; L711-A715 WeakPolarHBondContact O-CB 3.4Å; L711-A715 PolarHBondContact O-N 3.28Å; A715-Y786 HydrophobicContact CB-CE1 4.12Å
716	N	86.2	Confident	82.9	Confident	86 Å²	86	69.6 Å²	69.6	46%	0.46	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	122.9	-179	-67	-61.9	0	0	0	110.9	L694 R695 L718	L694-N716 WeakPolarHBondContact CA-O 3.48Å; R695-N716 HydrophobicContact CB-CB 4.39Å; R695-N716 PolarHBondContact N-O 3.01Å; R695-N716 PolarHBondContact O-N 3.18Å; N716-L718 PolarHBondContact O-N 3.11Å
717	K	85.2	Confident	83.1	Confident	161 Å²	161	64.2 Å²	64.2	70%	0.7	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	116.6	174.3	-71.3	178.1	179.4	-174.1	0	110.2	L694	L694-K717 HydrophobicContact CD2-CB 4.34Å; L694-K717 HydrophobicContact CD2-CG 3.47Å; L694-K717 VanDerWaalsContact CD2-CG 3.47Å
718	L	82.3	Confident	83.5	Confident	22 Å²	22	62.4 Å²	62.4	12%	0.115	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-37.3	175.7	-60.4	-169.3	0	0	0	112.4	I693 R695 N716 F740 Y746 P747 V749 I787	I693-L718 HydrophobicContact CB-CB 4.18Å; I693-L718 HydrophobicContact CG2-CB 4.05Å; I693-L718 HydrophobicContact CG2-CD1 3.99Å; I693-L718 HydrophobicContact CG2-CG 4.31Å; I693-L718 PolarHBondContact O-N 3.13Å; R695-L718 HydrophobicContact CB-CD1 3.93Å; R695-L718 HydrophobicContact CB-CD2 3.94Å; R695-L718 HydrophobicContact CB-CG 3.86Å; N716-L718 PolarHBondContact O-N 3.11Å; L718-F740 HydrophobicContact CD1-CE1 4.16Å; L718-F740 HydrophobicContact CD1-CZ 4.23Å; L718-Y746 HydrophobicContact CB-CD1 3.95Å; L718-Y746 HydrophobicContact CB-CE1 3.92Å; L718-Y746 VanDerWaalsContact O-CE1 3.31Å; L718-Y746 WeakPolarHBondContact O-CE1 3.38Å; L718-P747 HydrophobicContact CD2-CG 4.24Å; L718-V749 HydrophobicContact CD1-CG2 4.22Å; L718-I787 HydrophobicContact CD1-CD1 3.8Å
719	G	83.3	Confident	84	Confident	25 Å²	25	59.6 Å²	59.6	26%	0.258	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	164.6	-153.4	-178.3	0	0	0	0	0	113.4	H692 I693	H692-G719 WeakPolarHBondContact CA-O 3.43Å; I693-G719 PolarHBondContact N-O 3.45Å
720	Q	86.8	Confident	84.3	Confident	107 Å²	107	59 Å²	59	50%	0.5	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.6	174.5	-77.1	177	-49.5	0	0	110.7	L691 H692	L691-Q720 CarbonylContact O-C 3.6Å; L691-Q720 VanDerWaalsContact O-CA 3.29Å; L691-Q720 WeakPolarHBondContact O-CA 3.31Å; H692-Q720 PolarHBondContact CE1-NE2 3.47Å; H692-Q720 WeakPolarHBondContact ND1-CG 3.28Å; H692-Q720 PolarHBondContact NE2-NE2 2.97Å
721	I	87.3	Confident	84.5	Confident	5 Å²	5	61.3 Å²	61.3	3%	0.026	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	142.4	172.7	-172.9	168.7	0	0	0	110.1	Q690 L691 I693 I723 M735 L736 K739	Q690-I721 WeakPolarHBondContact CA-O 3.34Å; L691-I721 HydrophobicContact CB-CG2 4.18Å; L691-I721 PolarHBondContact N-O 3.47Å; L691-I721 PolarHBondContact O-N 3.06Å; I693-I721 HydrophobicContact CD1-CB 4.09Å; I693-I721 HydrophobicContact CD1-CG2 3.95Å; I693-I721 HydrophobicContact CG1-CB 4.48Å; I693-I721 HydrophobicContact CG1-CG2 3.84Å; I721-I723 HydrophobicContact CB-CG1 4.39Å; I721-I723 HydrophobicContact CD1-CD1 3.98Å; I721-I723 HydrophobicContact CD1-CG1 3.94Å; I721-I723 HydrophobicContact CG1-CD1 4.17Å; I721-I723 HydrophobicContact CG1-CG1 3.72Å; I721-I723 HydrophobicContact CG2-CD1 3.77Å; I721-I723 HydrophobicContact CG2-CG1 3.95Å; I721-M735 HydrophobicContact CD1-CB 4.46Å; I721-L736 HydrophobicContact CD1-CD2 3.77Å; I721-L736 HydrophobicContact CD1-CG 4.2Å; I721-L736 HydrophobicContact CG2-CD2 4.45Å; I721-K739 HydrophobicContact CD1-CD 3.78Å; I721-K739 HydrophobicContact CG1-CD 4.14Å
722	E	87.8	Confident	84.8	Confident	93 Å²	93	61.3 Å²	61.3	44%	0.435	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	125.9	168.6	-171.9	-172	-129.8	0	0	108.4	K688 M689 Q690	K688-E722 HydrophobicContact CB-CG 3.79Å; K688-E722 HydrophobicContact CD-CG 3.78Å; K688-E722 WeakPolarHBondContact CD-OE1 3.34Å; K688-E722 WeakPolarHBondContact CD-OE2 3.41Å; K688-E722 HydrophobicContact CG-CG 4.39Å; K688-E722 IonicContact NZ-OE2 2.75Å; K688-E722 PolarHBondContact NZ-OE2 2.96Å; M689-E722 WeakPolarHBondContact O-CA 3.45Å; Q690-E722 HydrophobicContact CG-CG 4.39Å
723	I	85.5	Confident	85	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140.6	-175.8	-51.4	-176.1	0	0	0	109	K688 M689 L691 I721 C727 V732 I777 L785	K688-I723 CarbonylContact C-O 3.53Å; K688-I723 WeakPolarHBondContact CA-O 3.38Å; M689-I723 PolarHBondContact N-O 3.12Å; M689-I723 PolarHBondContact O-N 2.96Å; L691-I723 HydrophobicContact CD1-CD1 4.2Å; I721-I723 HydrophobicContact CB-CG1 4.39Å; I721-I723 HydrophobicContact CD1-CD1 3.98Å; I721-I723 HydrophobicContact CD1-CG1 3.94Å; I721-I723 HydrophobicContact CG1-CD1 4.17Å; I721-I723 HydrophobicContact CG1-CG1 3.72Å; I721-I723 HydrophobicContact CG2-CD1 3.77Å; I721-I723 HydrophobicContact CG2-CG1 3.95Å; I723-C727 HydrophobicContact CG2-CB 3.81Å; I723-V732 HydrophobicContact CD1-CB 4.46Å; I723-V732 HydrophobicContact CD1-CG1 3.67Å; I723-V732 HydrophobicContact CD1-CG2 3.96Å; I723-V732 HydrophobicContact CG2-CG2 3.66Å; I723-I777 HydrophobicContact CD1-CD1 4.33Å; I723-I777 HydrophobicContact CD1-CG1 4.26Å; I723-I777 HydrophobicContact CG2-CG1 4.46Å; I723-I777 HydrophobicContact CG2-CG2 4.23Å; I723-L785 HydrophobicContact CD1-CD2 4.41Å
724	E	80.9	Confident	85.1	Confident	81 Å²	81	52.7 Å²	52.7	38%	0.379	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	135.1	171	-55.4	-169.4	169.2	0	0	110.9	K688 Q726 C727	K688-E724 HydrophobicContact CG-CG 4.23Å; E724-Q726 HydrophobicContact CB-CG 4.01Å; E724-Q726 PolarHBondContact O-N 3.14Å; E724-Q726 PolarHBondContact OE2-NE2 2.81Å; E724-C727 PolarHBondContact O-N 2.7Å
725	S	73.5	Confident	85.2	Confident	21 Å²	21	53.6 Å²	53.6	15%	0.147	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-15.8	-179.5	49.1	0	0	0	0	114.6	P340 E687	P340-S725 WeakPolarHBondContact CG-O 3.25Å; E687-S725 VanDerWaalsContact O-CB 3.23Å; E687-S725 WeakPolarHBondContact O-CB 3.34Å; E687-S725 PolarHBondContact O-N 3Å; E687-S725 PolarHBondContact O-OG 3.42Å
726	Q	73.9	Confident	85.3	Confident	77 Å²	77	53 Å²	53	36%	0.36	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-7.1	176.3	64.6	178.9	-7.4	0	0	115.9	P340 L686 E724 D728 Y776	P340-Q726 HydrophobicContact CB-CB 3.75Å; L686-Q726 HydrophobicContact CD1-CB 4.12Å; L686-Q726 HydrophobicContact CD1-CG 4.31Å; L686-Q726 VanDerWaalsContact CD1-OE1 3.24Å; E724-Q726 HydrophobicContact CB-CG 4.01Å; E724-Q726 PolarHBondContact O-N 3.14Å; E724-Q726 PolarHBondContact OE2-NE2 2.81Å; Q726-D728 PolarHBondContact O-N 3.43Å; Q726-Y776 WeakPolarHBondContact O-CD1 3.37Å; Q726-Y776 WeakPolarHBondContact O-CE1 3.4Å
727	C	82.6	Confident	85.3	Confident	21 Å²	21	51.1 Å²	51.1	14%	0.142	25%	0.254	C	S	.	.			trans	-66.8	129.8	178.1	-63.6	0	0	0	0	111.4	I723 E724 V732 I777	I723-C727 HydrophobicContact CG2-CB 3.81Å; E724-C727 PolarHBondContact O-N 2.7Å; C727-V732 HydrophobicContact CB-CG2 3.72Å; C727-I777 PolarHBondContact O-N 3.38Å
728	D	86.8	Confident	85.2	Confident	30 Å²	30	46.6 Å²	46.6	16%	0.16	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-68.2	165.9	161.2	62.3	65.3	0	0	0	111.3	Q726 E730 H731 V732 H775	Q726-D728 PolarHBondContact O-N 3.43Å; D728-E730 VanDerWaalsContact C-N 3.28Å; D728-E730 PolarHBondContact O-N 3.08Å; D728-E730 WeakPolarHBondContact OD1-CA 3.41Å; D728-E730 WeakPolarHBondContact OD1-CB 3.47Å; D728-E730 PolarHBondContact OD1-N 2.83Å; D728-H731 IonicContact OD1-CG 3.61Å; D728-H731 PolarHBondContact OD1-N 2.92Å; D728-H731 IonicContact OD1-ND1 2.69Å; D728-H731 PolarHBondContact OD1-ND1 2.91Å; D728-H731 IonicContact OD2-CE1 2.89Å; D728-H731 PolarHBondContact OD2-CE1 2.87Å; D728-H731 IonicContact OD2-CG 2.98Å; D728-H731 IonicContact OD2-ND1 2.75Å; D728-H731 PolarHBondContact OD2-ND1 3.04Å; D728-V732 WeakPolarHBondContact O-CG2 3.5Å; D728-V732 PolarHBondContact O-N 3.16Å; D728-V732 VanDerWaalsContact O-N 3.16Å; D728-H775 CarbonylContact C-O 3.59Å; D728-H775 WeakPolarHBondContact CA-O 3.41Å; D728-H775 WeakPolarHBondContact CB-O 3.29Å
729	L	89	Confident	85.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-72.1	-20.3	-175.5	-62.6	-173.9	0	0	0	113.7	V732 R733 F755 I767 E772 H775 I777 I780	L729-V732 PolarHBondContact O-N 3Å; L729-R733 WeakPolarHBondContact O-CB 3.21Å; L729-R733 PolarHBondContact O-N 3.35Å; L729-F755 HydrophobicContact CB-CD2 3.96Å; L729-F755 HydrophobicContact CB-CE2 3.68Å; L729-F755 HydrophobicContact CB-CZ 4.1Å; L729-F755 HydrophobicContact CD1-CB 4.19Å; L729-F755 HydrophobicContact CD1-CD2 4.03Å; L729-F755 HydrophobicContact CD1-CG 4.05Å; L729-F755 HydrophobicContact CD2-CD1 4.37Å; L729-F755 HydrophobicContact CD2-CE1 4.26Å; L729-F755 HydrophobicContact CD2-CZ 4.35Å; L729-F755 HydrophobicContact CG-CD2 4.45Å; L729-F755 HydrophobicContact CG-CE2 4.49Å; L729-F755 VanDerWaalsContact O-CE2 3.23Å; L729-F755 WeakPolarHBondContact O-CE2 3.12Å; L729-F755 WeakPolarHBondContact O-CZ 3.35Å; L729-I767 HydrophobicContact CD1-CD1 3.67Å; L729-I767 HydrophobicContact CD1-CG2 4.45Å; L729-E772 HydrophobicContact CB-CB 3.8Å; L729-E772 HydrophobicContact CB-CG 4.02Å; L729-E772 PolarHBondContact N-O 3.36Å; L729-H775 HydrophobicContact CD1-CB 3.6Å; L729-H775 HydrophobicContact CG-CB 3.92Å; L729-H775 PolarHBondContact N-O 3.26Å; L729-I777 HydrophobicContact CD2-CB 4.49Å; L729-I777 HydrophobicContact CD2-CD1 4.19Å; L729-I780 HydrophobicContact CD1-CD1 3.86Å; L729-I780 HydrophobicContact CD1-CG2 4.26Å; L729-I780 HydrophobicContact CD2-CD1 3.51Å; L729-I780 HydrophobicContact CD2-CG1 4.03Å; L729-I780 HydrophobicContact CG-CD1 4.36Å
730	E	88.5	Confident	85	Confident	99 Å²	99	49.7 Å²	49.7	46%	0.463	25%	0.245	S	C	.	.	H	α-helix	trans	-72.8	-44.8	177.7	-176.2	169.5	-173.5	0	0	110.5	D728 V732 R733 N734 E772	D728-E730 VanDerWaalsContact C-N 3.28Å; D728-E730 PolarHBondContact O-N 3.08Å; D728-E730 WeakPolarHBondContact OD1-CA 3.41Å; D728-E730 WeakPolarHBondContact OD1-CB 3.47Å; D728-E730 PolarHBondContact OD1-N 2.83Å; E730-V732 PolarHBondContact O-N 2.55Å; E730-R733 WeakPolarHBondContact O-CB 3.29Å; E730-R733 PolarHBondContact O-N 3.34Å; E730-N734 PolarHBondContact O-N 3.04Å; E730-N734 VanDerWaalsContact O-N 3.13Å; E730-N734 PolarHBondContact O-ND2 2.92Å; E730-E772 HydrophobicContact CB-CB 4.36Å
731	H	87.6	Confident	84.3	Confident	114 Å²	114	52.1 Å²	52.1	53%	0.528	26%	0.256	S	S	.	.	H	α-helix	trans	-61.7	-41.3	170.2	-73.1	88.9	0	0	0	112	D728 R733 N734 M735	D728-H731 IonicContact OD1-CG 3.61Å; D728-H731 PolarHBondContact OD1-N 2.92Å; D728-H731 IonicContact OD1-ND1 2.69Å; D728-H731 PolarHBondContact OD1-ND1 2.91Å; D728-H731 IonicContact OD2-CE1 2.89Å; D728-H731 PolarHBondContact OD2-CE1 2.87Å; D728-H731 IonicContact OD2-CG 2.98Å; D728-H731 IonicContact OD2-ND1 2.75Å; D728-H731 PolarHBondContact OD2-ND1 3.04Å; H731-R733 PolarHBondContact O-N 3.23Å; H731-N734 PolarHBondContact O-N 2.54Å; H731-M735 WeakPolarHBondContact O-CG 3.4Å; H731-M735 PolarHBondContact O-N 3.03Å
732	V	90.1	Very high	83.4	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.7	-39.6	176	172	0	0	0	0	112.2	I723 C727 D728 L729 E730 N734 M735 L736 F755 I777 L785	I723-V732 HydrophobicContact CD1-CB 4.46Å; I723-V732 HydrophobicContact CD1-CG1 3.67Å; I723-V732 HydrophobicContact CD1-CG2 3.96Å; I723-V732 HydrophobicContact CG2-CG2 3.66Å; C727-V732 HydrophobicContact CB-CG2 3.72Å; D728-V732 WeakPolarHBondContact O-CG2 3.5Å; D728-V732 PolarHBondContact O-N 3.16Å; D728-V732 VanDerWaalsContact O-N 3.16Å; L729-V732 PolarHBondContact O-N 3Å; E730-V732 PolarHBondContact O-N 2.55Å; V732-N734 VanDerWaalsContact C-N 3.32Å; V732-N734 PolarHBondContact O-N 3.45Å; V732-M735 PolarHBondContact O-N 3.05Å; V732-L736 HydrophobicContact CG1-CD1 3.72Å; V732-L736 HydrophobicContact CG1-CG 4.22Å; V732-L736 WeakPolarHBondContact O-CB 3.48Å; V732-L736 WeakPolarHBondContact O-CG 3.43Å; V732-L736 PolarHBondContact O-N 2.89Å; V732-F755 HydrophobicContact CB-CZ 4.15Å; V732-F755 HydrophobicContact CG1-CE1 3.85Å; V732-F755 HydrophobicContact CG1-CZ 3.85Å; V732-I777 HydrophobicContact CG1-CD1 4.31Å; V732-I777 HydrophobicContact CG2-CB 4.21Å; V732-I777 HydrophobicContact CG2-CD1 4.41Å; V732-I777 HydrophobicContact CG2-CG1 4.45Å; V732-L785 HydrophobicContact CG1-CD2 4.26Å
733	R	90.6	Very high	82.2	Confident	9 Å²	9	56.3 Å²	56.3	3%	0.034	28%	0.28	C	S	.	.	H	α-helix	trans	-58.2	-45.9	174.1	170.4	178.6	-64.6	-80.1	0.8	111.2	L729 E730 H731 L736 N737 W753 F755 E772	L729-R733 WeakPolarHBondContact O-CB 3.21Å; L729-R733 PolarHBondContact O-N 3.35Å; E730-R733 WeakPolarHBondContact O-CB 3.29Å; E730-R733 PolarHBondContact O-N 3.34Å; H731-R733 PolarHBondContact O-N 3.23Å; R733-L736 PolarHBondContact O-N 3.15Å; R733-N737 WeakPolarHBondContact O-CB 3.41Å; R733-N737 PolarHBondContact O-N 3.03Å; R733-W753 HydrophobicContact CB-CH2 4.08Å; R733-W753 HydrophobicContact CB-CZ2 4.12Å; R733-W753 HydrophobicContact CG-CH2 4.22Å; R733-W753 HydrophobicContact CG-CZ2 3.83Å; R733-W753 VanDerWaalsContact CZ-O 3.26Å; R733-W753 VanDerWaalsContact NH1-CE2 3.34Å; R733-W753 PolarHBondContact NH1-O 3.04Å; R733-W753 PolarHBondContact NH2-O 2.99Å; R733-F755 HydrophobicContact CB-CE2 4.08Å; R733-F755 HydrophobicContact CB-CZ 4.19Å; R733-E772 IonicContact CZ-OE1 3.2Å; R733-E772 IonicContact CZ-OE2 2.94Å; R733-E772 IonicContact NE-OE1 3.4Å; R733-E772 IonicContact NE-OE2 3.57Å; R733-E772 PolarHBondContact NE-OE2 3.4Å; R733-E772 IonicContact NH2-OE1 3.5Å; R733-E772 PolarHBondContact NH2-OE1 2.97Å; R733-E772 IonicContact NH2-OE2 2.69Å; R733-E772 PolarHBondContact NH2-OE2 3.06Å
734	N	87.9	Confident	80.6	Confident	86 Å²	86	64.8 Å²	64.8	46%	0.46	32%	0.324	S	S	.	.	H	α-helix	trans	-62.2	-47.3	179.5	-65.2	-27.8	0	0	0	111	E730 H731 V732 L736 N737 T738	E730-N734 PolarHBondContact O-N 3.04Å; E730-N734 VanDerWaalsContact O-N 3.13Å; E730-N734 PolarHBondContact O-ND2 2.92Å; H731-N734 PolarHBondContact O-N 2.54Å; V732-N734 VanDerWaalsContact C-N 3.32Å; V732-N734 PolarHBondContact O-N 3.45Å; N734-L736 VanDerWaalsContact C-N 3.32Å; N734-L736 PolarHBondContact O-N 2.88Å; N734-N737 PolarHBondContact O-N 2.92Å; N734-T738 PolarHBondContact O-N 2.8Å; N734-T738 VanDerWaalsContact O-N 3.11Å; N734-T738 PolarHBondContact O-OG1 3.43Å
735	M	87.1	Confident	79.2	Confident	74 Å²	74	64.7 Å²	64.7	37%	0.365	33%	0.332	S	S	.	.	H	α-helix	trans	-59.5	-38.1	175	-67.7	174.7	69.3	0	0	113.5	I721 H731 V732 K739	I721-M735 HydrophobicContact CD1-CB 4.46Å; H731-M735 WeakPolarHBondContact O-CG 3.4Å; H731-M735 PolarHBondContact O-N 3.03Å; V732-M735 PolarHBondContact O-N 3.05Å; M735-K739 WeakPolarHBondContact O-CG 3.4Å; M735-K739 PolarHBondContact O-N 3.21Å
736	L	87.9	Confident	78.2	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-71.2	-45.2	178.3	-76.7	169.5	0	0	0	111.9	I693 I721 V732 R733 N734 T738 K739 F740 W753 F755 L785	I693-L736 HydrophobicContact CD1-CD2 3.51Å; I693-L736 HydrophobicContact CG1-CD2 4.13Å; I721-L736 HydrophobicContact CD1-CD2 3.77Å; I721-L736 HydrophobicContact CD1-CG 4.2Å; I721-L736 HydrophobicContact CG2-CD2 4.45Å; V732-L736 HydrophobicContact CG1-CD1 3.72Å; V732-L736 HydrophobicContact CG1-CG 4.22Å; V732-L736 WeakPolarHBondContact O-CB 3.48Å; V732-L736 WeakPolarHBondContact O-CG 3.43Å; V732-L736 PolarHBondContact O-N 2.89Å; R733-L736 PolarHBondContact O-N 3.15Å; N734-L736 VanDerWaalsContact C-N 3.32Å; N734-L736 PolarHBondContact O-N 2.88Å; L736-T738 PolarHBondContact O-N 3.08Å; L736-K739 PolarHBondContact O-N 3.33Å; L736-K739 VanDerWaalsContact O-N 3.16Å; L736-F740 HydrophobicContact CB-CE2 3.93Å; L736-F740 HydrophobicContact CB-CZ 4.14Å; L736-F740 HydrophobicContact CD2-CE1 4.45Å; L736-F740 HydrophobicContact CD2-CZ 4.02Å; L736-F740 VanDerWaalsContact O-CD2 3.26Å; L736-F740 WeakPolarHBondContact O-CD2 3.33Å; L736-F740 WeakPolarHBondContact O-CG 3.24Å; L736-F740 PolarHBondContact O-N 2.87Å; L736-W753 HydrophobicContact CB-CH2 4.48Å; L736-W753 HydrophobicContact CB-CZ2 4.09Å; L736-W753 HydrophobicContact CD1-CH2 3.69Å; L736-W753 HydrophobicContact CD1-CZ2 4.12Å; L736-F755 HydrophobicContact CD1-CE1 4.13Å; L736-F755 HydrophobicContact CD1-CZ 4.41Å; L736-L785 HydrophobicContact CD1-CD2 4.03Å
737	N	86.3	Confident	77.5	Confident	46 Å²	46	65.1 Å²	65.1	25%	0.246	34%	0.336	C	S	.	.	H	α-helix	trans	-59.6	-47.6	178.4	-75.3	-6.3	0	0	0	111.2	R733 N734 K739 F740 E741 W753	R733-N737 WeakPolarHBondContact O-CB 3.41Å; R733-N737 PolarHBondContact O-N 3.03Å; N734-N737 PolarHBondContact O-N 2.92Å; N737-K739 VanDerWaalsContact C-N 3.3Å; N737-K739 PolarHBondContact O-N 2.87Å; N737-F740 PolarHBondContact O-N 3.49Å; N737-E741 WeakPolarHBondContact O-CG 3.41Å; N737-E741 PolarHBondContact O-N 3.19Å; N737-W753 PolarHBondContact OD1-NE1 2.83Å
738	T	83.5	Confident	76.6	Confident	67 Å²	67	73.6 Å²	73.6	41%	0.411	37%	0.37	S	S	.	.	H	α-helix	trans	-55.9	-44.3	174.2	-56.9	0	0	0	0	111.6	N734 L736 F740 E741 E742	N734-T738 PolarHBondContact O-N 2.8Å; N734-T738 VanDerWaalsContact O-N 3.11Å; N734-T738 PolarHBondContact O-OG1 3.43Å; L736-T738 PolarHBondContact O-N 3.08Å; T738-F740 VanDerWaalsContact C-N 3.33Å; T738-F740 PolarHBondContact O-N 3.41Å; T738-E741 PolarHBondContact O-N 3.21Å; T738-E742 HydrophobicContact CG2-CG 4.14Å; T738-E742 WeakPolarHBondContact O-CB 3.36Å; T738-E742 VanDerWaalsContact O-CG 3.31Å; T738-E742 WeakPolarHBondContact O-CG 3.08Å; T738-E742 PolarHBondContact O-N 3.22Å
739	K	80.3	Confident	75.7	Confident	84 Å²	84	73.3 Å²	73.3	37%	0.365	37%	0.37	S	S	.	.	H	α-helix	trans	-65.6	-30.5	176.3	-80.2	176.8	171.3	-64.6	0	114.4	I721 M735 L736 N737 S743	I721-K739 HydrophobicContact CD1-CD 3.78Å; I721-K739 HydrophobicContact CG1-CD 4.14Å; M735-K739 WeakPolarHBondContact O-CG 3.4Å; M735-K739 PolarHBondContact O-N 3.21Å; L736-K739 PolarHBondContact O-N 3.33Å; L736-K739 VanDerWaalsContact O-N 3.16Å; N737-K739 VanDerWaalsContact C-N 3.3Å; N737-K739 PolarHBondContact O-N 2.87Å; K739-S743 WeakPolarHBondContact O-CB 3.36Å; K739-S743 PolarHBondContact O-N 3.26Å
740	F	80.4	Confident	74.9	Confident	27 Å²	27	73.8 Å²	73.8	12%	0.118	37%	0.373	C	S	.	.	H	α-helix	trans	-77.9	-25.1	175	-58.8	-31.1	0	0	0	112.6	L718 L736 N737 T738 Y746 V749 I787	L718-F740 HydrophobicContact CD1-CE1 4.16Å; L718-F740 HydrophobicContact CD1-CZ 4.23Å; L736-F740 HydrophobicContact CB-CE2 3.93Å; L736-F740 HydrophobicContact CB-CZ 4.14Å; L736-F740 HydrophobicContact CD2-CE1 4.45Å; L736-F740 HydrophobicContact CD2-CZ 4.02Å; L736-F740 VanDerWaalsContact O-CD2 3.26Å; L736-F740 WeakPolarHBondContact O-CD2 3.33Å; L736-F740 WeakPolarHBondContact O-CG 3.24Å; L736-F740 PolarHBondContact O-N 2.87Å; N737-F740 PolarHBondContact O-N 3.49Å; T738-F740 VanDerWaalsContact C-N 3.33Å; T738-F740 PolarHBondContact O-N 3.41Å; F740-Y746 AromaticContact CD1-CD1 3.53Å; F740-Y746 HydrophobicContact CD1-CD1 3.53Å; F740-Y746 HydrophobicContact CD1-CE1 4.17Å; F740-Y746 HydrophobicContact CD1-CG 4.02Å; F740-Y746 AromaticContact CE1-CD1 3.59Å; F740-Y746 HydrophobicContact CE1-CD1 3.59Å; F740-Y746 AromaticContact CE1-CE1 3.92Å; F740-Y746 HydrophobicContact CE1-CE1 3.92Å; F740-V749 HydrophobicContact CD2-CB 4.34Å; F740-V749 HydrophobicContact CD2-CG2 3.99Å; F740-V749 HydrophobicContact CE2-CB 4.45Å; F740-V749 HydrophobicContact CE2-CG2 3.97Å; F740-V749 HydrophobicContact CG-CG2 4.34Å; F740-V749 HydrophobicContact CZ-CG2 4.3Å; F740-I787 HydrophobicContact CE2-CD1 4.35Å; F740-I787 HydrophobicContact CZ-CD1 4.11Å
741	E	73.4	Confident	74	Confident	158 Å²	158	77.1 Å²	77.1	74%	0.738	39%	0.389	S	S	*	.	H	α-helix	trans	-83.8	-41	175.8	-71.7	172.9	179.9	0	0	112.3	N737 T738	N737-E741 WeakPolarHBondContact O-CG 3.41Å; N737-E741 PolarHBondContact O-N 3.19Å; T738-E741 PolarHBondContact O-N 3.21Å
742	E	68.3	Low	73.5	Confident	148 Å²	148	76.3 Å²	76.3	69%	0.692	39%	0.389	S	S	*	.	H	α-helix	trans	-71.2	-30.9	179.3	-72.5	177	161	0	0	113.6	T738	T738-E742 HydrophobicContact CG2-CG 4.14Å; T738-E742 WeakPolarHBondContact O-CB 3.36Å; T738-E742 VanDerWaalsContact O-CG 3.31Å; T738-E742 WeakPolarHBondContact O-CG 3.08Å; T738-E742 PolarHBondContact O-N 3.22Å
743	S	61.8	Low	73.4	Confident	39 Å²	39	76.4 Å²	76.4	27%	0.273	39%	0.389	S	S	.	.			trans	-106.5	110.8	-168.4	-171.4	0	0	0	0	114.5	K739 S745 Y746	K739-S743 WeakPolarHBondContact O-CB 3.36Å; K739-S743 PolarHBondContact O-N 3.26Å; S743-S745 PolarHBondContact O-N 3.42Å; S743-S745 PolarHBondContact OG-N 2.91Å; S743-S745 PolarHBondContact OG-OG 3.04Å; S743-Y746 PolarHBondContact O-N 3.3Å; S743-Y746 VanDerWaalsContact O-N 3.11Å; S743-Y746 WeakPolarHBondContact OG-CD2 3.5Å
744	I	51.8	Low	73.4	Confident	179 Å²	179	76.4 Å²	76.4	92%	0.918	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-16.7	172.5	-46.8	173.7	0	0	0	112.3
745	S	51.2	Low	73.5	Confident	80 Å²	80	72.3 Å²	72.3	56%	0.559	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-12.1	179.1	78.5	0	0	0	0	114.9	S743	S743-S745 PolarHBondContact O-N 3.42Å; S743-S745 PolarHBondContact OG-N 2.91Å; S743-S745 PolarHBondContact OG-OG 3.04Å
746	Y	53.6	Low	73.6	Confident	41 Å²	41	68.8 Å²	68.8	16%	0.161	35%	0.351	C	S	.	.	S	Bend	trans	-95.3	129.6	-177	-77.5	-106.7	0	0	0	110.7	I693 L718 F740 S743 K748	I693-Y746 HydrophobicContact CD1-CE1 4.34Å; L718-Y746 HydrophobicContact CB-CD1 3.95Å; L718-Y746 HydrophobicContact CB-CE1 3.92Å; L718-Y746 VanDerWaalsContact O-CE1 3.31Å; L718-Y746 WeakPolarHBondContact O-CE1 3.38Å; F740-Y746 AromaticContact CD1-CD1 3.53Å; F740-Y746 HydrophobicContact CD1-CD1 3.53Å; F740-Y746 HydrophobicContact CD1-CE1 4.17Å; F740-Y746 HydrophobicContact CD1-CG 4.02Å; F740-Y746 AromaticContact CE1-CD1 3.59Å; F740-Y746 HydrophobicContact CE1-CD1 3.59Å; F740-Y746 AromaticContact CE1-CE1 3.92Å; F740-Y746 HydrophobicContact CE1-CE1 3.92Å; S743-Y746 PolarHBondContact O-N 3.3Å; S743-Y746 VanDerWaalsContact O-N 3.11Å; S743-Y746 WeakPolarHBondContact OG-CD2 3.5Å; Y746-K748 PolarHBondContact O-N 3.09Å
747	P	59.6	Low	73.4	Confident	66 Å²	66	69.1 Å²	69.1	43%	0.429	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-57.1	133.8	167.3	-22.5	32.4	0	0	0	110.5	L718 V749	L718-P747 HydrophobicContact CD2-CG 4.24Å; P747-V749 WeakPolarHBondContact O-CG2 3.28Å; P747-V749 PolarHBondContact O-N 3.32Å
748	K	62.2	Low	73.1	Confident	198 Å²	198	68 Å²	68	86%	0.861	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-54.4	131.1	174.5	-69.4	-168.3	175.7	-171.3	0	110.5	R695 Y746	R695-K748 PolarHBondContact NH2-O 3.31Å; R695-K748 VanDerWaalsContact NH2-O 3.17Å; Y746-K748 PolarHBondContact O-N 3.09Å
749	V	69.5	Low	72.7	Confident	24 Å²	24	66.2 Å²	66.2	15%	0.145	34%	0.338	C	S	.	.			trans	-104.2	142.9	178.2	-172.7	0	0	0	0	108.2	L718 F740 P747 W753 I787 D789	L718-V749 HydrophobicContact CD1-CG2 4.22Å; F740-V749 HydrophobicContact CD2-CB 4.34Å; F740-V749 HydrophobicContact CD2-CG2 3.99Å; F740-V749 HydrophobicContact CE2-CB 4.45Å; F740-V749 HydrophobicContact CE2-CG2 3.97Å; F740-V749 HydrophobicContact CG-CG2 4.34Å; F740-V749 HydrophobicContact CZ-CG2 4.3Å; P747-V749 WeakPolarHBondContact O-CG2 3.28Å; P747-V749 PolarHBondContact O-N 3.32Å; V749-W753 HydrophobicContact CG1-CB 3.62Å; V749-W753 VanDerWaalsContact CG1-CD1 3.47Å; V749-W753 HydrophobicContact CG1-CG 3.66Å; V749-I787 HydrophobicContact CG1-CD1 4.05Å; V749-I787 HydrophobicContact CG2-CD1 4.34Å; V749-D789 WeakPolarHBondContact CA-OD2 3.49Å; V749-D789 WeakPolarHBondContact CG1-OD2 3.43Å
750	S	71.4	Confident	72.1	Confident	11 Å²	11	62.4 Å²	62.4	8%	0.077	32%	0.322	C	S	.	.			trans	-57.3	140	176.6	-177.3	0	0	0	0	112.6	D752 W753 D789 E791	S750-D752 PolarHBondContact O-N 3.01Å; S750-D752 VanDerWaalsContact O-N 3.1Å; S750-W753 WeakPolarHBondContact O-CB 3.2Å; S750-W753 PolarHBondContact O-N 3.35Å; S750-D789 VanDerWaalsContact CB-OD1 3.23Å; S750-D789 WeakPolarHBondContact CB-OD1 3.33Å; S750-D789 PolarHBondContact N-OD2 3.45Å; S750-E791 VanDerWaalsContact CA-OE2 3.24Å; S750-E791 WeakPolarHBondContact CA-OE2 3.34Å; S750-E791 WeakPolarHBondContact CB-OE2 3.46Å; S750-E791 VanDerWaalsContact OG-CD 3.31Å; S750-E791 WeakPolarHBondContact OG-CG 3.43Å; S750-E791 PolarHBondContact OG-OE2 2.92Å
751	Q	69.2	Low	71.3	Confident	168 Å²	168	62.2 Å²	62.2	79%	0.785	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.5	-178.5	-70.7	-171.1	-16.8	0	0	114
752	D	77.4	Confident	70.7	Confident	98 Å²	98	58.5 Å²	58.5	52%	0.524	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	27.3	177.5	-75.3	-47	0	0	0	113.6	S750 R769 H790	S750-D752 PolarHBondContact O-N 3.01Å; S750-D752 VanDerWaalsContact O-N 3.1Å; D752-R769 IonicContact OD1-NH1 3.15Å; D752-R769 PolarHBondContact OD1-NH1 2.89Å; D752-H790 PolarHBondContact O-CD2 3.41Å
753	W	88	Confident	70.8	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.008	29%	0.289	C	S	.	.			trans	-54.7	144.6	170.2	71	-103.4	0	0	0	111.7	R733 L736 N737 V749 S750 F755 I787 L788	R733-W753 HydrophobicContact CB-CH2 4.08Å; R733-W753 HydrophobicContact CB-CZ2 4.12Å; R733-W753 HydrophobicContact CG-CH2 4.22Å; R733-W753 HydrophobicContact CG-CZ2 3.83Å; R733-W753 VanDerWaalsContact CZ-O 3.26Å; R733-W753 VanDerWaalsContact NH1-CE2 3.34Å; R733-W753 PolarHBondContact NH1-O 3.04Å; R733-W753 PolarHBondContact NH2-O 2.99Å; L736-W753 HydrophobicContact CB-CH2 4.48Å; L736-W753 HydrophobicContact CB-CZ2 4.09Å; L736-W753 HydrophobicContact CD1-CH2 3.69Å; L736-W753 HydrophobicContact CD1-CZ2 4.12Å; N737-W753 PolarHBondContact OD1-NE1 2.83Å; V749-W753 HydrophobicContact CG1-CB 3.62Å; V749-W753 VanDerWaalsContact CG1-CD1 3.47Å; V749-W753 HydrophobicContact CG1-CG 3.66Å; S750-W753 WeakPolarHBondContact O-CB 3.2Å; S750-W753 PolarHBondContact O-N 3.35Å; W753-F755 HydrophobicContact CH2-CD1 4.36Å; W753-F755 HydrophobicContact CH2-CD2 4.36Å; W753-F755 AromaticContact CH2-CE1 3.74Å; W753-F755 HydrophobicContact CH2-CE1 3.74Å; W753-F755 AromaticContact CH2-CE2 3.74Å; W753-F755 HydrophobicContact CH2-CE2 3.74Å; W753-F755 AromaticContact CH2-CZ 3.41Å; W753-F755 HydrophobicContact CH2-CZ 3.41Å; W753-F755 VanDerWaalsContact CH2-CZ 3.41Å; W753-F755 AromaticContact CZ3-CD1 3.85Å; W753-F755 HydrophobicContact CZ3-CD1 3.85Å; W753-F755 AromaticContact CZ3-CD2 3.88Å; W753-F755 HydrophobicContact CZ3-CD2 3.88Å; W753-F755 AromaticContact CZ3-CE1 3.71Å; W753-F755 HydrophobicContact CZ3-CE1 3.71Å; W753-F755 AromaticContact CZ3-CE2 3.73Å; W753-F755 HydrophobicContact CZ3-CE2 3.73Å; W753-F755 AromaticContact CZ3-CG 3.95Å; W753-F755 HydrophobicContact CZ3-CG 3.95Å; W753-F755 AromaticContact CZ3-CZ 3.67Å; W753-F755 HydrophobicContact CZ3-CZ 3.67Å; W753-I787 HydrophobicContact CE3-CB 3.89Å; W753-I787 HydrophobicContact CE3-CG2 3.76Å; W753-I787 HydrophobicContact CH2-CG2 4.34Å; W753-I787 HydrophobicContact CZ3-CB 4.27Å; W753-I787 HydrophobicContact CZ3-CG2 3.62Å; W753-L788 CarbonylContact C-O 3.6Å; W753-L788 VanDerWaalsContact CA-O 3.28Å; W753-L788 WeakPolarHBondContact CA-O 3.38Å
754	C	89.8	Confident	71.4	Confident	8 Å²	8	53.2 Å²	53.2	5%	0.054	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	152.3	-177.7	-65.5	0	0	0	0	112	R766 I787 L788	C754-R766 HydrophobicContact CB-CG 3.6Å; C754-R766 PolarHBondContact SG-NH1 3.42Å; C754-I787 WeakPolarHBondContact O-CA 3.41Å; C754-L788 HydrophobicContact CB-CB 4.41Å; C754-L788 PolarHBondContact N-O 2.93Å; C754-L788 PolarHBondContact O-N 2.76Å
755	F	91.4	Very high	72.7	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	153.2	170.6	-68.6	-83	0	0	0	112.2	L729 V732 R733 L736 W753 R766 I767 E772 I780 L785	L729-F755 HydrophobicContact CB-CD2 3.96Å; L729-F755 HydrophobicContact CB-CE2 3.68Å; L729-F755 HydrophobicContact CB-CZ 4.1Å; L729-F755 HydrophobicContact CD1-CB 4.19Å; L729-F755 HydrophobicContact CD1-CD2 4.03Å; L729-F755 HydrophobicContact CD1-CG 4.05Å; L729-F755 HydrophobicContact CD2-CD1 4.37Å; L729-F755 HydrophobicContact CD2-CE1 4.26Å; L729-F755 HydrophobicContact CD2-CZ 4.35Å; L729-F755 HydrophobicContact CG-CD2 4.45Å; L729-F755 HydrophobicContact CG-CE2 4.49Å; L729-F755 VanDerWaalsContact O-CE2 3.23Å; L729-F755 WeakPolarHBondContact O-CE2 3.12Å; L729-F755 WeakPolarHBondContact O-CZ 3.35Å; V732-F755 HydrophobicContact CB-CZ 4.15Å; V732-F755 HydrophobicContact CG1-CE1 3.85Å; V732-F755 HydrophobicContact CG1-CZ 3.85Å; R733-F755 HydrophobicContact CB-CE2 4.08Å; R733-F755 HydrophobicContact CB-CZ 4.19Å; L736-F755 HydrophobicContact CD1-CE1 4.13Å; L736-F755 HydrophobicContact CD1-CZ 4.41Å; W753-F755 HydrophobicContact CH2-CD1 4.36Å; W753-F755 HydrophobicContact CH2-CD2 4.36Å; W753-F755 AromaticContact CH2-CE1 3.74Å; W753-F755 HydrophobicContact CH2-CE1 3.74Å; W753-F755 AromaticContact CH2-CE2 3.74Å; W753-F755 HydrophobicContact CH2-CE2 3.74Å; W753-F755 AromaticContact CH2-CZ 3.41Å; W753-F755 HydrophobicContact CH2-CZ 3.41Å; W753-F755 VanDerWaalsContact CH2-CZ 3.41Å; W753-F755 AromaticContact CZ3-CD1 3.85Å; W753-F755 HydrophobicContact CZ3-CD1 3.85Å; W753-F755 AromaticContact CZ3-CD2 3.88Å; W753-F755 HydrophobicContact CZ3-CD2 3.88Å; W753-F755 AromaticContact CZ3-CE1 3.71Å; W753-F755 HydrophobicContact CZ3-CE1 3.71Å; W753-F755 AromaticContact CZ3-CE2 3.73Å; W753-F755 HydrophobicContact CZ3-CE2 3.73Å; W753-F755 AromaticContact CZ3-CG 3.95Å; W753-F755 HydrophobicContact CZ3-CG 3.95Å; W753-F755 AromaticContact CZ3-CZ 3.67Å; W753-F755 HydrophobicContact CZ3-CZ 3.67Å; F755-R766 WeakPolarHBondContact O-CA 3.49Å; F755-I767 HydrophobicContact CB-CB 4.4Å; F755-I767 PolarHBondContact O-N 2.88Å; F755-E772 HydrophobicContact CD2-CG 4.05Å; F755-E772 WeakPolarHBondContact CD2-OE1 3.3Å; F755-E772 HydrophobicContact CE2-CG 4.31Å; F755-I780 HydrophobicContact CB-CD1 4.07Å; F755-I780 HydrophobicContact CD1-CD1 3.75Å; F755-I780 HydrophobicContact CG-CD1 4.16Å; F755-L785 HydrophobicContact CD1-CD1 3.96Å; F755-L785 HydrophobicContact CE1-CD1 4.17Å; F755-L785 HydrophobicContact CE1-CD2 4.49Å
756	I	87.9	Confident	74.3	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.6	171.7	-40.5	-177.8	0	0	0	110.7	V696 Y701 S758 Y764 F765 Y786 L788	V696-I756 HydrophobicContact CB-CD1 4.07Å; V696-I756 HydrophobicContact CG1-CD1 4.4Å; V696-I756 HydrophobicContact CG2-CD1 4.29Å; Y701-I756 HydrophobicContact CD2-CD1 4.08Å; Y701-I756 HydrophobicContact CE2-CD1 4.46Å; Y701-I756 HydrophobicContact CE2-CG2 3.99Å; I756-S758 PolarHBondContact O-N 3.03Å; I756-Y764 HydrophobicContact CG2-CD1 3.66Å; I756-Y764 HydrophobicContact CG2-CG 4.08Å; I756-F765 CarbonylContact C-O 3.55Å; I756-F765 WeakPolarHBondContact CA-O 3.16Å; I756-Y786 PolarHBondContact N-O 3.12Å; I756-L788 HydrophobicContact CD1-CB 3.8Å; I756-L788 HydrophobicContact CD1-CD1 4.31Å; I756-L788 HydrophobicContact CG1-CB 3.81Å
757	D	85.3	Confident	75.8	Confident	6 Å²	6	45 Å²	45	3%	0.032	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	111.4	169	-170.8	-39.3	0	0	0	109.9	K337 C759 T760 Y764 F765 I767 I780	K337-D757 IonicContact NZ-OD2 3.68Å; K337-D757 PolarHBondContact NZ-OD2 2.96Å; K337-D757 VanDerWaalsContact NZ-OD2 3.14Å; D757-C759 PolarHBondContact OD1-N 3.12Å; D757-T760 WeakPolarHBondContact OD1-CB 3.31Å; D757-T760 PolarHBondContact OD1-N 3Å; D757-T760 PolarHBondContact OD1-OG1 3.42Å; D757-T760 WeakPolarHBondContact OD2-CB 3.24Å; D757-T760 PolarHBondContact OD2-OG1 3.28Å; D757-Y764 WeakPolarHBondContact O-CA 3.41Å; D757-F765 HydrophobicContact CB-CB 4.33Å; D757-F765 PolarHBondContact N-O 3.38Å; D757-F765 PolarHBondContact O-N 3.25Å; D757-I767 HydrophobicContact CB-CD1 4.39Å; D757-I780 HydrophobicContact CB-CB 4.47Å; D757-I780 HydrophobicContact CB-CG2 4.02Å
758	S	79.8	Confident	76.8	Confident	22 Å²	22	44.3 Å²	44.3	15%	0.154	22%	0.217	C	C	.	.			trans	-92.4	-7.7	178.1	75.9	0	0	0	0	113.6	K708 I756 Y764 I780	K708-S758 PolarHBondContact NZ-O 3.14Å; I756-S758 PolarHBondContact O-N 3.03Å; S758-Y764 VanDerWaalsContact CB-CE1 3.41Å; S758-I780 WeakPolarHBondContact CB-O 3.41Å; S758-I780 PolarHBondContact N-O 2.88Å; S758-I780 VanDerWaalsContact N-O 3.13Å; S758-I780 PolarHBondContact OG-O 2.95Å
759	C	74.3	Confident	77.8	Confident	30 Å²	30	41.7 Å²	41.7	20%	0.203	20%	0.202	C	C	.	.	S	Bend	trans	-111.7	-30.8	-159.2	-77.6	0	0	0	0	114.3	K393 D757 D779 I780	K393-C759 PolarHBondContact NZ-SG 3.07Å; D757-C759 PolarHBondContact OD1-N 3.12Å; C759-D779 WeakPolarHBondContact CB-O 3.48Å; C759-I780 VanDerWaalsContact SG-C 3.58Å; C759-I780 PolarHBondContact SG-O 3.43Å; C759-I780 VanDerWaalsContact SG-O 3.4Å
760	T	68.1	Low	78.3	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.031	23%	0.228	C	C	.	.	S	Bend	trans	-84.7	-31	-154.7	-61.8	0	0	0	0	116	I184 L276 I335 K337 D757	I184-T760 HydrophobicContact CG2-CG2 3.93Å; L276-T760 WeakPolarHBondContact CD1-O 3.18Å; L276-T760 HydrophobicContact CD2-CG2 4.15Å; I335-T760 HydrophobicContact CD1-CG2 4.46Å; I335-T760 HydrophobicContact CG2-CG2 4.49Å; K337-T760 WeakPolarHBondContact CE-OG1 3.48Å; K337-T760 PolarHBondContact NZ-OG1 3.02Å; D757-T760 WeakPolarHBondContact OD1-CB 3.31Å; D757-T760 PolarHBondContact OD1-N 3Å; D757-T760 PolarHBondContact OD1-OG1 3.42Å; D757-T760 WeakPolarHBondContact OD2-CB 3.24Å; D757-T760 PolarHBondContact OD2-OG1 3.28Å
761	A	64	Low	78.7	Confident	22 Å²	22	45.4 Å²	45.4	18%	0.182	23%	0.231	C	C	.	.	S	Bend	trans	-143.3	-175.3	176.5	0	0	0	0	0	109.7	I184 K708 H763 F765	I184-A761 HydrophobicContact CD1-CB 3.81Å; K708-A761 WeakPolarHBondContact CE-O 3.4Å; K708-A761 PolarHBondContact NZ-O 3.42Å; A761-H763 PolarHBondContact O-N 3.13Å; A761-F765 HydrophobicContact CB-CE2 3.92Å
762	E	60.8	Low	79.5	Confident	81 Å²	81	37.5 Å²	37.5	38%	0.379	19%	0.194	S	C	.	.	S	Bend	trans	-65.5	-15.5	-179.2	-73.5	177.3	-166	0	0	114.4	K279 P331 K708	K279-E762 WeakPolarHBondContact CE-OE1 3.3Å; K279-E762 WeakPolarHBondContact CE-OE2 3.43Å; K279-E762 IonicContact NZ-OE1 3.48Å; K279-E762 PolarHBondContact NZ-OE1 2.87Å; K279-E762 IonicContact NZ-OE2 3.2Å; K279-E762 PolarHBondContact NZ-OE2 3.41Å; P331-E762 WeakPolarHBondContact CB-OE1 3.43Å; K708-E762 WeakPolarHBondContact CD-O 3.31Å; K708-E762 VanDerWaalsContact CE-O 3.26Å; K708-E762 WeakPolarHBondContact CE-O 3.42Å; K708-E762 WeakPolarHBondContact CG-O 3.45Å
763	H	69.1	Low	79.7	Confident	65 Å²	65	37.6 Å²	37.6	30%	0.301	19%	0.191	S	C	.	.	S	Bend	trans	-115.7	162.6	-177.7	-47.3	-40	0	0	0	110.7	H705 Y706 K708 A761 F765	H705-H763 WeakPolarHBondContact O-CA 3.49Å; H705-H763 WeakPolarHBondContact O-CB 3.45Å; Y706-H763 WeakPolarHBondContact CA-ND1 3.36Å; Y706-H763 PolarHBondContact O-ND1 3.07Å; K708-H763 WeakPolarHBondContact CE-O 3.37Å; A761-H763 PolarHBondContact O-N 3.13Å; H763-F765 HydrophobicContact CB-CE2 3.95Å; H763-F765 HydrophobicContact CB-CZ 4.42Å; H763-F765 WeakPolarHBondContact O-CD2 3.4Å; H763-F765 WeakPolarHBondContact O-CE2 3.48Å
764	Y	75.8	Confident	79.2	Confident	10 Å²	10	39.7 Å²	39.7	4%	0.039	20%	0.202	C	C	.	.			trans	-81.4	140	171.1	-79.6	-76.6	0	0	0	110.6	Y701 H705 K708 L711 I756 D757 S758 Y786	Y701-Y764 PolarHBondContact OH-O 3.43Å; H705-Y764 PolarHBondContact O-N 2.93Å; K708-Y764 HydrophobicContact CB-CE2 3.95Å; K708-Y764 HydrophobicContact CD-CE2 4.43Å; K708-Y764 HydrophobicContact CG-CD2 3.85Å; K708-Y764 HydrophobicContact CG-CE2 3.66Å; L711-Y764 HydrophobicContact CB-CD2 4.05Å; L711-Y764 HydrophobicContact CB-CE2 3.77Å; L711-Y764 HydrophobicContact CD2-CD1 4.33Å; L711-Y764 HydrophobicContact CD2-CD2 3.28Å; L711-Y764 HydrophobicContact CD2-CE2 3.6Å; L711-Y764 HydrophobicContact CD2-CG 3.7Å; L711-Y764 HydrophobicContact CG-CD2 4.28Å; L711-Y764 HydrophobicContact CG-CE2 4.26Å; I756-Y764 HydrophobicContact CG2-CD1 3.66Å; I756-Y764 HydrophobicContact CG2-CG 4.08Å; D757-Y764 WeakPolarHBondContact O-CA 3.41Å; S758-Y764 VanDerWaalsContact CB-CE1 3.41Å; Y764-Y786 HydrophobicContact CE1-CD1 4.02Å; Y764-Y786 AromaticContact CE1-CD2 3.9Å; Y764-Y786 HydrophobicContact CE1-CD2 3.9Å; Y764-Y786 HydrophobicContact CE1-CE1 4.1Å; Y764-Y786 HydrophobicContact CE1-CE2 4Å; Y764-Y786 AromaticContact CE1-CG 3.92Å; Y764-Y786 HydrophobicContact CE1-CG 3.92Å; Y764-Y786 AromaticContact CZ-CE1 3.91Å; Y764-Y786 AromaticContact CZ-CZ 3.89Å; Y764-Y786 WeakPolarHBondContact OH-CE1 3.44Å; Y764-Y786 PolarHBondContact OH-OH 2.92Å
765	F	78.5	Confident	78.9	Confident	38 Å²	38	39.6 Å²	39.6	17%	0.167	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	122.2	179.1	-68.8	-100.2	0	0	0	111.6	I756 D757 A761 H763 I767	I756-F765 CarbonylContact C-O 3.55Å; I756-F765 WeakPolarHBondContact CA-O 3.16Å; D757-F765 HydrophobicContact CB-CB 4.33Å; D757-F765 PolarHBondContact N-O 3.38Å; D757-F765 PolarHBondContact O-N 3.25Å; A761-F765 HydrophobicContact CB-CE2 3.92Å; H763-F765 HydrophobicContact CB-CE2 3.95Å; H763-F765 HydrophobicContact CB-CZ 4.42Å; H763-F765 WeakPolarHBondContact O-CD2 3.4Å; H763-F765 WeakPolarHBondContact O-CE2 3.48Å; F765-I767 PolarHBondContact O-N 2.99Å
766	R	85.1	Confident	78.5	Confident	84 Å²	84	42.2 Å²	42.2	32%	0.317	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	133.9	165.5	-171.4	177.6	105.4	153.1	0.4	110.2	Y701 C754 F755 D768 L788 H790	Y701-R766 PolarHBondContact OH-N 2.96Å; C754-R766 HydrophobicContact CB-CG 3.6Å; C754-R766 PolarHBondContact SG-NH1 3.42Å; F755-R766 WeakPolarHBondContact O-CA 3.49Å; R766-D768 IonicContact CZ-OD1 2.68Å; R766-D768 IonicContact NE-OD1 2.68Å; R766-D768 PolarHBondContact NE-OD1 2.98Å; R766-D768 IonicContact NH2-OD1 2.81Å; R766-D768 PolarHBondContact NH2-OD1 3.25Å; R766-L788 HydrophobicContact CB-CD2 4.23Å; R766-L788 HydrophobicContact CG-CD2 4.08Å; R766-H790 PolarHBondContact NH1-CE1 3.11Å; R766-H790 PolarHBondContact NH1-NE2 2.87Å
767	I	84.1	Confident	78.4	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.036	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-95.5	131.7	164.1	-67.9	171.9	0	0	0	107.6	L729 F755 D757 F765 Q771 E772 H775 I780	L729-I767 HydrophobicContact CD1-CD1 3.67Å; L729-I767 HydrophobicContact CD1-CG2 4.45Å; F755-I767 HydrophobicContact CB-CB 4.4Å; F755-I767 PolarHBondContact O-N 2.88Å; D757-I767 HydrophobicContact CB-CD1 4.39Å; F765-I767 PolarHBondContact O-N 2.99Å; I767-Q771 HydrophobicContact CG2-CB 4.18Å; I767-E772 HydrophobicContact CG2-CG 4.18Å; I767-H775 HydrophobicContact CD1-CB 4.41Å; I767-H775 WeakPolarHBondContact CD1-ND1 3.2Å; I767-I780 HydrophobicContact CD1-CG2 3.45Å; I767-I780 VanDerWaalsContact CD1-CG2 3.45Å
768	D	82.2	Confident	78.2	Confident	50 Å²	50	42.6 Å²	42.6	27%	0.267	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-84.2	141.2	178.3	-64	-44.5	0	0	0	110	R766 A770 Q771	R766-D768 IonicContact CZ-OD1 2.68Å; R766-D768 IonicContact NE-OD1 2.68Å; R766-D768 PolarHBondContact NE-OD1 2.98Å; R766-D768 IonicContact NH2-OD1 2.81Å; R766-D768 PolarHBondContact NH2-OD1 3.25Å; D768-A770 PolarHBondContact O-N 2.66Å; D768-Q771 WeakPolarHBondContact O-CB 3.37Å; D768-Q771 PolarHBondContact O-N 2.83Å
769	R	82.6	Confident	78.1	Confident	143 Å²	143	41.6 Å²	41.6	54%	0.54	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-49	-35.5	-171.6	-169.8	173.6	176.9	167.9	-0.5	114.7	D752 Q771 E772	D752-R769 IonicContact OD1-NH1 3.15Å; D752-R769 PolarHBondContact OD1-NH1 2.89Å; R769-Q771 PolarHBondContact O-N 3.4Å; R769-E772 PolarHBondContact O-N 3.1Å
770	A	80.3	Confident	78.5	Confident	83 Å²	83	40.2 Å²	40.2	69%	0.686	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-67.3	-12.8	177.4	0	0	0	0	0	114.9	D768 H773	D768-A770 PolarHBondContact O-N 2.66Å; A770-H773 PolarHBondContact O-CE1 3.28Å; A770-H773 PolarHBondContact O-ND1 3.17Å
771	Q	79.8	Confident	79.1	Confident	30 Å²	30	40 Å²	40	14%	0.14	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-102.9	-1.1	179.5	-53.6	-165.2	-67.9	0	0	113.2	R185 I767 D768 R769 H773 L774 H775	R185-Q771 PolarHBondContact O-NE2 3.29Å; I767-Q771 HydrophobicContact CG2-CB 4.18Å; D768-Q771 WeakPolarHBondContact O-CB 3.37Å; D768-Q771 PolarHBondContact O-N 2.83Å; R769-Q771 PolarHBondContact O-N 3.4Å; Q771-H773 PolarHBondContact O-N 3.19Å; Q771-L774 WeakPolarHBondContact O-CB 3.38Å; Q771-L774 PolarHBondContact O-N 3.29Å; Q771-H775 PolarHBondContact O-CD2 2.9Å; Q771-H775 PolarHBondContact O-N 3.35Å
772	E	86.3	Confident	79.7	Confident	3 Å²	3	43 Å²	43	1%	0.014	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-65.5	-40.6	-170.3	-74.3	176	-169.2	0	0	113.1	L729 E730 R733 F755 I767 R769 L774 H775	L729-E772 HydrophobicContact CB-CB 3.8Å; L729-E772 HydrophobicContact CB-CG 4.02Å; L729-E772 PolarHBondContact N-O 3.36Å; E730-E772 HydrophobicContact CB-CB 4.36Å; R733-E772 IonicContact CZ-OE1 3.2Å; R733-E772 IonicContact CZ-OE2 2.94Å; R733-E772 IonicContact NE-OE1 3.4Å; R733-E772 IonicContact NE-OE2 3.57Å; R733-E772 PolarHBondContact NE-OE2 3.4Å; R733-E772 IonicContact NH2-OE1 3.5Å; R733-E772 PolarHBondContact NH2-OE1 2.97Å; R733-E772 IonicContact NH2-OE2 2.69Å; R733-E772 PolarHBondContact NH2-OE2 3.06Å; F755-E772 HydrophobicContact CD2-CG 4.05Å; F755-E772 WeakPolarHBondContact CD2-OE1 3.3Å; F755-E772 HydrophobicContact CE2-CG 4.31Å; I767-E772 HydrophobicContact CG2-CG 4.18Å; R769-E772 PolarHBondContact O-N 3.1Å; E772-L774 PolarHBondContact O-N 3.16Å; E772-L774 VanDerWaalsContact O-N 3.13Å; E772-H775 PolarHBondContact O-N 3.19Å; E772-H775 VanDerWaalsContact O-N 3.1Å
773	H	81.4	Confident	80.6	Confident	100 Å²	100	43.7 Å²	43.7	46%	0.463	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-61.7	-16	172.3	71.7	-87.2	0	0	0	114.7	A770 Q771	A770-H773 PolarHBondContact O-CE1 3.28Å; A770-H773 PolarHBondContact O-ND1 3.17Å; Q771-H773 PolarHBondContact O-N 3.19Å
774	L	76.9	Confident	81.5	Confident	46 Å²	46	42 Å²	42	24%	0.241	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-89.4	-20.8	177.8	-62	178	0	0	0	112.2	R188 E189 Q771 E772	R188-L774 HydrophobicContact CB-CB 3.72Å; R188-L774 WeakPolarHBondContact CB-O 3.47Å; R188-L774 WeakPolarHBondContact CD-O 3.24Å; R188-L774 HydrophobicContact CG-CB 4.46Å; R188-L774 WeakPolarHBondContact CG-O 3.26Å; E189-L774 HydrophobicContact CG-CD1 4.23Å; Q771-L774 WeakPolarHBondContact O-CB 3.38Å; Q771-L774 PolarHBondContact O-N 3.29Å; E772-L774 PolarHBondContact O-N 3.16Å; E772-L774 VanDerWaalsContact O-N 3.13Å
775	H	82.6	Confident	82.2	Confident	5 Å²	5	41.6 Å²	41.6	2%	0.023	21%	0.206	C	C	.	.			trans	-108.5	145.4	-172.8	-77.5	-118	0	0	0	111.4	Y187 D728 L729 I767 Q771 E772	Y187-H775 AromaticContact CE1-CE1 3.74Å; Y187-H775 AromaticContact CZ-CE1 3.75Å; Y187-H775 PolarHBondContact OH-CE1 3Å; Y187-H775 PolarHBondContact OH-ND1 3.31Å; D728-H775 CarbonylContact C-O 3.59Å; D728-H775 WeakPolarHBondContact CA-O 3.41Å; D728-H775 WeakPolarHBondContact CB-O 3.29Å; L729-H775 HydrophobicContact CD1-CB 3.6Å; L729-H775 HydrophobicContact CG-CB 3.92Å; L729-H775 PolarHBondContact N-O 3.26Å; I767-H775 HydrophobicContact CD1-CB 4.41Å; I767-H775 WeakPolarHBondContact CD1-ND1 3.2Å; Q771-H775 PolarHBondContact O-CD2 2.9Å; Q771-H775 PolarHBondContact O-N 3.35Å; E772-H775 PolarHBondContact O-N 3.19Å; E772-H775 VanDerWaalsContact O-N 3.1Å
776	Y	84.6	Confident	82.8	Confident	56 Å²	56	39.9 Å²	39.9	22%	0.22	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-107.2	152.4	178.7	-68.1	-98.6	0	0	0	110.3	P340 Q726 C778 D779	P340-Y776 HydrophobicContact CB-CD1 4.5Å; P340-Y776 HydrophobicContact CG-CD1 3.73Å; P340-Y776 HydrophobicContact CG-CE1 4.34Å; P340-Y776 HydrophobicContact CG-CG 4.1Å; Q726-Y776 WeakPolarHBondContact O-CD1 3.37Å; Q726-Y776 WeakPolarHBondContact O-CE1 3.4Å; Y776-C778 PolarHBondContact O-N 2.86Å; Y776-C778 VanDerWaalsContact O-N 3.15Å; Y776-D779 WeakPolarHBondContact O-CB 3.36Å; Y776-D779 PolarHBondContact O-N 3.49Å
777	I	85	Confident	83.1	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-54.9	-36.8	178.7	-170	57.6	0	0	0	112.4	M689 L691 I723 C727 L729 V732 D779 I780 A781 L785	M689-I777 HydrophobicContact SD-CG2 4.32Å; L691-I777 HydrophobicContact CD1-CD1 3.73Å; L691-I777 HydrophobicContact CD1-CG1 3.51Å; I723-I777 HydrophobicContact CD1-CD1 4.33Å; I723-I777 HydrophobicContact CD1-CG1 4.26Å; I723-I777 HydrophobicContact CG2-CG1 4.46Å; I723-I777 HydrophobicContact CG2-CG2 4.23Å; C727-I777 PolarHBondContact O-N 3.38Å; L729-I777 HydrophobicContact CD2-CB 4.49Å; L729-I777 HydrophobicContact CD2-CD1 4.19Å; V732-I777 HydrophobicContact CG1-CD1 4.31Å; V732-I777 HydrophobicContact CG2-CB 4.21Å; V732-I777 HydrophobicContact CG2-CD1 4.41Å; V732-I777 HydrophobicContact CG2-CG1 4.45Å; I777-D779 VanDerWaalsContact C-N 3.26Å; I777-D779 PolarHBondContact O-N 3.1Å; I777-I780 HydrophobicContact CD1-CD1 4.34Å; I777-I780 HydrophobicContact CD1-CG1 4.3Å; I777-I780 WeakPolarHBondContact O-CG1 3.37Å; I777-I780 PolarHBondContact O-N 3.01Å; I777-A781 HydrophobicContact CD1-CB 4.39Å; I777-A781 PolarHBondContact O-N 2.82Å; I777-L785 HydrophobicContact CD1-CD1 3.65Å; I777-L785 HydrophobicContact CD1-CD2 3.99Å; I777-L785 HydrophobicContact CD1-CG 4.39Å
778	C	80.9	Confident	83.3	Confident	14 Å²	14	35.6 Å²	35.6	10%	0.095	18%	0.181	C	C	.	.	H	α-helix	trans	-68	-15.2	176.4	69.9	0	0	0	0	114.5	K393 M689 Y776	K393-C778 WeakPolarHBondContact CD-O 3.5Å; K393-C778 WeakPolarHBondContact CE-O 3.1Å; K393-C778 PolarHBondContact NZ-O 2.9Å; M689-C778 HydrophobicContact SD-CB 4.22Å; Y776-C778 PolarHBondContact O-N 2.86Å; Y776-C778 VanDerWaalsContact O-N 3.15Å
779	D	78.4	Confident	83.4	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-70	-46.8	172.2	-87.7	-7.1	0	0	0	110.4	Y187 R188 K337 K393 C759 Y776 I777	Y187-D779 PolarHBondContact OH-OD2 3.22Å; R188-D779 IonicContact CZ-OD1 2.78Å; R188-D779 IonicContact CZ-OD2 3.08Å; R188-D779 VanDerWaalsContact CZ-OD2 3.26Å; R188-D779 IonicContact NE-OD2 3.16Å; R188-D779 PolarHBondContact NE-OD2 2.91Å; R188-D779 IonicContact NH2-OD1 2.66Å; R188-D779 PolarHBondContact NH2-OD1 3.27Å; R188-D779 IonicContact NH2-OD2 2.63Å; R188-D779 PolarHBondContact NH2-OD2 3.22Å; K337-D779 WeakPolarHBondContact CB-OD1 3.47Å; K337-D779 HydrophobicContact CD-CB 4.45Å; K337-D779 WeakPolarHBondContact CD-OD1 3.35Å; K337-D779 WeakPolarHBondContact CG-OD1 3.42Å; K393-D779 PolarHBondContact NZ-O 3.5Å; C759-D779 WeakPolarHBondContact CB-O 3.48Å; Y776-D779 WeakPolarHBondContact O-CB 3.36Å; Y776-D779 PolarHBondContact O-N 3.49Å; I777-D779 VanDerWaalsContact C-N 3.26Å; I777-D779 PolarHBondContact O-N 3.1Å
780	I	83	Confident	82.9	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-97.9	-22.9	-161.1	64.6	162.4	0	0	0	114.4	L729 F755 D757 S758 C759 I767 I777 L785	L729-I780 HydrophobicContact CD1-CD1 3.86Å; L729-I780 HydrophobicContact CD1-CG2 4.26Å; L729-I780 HydrophobicContact CD2-CD1 3.51Å; L729-I780 HydrophobicContact CD2-CG1 4.03Å; L729-I780 HydrophobicContact CG-CD1 4.36Å; F755-I780 HydrophobicContact CB-CD1 4.07Å; F755-I780 HydrophobicContact CD1-CD1 3.75Å; F755-I780 HydrophobicContact CG-CD1 4.16Å; D757-I780 HydrophobicContact CB-CB 4.47Å; D757-I780 HydrophobicContact CB-CG2 4.02Å; S758-I780 WeakPolarHBondContact CB-O 3.41Å; S758-I780 PolarHBondContact N-O 2.88Å; S758-I780 VanDerWaalsContact N-O 3.13Å; S758-I780 PolarHBondContact OG-O 2.95Å; C759-I780 VanDerWaalsContact SG-C 3.58Å; C759-I780 PolarHBondContact SG-O 3.43Å; C759-I780 VanDerWaalsContact SG-O 3.4Å; I767-I780 HydrophobicContact CD1-CG2 3.45Å; I767-I780 VanDerWaalsContact CD1-CG2 3.45Å; I777-I780 HydrophobicContact CD1-CD1 4.34Å; I777-I780 HydrophobicContact CD1-CG1 4.3Å; I777-I780 WeakPolarHBondContact O-CG1 3.37Å; I777-I780 PolarHBondContact O-N 3.01Å; I780-L785 HydrophobicContact CD1-CD1 3.55Å; I780-L785 HydrophobicContact CG1-CD1 4.25Å
781	A	80.7	Confident	82	Confident	1 Å²	1	31 Å²	31	1%	0.008	15%	0.151	C	C	.	.			trans	-120.3	168.8	-175.4	0	0	0	0	0	112.1	K393 L691 I777 E784 L785	K393-A781 PolarHBondContact NZ-O 2.84Å; L691-A781 HydrophobicContact CD1-CB 4.09Å; L691-A781 HydrophobicContact CD2-CB 3.89Å; I777-A781 HydrophobicContact CD1-CB 4.39Å; I777-A781 PolarHBondContact O-N 2.82Å; A781-E784 VanDerWaalsContact CB-O 3.26Å; A781-E784 WeakPolarHBondContact CB-O 3.38Å; A781-L785 HydrophobicContact CB-CD1 4.48Å
782	I	74.8	Confident	80.6	Confident	83 Å²	83	31.4 Å²	31.4	43%	0.426	16%	0.158	S	C	.	.	S	Bend	trans	-135.8	-72.1	163.5	-57.2	179.2	0	0	0	107.3	M689 L691	M689-I782 WeakPolarHBondContact CE-O 3.21Å; L691-I782 WeakPolarHBondContact CD2-O 3.43Å
783	D	81	Confident	78.4	Confident	97 Å²	97	34.2 Å²	34.2	52%	0.519	18%	0.183	S	C	.	.	S	Bend	trans	-110.5	-14.1	174.7	-32.4	-72.6	0	0	0	112	H692	H692-D783 PolarHBondContact N-O 3.47Å
784	E	87.9	Confident	76.2	Confident	29 Å²	29	35 Å²	35	14%	0.136	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.6	-171.4	-71.4	-179.9	166.2	0	0	111	H692 L694 R712 A781 Y786	H692-E784 HydrophobicContact CB-CG 4.35Å; H692-E784 WeakPolarHBondContact O-CA 3.46Å; L694-E784 HydrophobicContact CD1-CB 3.96Å; L694-E784 HydrophobicContact CD1-CG 3.83Å; R712-E784 IonicContact CZ-OE1 3.78Å; R712-E784 IonicContact CZ-OE2 3.35Å; R712-E784 IonicContact NE-OE1 3.88Å; R712-E784 PolarHBondContact NE-OE1 3.39Å; R712-E784 IonicContact NE-OE2 3.68Å; R712-E784 PolarHBondContact NE-OE2 2.93Å; R712-E784 VanDerWaalsContact NH2-CD 3.3Å; R712-E784 IonicContact NH2-OE1 2.88Å; R712-E784 PolarHBondContact NH2-OE1 2.85Å; R712-E784 IonicContact NH2-OE2 3.34Å; A781-E784 VanDerWaalsContact CB-O 3.26Å; A781-E784 WeakPolarHBondContact CB-O 3.38Å; E784-Y786 HydrophobicContact CB-CD2 4.26Å; E784-Y786 HydrophobicContact CB-CE2 3.6Å; E784-Y786 PolarHBondContact OE2-OH 2.88Å
785	L	90.8	Very high	73.9	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.9	178.1	178.1	58	0	0	0	109.4	L691 H692 L694 I723 V732 L736 F755 I777 I780 A781	L691-L785 HydrophobicContact CB-CB 4.25Å; L691-L785 HydrophobicContact CD1-CB 4.36Å; H692-L785 PolarHBondContact O-N 3.33Å; L694-L785 PolarHBondContact N-O 2.7Å; I723-L785 HydrophobicContact CD1-CD2 4.41Å; V732-L785 HydrophobicContact CG1-CD2 4.26Å; L736-L785 HydrophobicContact CD1-CD2 4.03Å; F755-L785 HydrophobicContact CD1-CD1 3.96Å; F755-L785 HydrophobicContact CE1-CD1 4.17Å; F755-L785 HydrophobicContact CE1-CD2 4.49Å; I777-L785 HydrophobicContact CD1-CD1 3.65Å; I777-L785 HydrophobicContact CD1-CD2 3.99Å; I777-L785 HydrophobicContact CD1-CG 4.39Å; I780-L785 HydrophobicContact CD1-CD1 3.55Å; I780-L785 HydrophobicContact CG1-CD1 4.25Å; A781-L785 HydrophobicContact CB-CD1 4.48Å
786	Y	90.1	Very high	71.6	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.8	-175.5	-72.2	-100	0	0	0	111.1	L694 V696 R712 A715 I756 Y764 E784	L694-Y786 HydrophobicContact CB-CD1 3.97Å; L694-Y786 HydrophobicContact CB-CE1 4.06Å; L694-Y786 HydrophobicContact CB-CG 4.34Å; L694-Y786 HydrophobicContact CD1-CD1 4.3Å; L694-Y786 HydrophobicContact CD1-CE1 3.62Å; L694-Y786 HydrophobicContact CD1-CE2 3.86Å; L694-Y786 WeakPolarHBondContact CD1-OH 3.48Å; L694-Y786 HydrophobicContact CG-CE1 4.48Å; L694-Y786 WeakPolarHBondContact O-CA 3.47Å; V696-Y786 HydrophobicContact CG2-CD1 3.92Å; R712-Y786 WeakPolarHBondContact CB-OH 3.23Å; R712-Y786 VanDerWaalsContact CG-OH 3.23Å; R712-Y786 WeakPolarHBondContact CG-OH 3.21Å; A715-Y786 HydrophobicContact CB-CE1 4.12Å; I756-Y786 PolarHBondContact N-O 3.12Å; Y764-Y786 HydrophobicContact CE1-CD1 4.02Å; Y764-Y786 AromaticContact CE1-CD2 3.9Å; Y764-Y786 HydrophobicContact CE1-CD2 3.9Å; Y764-Y786 HydrophobicContact CE1-CE1 4.1Å; Y764-Y786 HydrophobicContact CE1-CE2 4Å; Y764-Y786 AromaticContact CE1-CG 3.92Å; Y764-Y786 HydrophobicContact CE1-CG 3.92Å; Y764-Y786 AromaticContact CZ-CE1 3.91Å; Y764-Y786 AromaticContact CZ-CZ 3.89Å; Y764-Y786 WeakPolarHBondContact OH-CE1 3.44Å; Y764-Y786 PolarHBondContact OH-OH 2.92Å; E784-Y786 HydrophobicContact CB-CD2 4.26Å; E784-Y786 HydrophobicContact CB-CE2 3.6Å; E784-Y786 PolarHBondContact OE2-OH 2.88Å
787	I	91.3	Very high	69.2	Low	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	138.8	171.6	69	175.2	0	0	0	110.5	I693 L694 R695 V696 L718 F740 V749 W753 C754	I693-I787 HydrophobicContact CG2-CD1 4.38Å; L694-I787 PolarHBondContact O-N 3.05Å; R695-I787 HydrophobicContact CB-CG1 4.16Å; R695-I787 HydrophobicContact CG-CG1 4.42Å; V696-I787 PolarHBondContact N-O 3.34Å; L718-I787 HydrophobicContact CD1-CD1 3.8Å; F740-I787 HydrophobicContact CE2-CD1 4.35Å; F740-I787 HydrophobicContact CZ-CD1 4.11Å; V749-I787 HydrophobicContact CG1-CD1 4.05Å; V749-I787 HydrophobicContact CG2-CD1 4.34Å; W753-I787 HydrophobicContact CE3-CB 3.89Å; W753-I787 HydrophobicContact CE3-CG2 3.76Å; W753-I787 HydrophobicContact CH2-CG2 4.34Å; W753-I787 HydrophobicContact CZ3-CB 4.27Å; W753-I787 HydrophobicContact CZ3-CG2 3.62Å; C754-I787 WeakPolarHBondContact O-CA 3.41Å
788	L	88.7	Confident	67.1	Low	1 Å²	1	56.6 Å²	56.6	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	117.4	177.5	-173.5	54.3	0	0	0	109.4	V696 M698 Y701 W753 C754 I756 R766	V696-L788 HydrophobicContact CG1-CD1 4.21Å; M698-L788 HydrophobicContact CG-CD1 4.43Å; M698-L788 HydrophobicContact SD-CD1 3.98Å; M698-L788 HydrophobicContact SD-CD2 3.74Å; M698-L788 HydrophobicContact SD-CG 3.89Å; Y701-L788 HydrophobicContact CD1-CD2 4.05Å; Y701-L788 HydrophobicContact CD2-CD1 4.42Å; Y701-L788 HydrophobicContact CD2-CD2 4.42Å; Y701-L788 HydrophobicContact CE1-CD2 4.35Å; Y701-L788 HydrophobicContact CG-CD1 3.93Å; Y701-L788 HydrophobicContact CG-CD2 4.09Å; W753-L788 CarbonylContact C-O 3.6Å; W753-L788 VanDerWaalsContact CA-O 3.28Å; W753-L788 WeakPolarHBondContact CA-O 3.38Å; C754-L788 HydrophobicContact CB-CB 4.41Å; C754-L788 PolarHBondContact N-O 2.93Å; C754-L788 PolarHBondContact O-N 2.76Å; I756-L788 HydrophobicContact CD1-CB 3.8Å; I756-L788 HydrophobicContact CD1-CD1 4.31Å; I756-L788 HydrophobicContact CG1-CB 3.81Å; R766-L788 HydrophobicContact CB-CD2 4.23Å; R766-L788 HydrophobicContact CG-CD2 4.08Å
789	D	85.3	Confident	65	Low	1 Å²	1	60.7 Å²	60.7	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.2	178.8	-163.2	-40.7	0	0	0	111.2	R695 V696 M698 V749 S750 E791	R695-D789 HydrophobicContact CG-CB 4.1Å; R695-D789 IonicContact CZ-OD2 2.65Å; R695-D789 IonicContact NE-OD2 2.71Å; R695-D789 PolarHBondContact NE-OD2 3.47Å; R695-D789 IonicContact NH2-OD2 2.66Å; R695-D789 PolarHBondContact NH2-OD2 3.25Å; V696-D789 PolarHBondContact O-N 3.16Å; M698-D789 PolarHBondContact N-O 3.08Å; V749-D789 WeakPolarHBondContact CA-OD2 3.49Å; V749-D789 WeakPolarHBondContact CG1-OD2 3.43Å; S750-D789 VanDerWaalsContact CB-OD1 3.23Å; S750-D789 WeakPolarHBondContact CB-OD1 3.33Å; S750-D789 PolarHBondContact N-OD2 3.45Å; D789-E791 PolarHBondContact OD1-N 3.07Å
790	H	71.4	Confident	63	Low	62 Å²	62	66 Å²	66	29%	0.287	37%	0.369	S	S	.	.	S	Bend	trans	-87.2	-26	-175.5	-77.9	-79.5	0	0	0	114	M698 D752 R766	M698-H790 HydrophobicContact CG-CB 4.48Å; M698-H790 WeakPolarHBondContact CG-ND1 3.34Å; M698-H790 PolarHBondContact SD-CE1 3.34Å; D752-H790 PolarHBondContact O-CD2 3.41Å; R766-H790 PolarHBondContact NH1-CE1 3.11Å; R766-H790 PolarHBondContact NH1-NE2 2.87Å
791	E	60.5	Low	60.9	Low	118 Å²	118	73.3 Å²	73.3	55%	0.551	40%	0.403	S	S	*	.	S	Bend	trans	-97	-6.7	-173	-71.3	178.5	107.4	0	0	114	S750 D789 A793 T794	S750-E791 VanDerWaalsContact CA-OE2 3.24Å; S750-E791 WeakPolarHBondContact CA-OE2 3.34Å; S750-E791 WeakPolarHBondContact CB-OE2 3.46Å; S750-E791 VanDerWaalsContact OG-CD 3.31Å; S750-E791 WeakPolarHBondContact OG-CG 3.43Å; S750-E791 PolarHBondContact OG-OE2 2.92Å; D789-E791 PolarHBondContact OD1-N 3.07Å; E791-A793 PolarHBondContact O-N 3.48Å; E791-T794 PolarHBondContact O-OG1 3.01Å
792	A	51.4	Low	58.9	Low	37 Å²	37	80.9 Å²	80.9	31%	0.306	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	1.8	177.2	0	0	0	0	0	114.9	T697	T697-A792 HydrophobicContact CG2-CB 3.57Å
793	A	40.7	Very low	57.2	Low	63 Å²	63	86.4 Å²	86.4	52%	0.521	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-6.5	-174.3	0	0	0	0	0	115	E791	E791-A793 PolarHBondContact O-N 3.48Å
794	T	34	Very low	55.1	Low	115 Å²	115	85.9 Å²	85.9	71%	0.706	46%	0.458	S	S	*	.	S	Bend	trans	-132.6	1.5	-164.6	43.7	0	0	0	0	116.2	E791 P796	E791-T794 PolarHBondContact O-OG1 3.01Å; T794-P796 WeakPolarHBondContact O-CD 3.44Å
795	M	29.8	Very low	52.8	Low	159 Å²	159	93 Å²	93	78%	0.783	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-93.2	118.3	-178.2	-72.5	-67.1	-71.3	0	0	112.7
796	P	33.4	Very low	50.5	Low	109 Å²	109	96.2 Å²	96.2	71%	0.708	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-67.7	145.4	170.4	-17.4	32.1	0	0	0	111.8	T794	T794-P796 WeakPolarHBondContact O-CD 3.44Å
797	Q	34.5	Very low	48.1	Very low	199 Å²	199	98.2 Å²	98.2	93%	0.93	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-75.6	138.2	174.8	-66.2	179.9	-13.8	0	0	111.2
798	T	40.4	Very low	45.9	Very low	94 Å²	94	104.1 Å²	104.1	58%	0.577	56%	0.558	S	S	*	*			trans	-122.9	143.4	167.7	54.3	0	0	0	0	110.3	D800	T798-D800 VanDerWaalsContact C-N 3.29Å; T798-D800 PolarHBondContact O-N 3.16Å
799	P	35.9	Very low	43.6	Very low	101 Å²	101	107.9 Å²	107.9	66%	0.656	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-74.4	-6.8	-162.6	28.2	-36.2	0	0	0	115.8	Q801	P799-Q801 VanDerWaalsContact C-N 3.3Å; P799-Q801 PolarHBondContact O-N 2.81Å
800	D	37.2	Very low	41.5	Very low	113 Å²	113	115.2 Å²	115.2	60%	0.604	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-72.6	-18.7	-175.5	-68.6	-58.1	0	0	0	114.3	T798 E802	T798-D800 VanDerWaalsContact C-N 3.29Å; T798-D800 PolarHBondContact O-N 3.16Å; D800-E802 PolarHBondContact O-N 3.24Å
801	Q	40	Very low	40.2	Very low	155 Å²	155	120.5 Å²	120.5	72%	0.724	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-74.5	-22.2	-176.9	-67.9	-168.3	-11.4	0	0	114.2	P799 R803 S804	P799-Q801 VanDerWaalsContact C-N 3.3Å; P799-Q801 PolarHBondContact O-N 2.81Å; Q801-R803 VanDerWaalsContact C-N 3.29Å; Q801-R803 PolarHBondContact O-N 2.94Å; Q801-S804 PolarHBondContact O-N 3.22Å
802	E	38.2	Very low	39.6	Very low	160 Å²	160	120.1 Å²	120.1	75%	0.748	63%	0.634	S	S	*	*	H	α-helix	trans	-65.5	-31.7	-179.2	-64	-167	133.9	0	0	112.8	D800 S804 F805	D800-E802 PolarHBondContact O-N 3.24Å; E802-S804 VanDerWaalsContact C-N 3.29Å; E802-S804 PolarHBondContact O-N 3.01Å; E802-F805 PolarHBondContact O-N 2.81Å
803	R	38.5	Very low	39.2	Very low	199 Å²	199	121 Å²	121	75%	0.751	64%	0.642	S	S	*	*	H	α-helix	trans	-64.7	-32.9	178.9	-62.5	-173	-173.1	-162.9	4	112.6	Q801 F805 A807	Q801-R803 VanDerWaalsContact C-N 3.29Å; Q801-R803 PolarHBondContact O-N 2.94Å; R803-F805 VanDerWaalsContact C-N 3.33Å; R803-F805 PolarHBondContact O-N 3.38Å; R803-A807 PolarHBondContact O-N 2.91Å
804	S	37.6	Very low	39.5	Very low	86 Å²	86	124.5 Å²	124.5	60%	0.601	65%	0.647	S	S	*	*	H	α-helix	trans	-68.4	-31.2	-178.4	-61.8	0	0	0	0	112.7	Q801 E802 F808	Q801-S804 PolarHBondContact O-N 3.22Å; E802-S804 VanDerWaalsContact C-N 3.29Å; E802-S804 PolarHBondContact O-N 3.01Å; S804-F808 PolarHBondContact O-N 3.11Å
805	F	40.1	Very low	40	Very low	179 Å²	179	124.1 Å²	124.1	79%	0.785	64%	0.641	S	S	*	*	H	α-helix	trans	-70.7	-42.9	-179.4	-125	-92.6	0	0	0	112.1	E802 R803 A807 F808	E802-F805 PolarHBondContact O-N 2.81Å; R803-F805 VanDerWaalsContact C-N 3.33Å; R803-F805 PolarHBondContact O-N 3.38Å; F805-A807 VanDerWaalsContact C-N 3.32Å; F805-A807 PolarHBondContact O-N 3.2Å; F805-F808 PolarHBondContact O-N 2.85Å
806	A	41.4	Very low	40.6	Very low	68 Å²	68	123.4 Å²	123.4	56%	0.562	64%	0.636	S	S	*	*	H	α-helix	trans	-62.2	-38.7	176.7	0	0	0	0	0	112.4	F808	A806-F808 VanDerWaalsContact C-N 3.28Å; A806-F808 PolarHBondContact O-N 3.2Å
807	A	40.4	Very low	41.1	Very low	44 Å²	44	128.3 Å²	128.3	36%	0.364	64%	0.64	S	S	.	*	H	α-helix	trans	-72.2	-14.8	-179	0	0	0	0	0	114.6	R803 F805 R811	R803-A807 PolarHBondContact O-N 2.91Å; F805-A807 VanDerWaalsContact C-N 3.32Å; F805-A807 PolarHBondContact O-N 3.2Å; A807-R811 PolarHBondContact O-NE 2.86Å
808	F	43.7	Very low	41.5	Very low	123 Å²	123	128.5 Å²	128.5	54%	0.539	63%	0.632	S	S	.	*	H	α-helix	trans	-83.8	-47.2	177	-171.9	-95	0	0	0	111.8	S804 F805 A806 Q810 R811 Q812	S804-F808 PolarHBondContact O-N 3.11Å; F805-F808 PolarHBondContact O-N 2.85Å; A806-F808 VanDerWaalsContact C-N 3.28Å; A806-F808 PolarHBondContact O-N 3.2Å; F808-Q810 VanDerWaalsContact C-N 3.27Å; F808-Q810 PolarHBondContact O-N 2.82Å; F808-R811 PolarHBondContact O-N 3.12Å; F808-Q812 HydrophobicContact CE1-CG 4.44Å
809	S	41.8	Very low	41.6	Very low	81 Å²	81	132.3 Å²	132.3	57%	0.566	64%	0.644	S	S	*	*	H	α-helix	trans	-56.7	-38.2	-177.3	179.7	0	0	0	0	113	R811	S809-R811 VanDerWaalsContact C-N 3.28Å; S809-R811 PolarHBondContact O-N 3.42Å
810	Q	41.4	Very low	41.9	Very low	155 Å²	155	136.1 Å²	136.1	72%	0.724	66%	0.655	S	S	*	*	H	α-helix	trans	-67.2	-22.5	178.1	-68.5	-175.4	-18.1	0	0	114.2	F808	F808-Q810 VanDerWaalsContact C-N 3.27Å; F808-Q810 PolarHBondContact O-N 2.82Å
811	R	44	Very low	42	Very low	173 Å²	173	137.6 Å²	137.6	65%	0.653	66%	0.663	S	S	*	*	H	α-helix	trans	-81.3	-33.4	-178.4	-62	-176.1	-164.4	-155.5	1.9	113.1	A807 F808 S809 Q814 N815	A807-R811 PolarHBondContact O-NE 2.86Å; F808-R811 PolarHBondContact O-N 3.12Å; S809-R811 VanDerWaalsContact C-N 3.28Å; S809-R811 PolarHBondContact O-N 3.42Å; R811-Q814 PolarHBondContact O-N 2.96Å; R811-N815 PolarHBondContact O-N 3.07Å
812	Q	46.7	Very low	41.8	Very low	109 Å²	109	139.4 Å²	139.4	51%	0.509	67%	0.671	S	S	.	*	H	α-helix	trans	-61.1	-48.2	177.4	-77.1	-174.2	-80.3	0	0	111.4	F808 Q814 N815 E816	F808-Q812 HydrophobicContact CE1-CG 4.44Å; Q812-Q814 PolarHBondContact O-N 3Å; Q812-N815 PolarHBondContact O-N 3.17Å; Q812-E816 PolarHBondContact O-N 3.32Å
813	A	44.5	Very low	41.6	Very low	57 Å²	57	136.6 Å²	136.6	47%	0.471	68%	0.676	S	S	.	*	H	α-helix	trans	-62	-9.6	178.5	0	0	0	0	0	114.9
814	Q	45.3	Very low	41.2	Very low	135 Å²	135	136.9 Å²	136.9	63%	0.631	69%	0.685	S	S	*	*	H	α-helix	trans	-101.6	-27.1	177.5	-146.5	173.6	30.3	0	0	112.8	R811 Q812	R811-Q814 PolarHBondContact O-N 2.96Å; Q812-Q814 PolarHBondContact O-N 3Å
815	N	44.4	Very low	40.7	Very low	108 Å²	108	136.1 Å²	136.1	58%	0.578	69%	0.691	S	S	*	*	H	α-helix	trans	-77.6	-36.2	174.9	-83.8	-6.2	0	0	0	112.6	R811 Q812 R817 R818	R811-N815 PolarHBondContact O-N 3.07Å; Q812-N815 PolarHBondContact O-N 3.17Å; N815-R817 PolarHBondContact O-N 3.16Å; N815-R817 VanDerWaalsContact O-N 3.15Å; N815-R818 PolarHBondContact O-N 3.28Å
816	E	43.4	Very low	40.1	Very low	143 Å²	143	139.8 Å²	139.8	67%	0.668	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-60.3	-25.8	178.8	-68.8	172.8	158.7	0	0	112.7	Q812 R818	Q812-E816 PolarHBondContact O-N 3.32Å; E816-R818 VanDerWaalsContact C-N 3.32Å; E816-R818 PolarHBondContact O-N 3.02Å
817	R	43.2	Very low	39.6	Very low	212 Å²	212	139.9 Å²	139.9	80%	0.8	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-80.5	-6	175.5	-60.7	-174.4	-172.6	-123.4	-1.2	114.5	N815	N815-R817 PolarHBondContact O-N 3.16Å; N815-R817 VanDerWaalsContact O-N 3.15Å
818	R	43.5	Very low	39.5	Very low	204 Å²	204	144.6 Å²	144.6	77%	0.77	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-106.9	-1.7	-176.3	-74.8	-176.5	165.7	-175.5	-4.6	114.4	N815 E816	N815-R818 PolarHBondContact O-N 3.28Å; E816-R818 VanDerWaalsContact C-N 3.32Å; E816-R818 PolarHBondContact O-N 3.02Å
819	Q	42.1	Very low	38.6	Very low	174 Å²	174	142.1 Å²	142.1	81%	0.813	74%	0.744	S	S	*	*	S	Bend	trans	-99.9	6.2	-177.7	-71.7	-170.6	-18.3	0	0	115.1
820	M	42.8	Very low	37.9	Very low	180 Å²	180	143.5 Å²	143.5	89%	0.887	75%	0.754	S	S	*	*	S	Bend	trans	-94.6	-15.6	177.6	-78.3	-168.5	169.7	0	0	115.6
821	D	38.2	Very low	37.1	Very low	145 Å²	145	141.4 Å²	141.4	78%	0.775	75%	0.752	S	S	*	*	S	Bend	trans	-102.6	-1	-164.1	-79.8	-35.6	0	0	0	117
822	Q	37.3	Very low	36.3	Very low	192 Å²	192	140 Å²	140	90%	0.897	76%	0.757	S	S	*	*			trans	-136.6	93.2	-177.3	-70.7	-169.6	-4.1	0	0	114.3
823	A	33	Very low	35.3	Very low	102 Å²	102	142.9 Å²	142.9	84%	0.843	77%	0.77	S	S	*	*			trans	-153.4	58.7	169.1	0	0	0	0	0	113.3
824	Q	29.9	Very low	34.5	Very low	204 Å²	204	144.2 Å²	144.2	95%	0.953	77%	0.769	S	S	*	*			trans	-140.7	131	167.9	-67.8	-168.4	10.5	0	0	112.3
825	G	27.7	Very low	33.7	Very low	71 Å²	71	145.4 Å²	145.4	73%	0.732	78%	0.779	S	S	*	*			trans	110.8	91.2	146.6	0	0	0	0	0	121.1
826	R	28.1	Very low	32.8	Very low	255 Å²	255	147 Å²	147	96%	0.962	78%	0.783	S	S	*	*			trans	61.7	144.7	135.7	-58.9	179	178.3	-178	-0.9	122
827	G	30.3	Very low	31.9	Very low	70 Å²	70	148.4 Å²	148.4	72%	0.722	79%	0.794	S	S	*	*			trans	-91.3	-149.3	161.5	0	0	0	0	0	112.4
828	P	38.1	Very low	31	Very low	143 Å²	143	141.2 Å²	141.2	93%	0.929	79%	0.786	S	S	*	*			cis	-144.2	-167.8	20.4	44.2	-24	0	0	0	117
829	G	25.7	Very low	30.2	Very low	71 Å²	71	137.7 Å²	137.7	73%	0.732	79%	0.792	S	S	*	*			trans	141.2	123.8	168.3	0	0	0	0	0	112.5
830	S	25.4	Very low	29.7	Very low	111 Å²	111	138.7 Å²	138.7	78%	0.776	79%	0.794	S	S	*	*			cis	80.2	127.5	47.6	-149.8	0	0	0	0	112.4
831	T	26.4	Very low	28.9	Very low	111 Å²	111	136.4 Å²	136.4	68%	0.681	79%	0.792	S	S	*	*			cis	-166.4	155.5	5	-0.9	0	0	0	0	111.3
832	D	25.6	Very low	28.3	Very low	142 Å²	142	137.3 Å²	137.3	76%	0.759	80%	0.795	S	S	*	*			trans	36.1	163.2	136.9	-67.1	-18.3	0	0	0	123.4
833	E	27.5	Very low	27.7	Very low	170 Å²	170	137.5 Å²	137.5	79%	0.794	79%	0.793	S	S	*	*			cis	-158.8	178.5	-3.4	-120.8	-169.3	149.6	0	0	105.7
834	D	26.8	Very low	27.4	Very low	85 Å²	85	139.4 Å²	139.4	46%	0.455	79%	0.794	S	S	.	*			cis	-164.7	167.7	-12.9	172.4	42	0	0	0	106.9	Q836	D834-Q836 PolarHBondContact OD1-NE2 3.49Å; D834-Q836 PolarHBondContact OD2-NE2 3.1Å
835	L	27.8	Very low	27.1	Very low	160 Å²	160	137.3 Å²	137.3	84%	0.838	79%	0.786	S	S	*	*				170.9	136.4	126.7	-91.8	170.2	0	0	0	113.2
836	Q	25.8	Very low	27	Very low	141 Å²	141	143.7 Å²	143.7	66%	0.659	79%	0.794	S	S	*	*			trans	-106.4	163.2	-169.6	-41.3	87.2	14.2	0	0	115.9	D834	D834-Q836 PolarHBondContact OD1-NE2 3.49Å; D834-Q836 PolarHBondContact OD2-NE2 3.1Å
837	I	25.7	Very low	26.7	Very low	174 Å²	174	143.1 Å²	143.1	89%	0.892	79%	0.792	S	S	*	*			trans	-163.9	147.5	133.8	-106.5	160.4	0	0	0	108.5
838	G	24.2	Very low	26.5	Very low	61 Å²	61	148.8 Å²	148.8	63%	0.629	80%	0.797	S	S	*	*			cis	148.3	91	-5	0	0	0	0	0	112.3
839	S	26.7	Very low	26.3	Very low	129 Å²	129	147.5 Å²	147.5	90%	0.902	79%	0.791	S	S	*	*			trans	-156.8	156	176.8	-87.4	0	0	0	0	114.8
840	K	31.2	Very low	26.8	Very low	196 Å²	196	149.2 Å²	149.2	85%	0.852	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-103.9	155.3	-167.2	-70.5	174.1	-179.4	172.5	0	113.1
841	P	25.5	Very low	27.2	Very low	131 Å²	131	151.9 Å²	151.9	85%	0.851	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-75.3	142.7	-175.1	30.1	-36.3	0	0	0	113.9
842	I	26.7	Very low	27.8	Very low	164 Å²	164	153.5 Å²	153.5	84%	0.841	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-92.6	138.5	174.5	-62.9	178.7	0	0	0	110.3
843	K	24.5	Very low	28.7	Very low	197 Å²	197	152 Å²	152	86%	0.857	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-76	127.6	-174.9	-65.1	172.5	-179.7	172.7	0	112	M845	K843-M845 PolarHBondContact O-N 2.96Å
844	V	25.3	Very low	29.5	Very low	142 Å²	142	149.5 Å²	149.5	86%	0.861	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-70.6	126.1	169.1	179.9	0	0	0	0	110
845	M	23.6	Very low	31.1	Very low	159 Å²	159	150.8 Å²	150.8	78%	0.783	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-75.9	124	176.7	-74.2	-173.4	-88.6	0	0	111.7	K843 W847	K843-M845 PolarHBondContact O-N 2.96Å; M845-W847 PolarHBondContact O-N 3.07Å
846	K	25.5	Very low	33.2	Very low	206 Å²	206	144.7 Å²	144.7	90%	0.896	76%	0.755	S	S	*	*			trans	-69	111.1	168.8	-77.8	-176.4	175.6	178.6	0	110	K848	K846-K848 PolarHBondContact O-N 3.42Å
847	W	23.4	Very low	35.6	Very low	243 Å²	243	143 Å²	143	92%	0.92	75%	0.75	S	S	*	*			trans	-77.2	113.9	163.1	-74.9	79.8	0	0	0	109.5	M845	M845-W847 PolarHBondContact O-N 3.07Å
848	K	25.4	Very low	38.2	Very low	189 Å²	189	136.2 Å²	136.2	82%	0.822	72%	0.72	S	S	*	*			trans	-82.9	128.1	166.8	-73.8	-176.9	175.9	-179.1	0	108.8	K846	K846-K848 PolarHBondContact O-N 3.42Å
849	S	33.9	Very low	41.2	Very low	116 Å²	116	133.3 Å²	133.3	81%	0.811	69%	0.691	S	S	*	*			trans	-60.1	143.4	152.9	-51.7	0	0	0	0	108.5
850	P	35.7	Very low	44.1	Very low	107 Å²	107	127.5 Å²	127.5	70%	0.695	65%	0.65	S	S	*	*				-144.2	131.5	95.5	35.9	-20.5	0	0	0	114.1	L852	P850-L852 HydrophobicContact CB-CD1 4.18Å
851	I	34	Very low	46.8	Very low	166 Å²	166	123.4 Å²	123.4	85%	0.851	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-97.4	116.1	145.8	-63.3	173.7	0	0	0	104.3	E853	I851-E853 PolarHBondContact O-N 3.29Å
852	L	38.2	Very low	49.8	Very low	145 Å²	145	117.3 Å²	117.3	76%	0.759	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-70.4	121.5	167.3	-90.1	76.1	0	0	0	107.5	P850 Q854	P850-L852 HydrophobicContact CB-CD1 4.18Å; L852-Q854 PolarHBondContact O-N 3.08Å
853	E	44.4	Very low	52.8	Low	112 Å²	112	109.5 Å²	109.5	52%	0.523	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-60.5	128.4	165.2	-63.3	-176.7	-172.7	0	0	108.6	I851 S880 Q882	I851-E853 PolarHBondContact O-N 3.29Å; E853-S880 VanDerWaalsContact OE2-CB 3.24Å; E853-S880 WeakPolarHBondContact OE2-CB 3.44Å; E853-S880 PolarHBondContact OE2-OG 2.97Å; E853-Q882 PolarHBondContact OE2-NE2 2.67Å
854	Q	45.8	Very low	56	Low	117 Å²	117	103.6 Å²	103.6	55%	0.547	53%	0.532	S	S	.	.	B	Isolated β-bridge	trans	-82.8	120.9	176.6	-65.5	-171.5	9.6	0	0	109.5	L852 G878 Y879 S880	L852-Q854 PolarHBondContact O-N 3.08Å; Q854-G878 PolarHBondContact N-O 3.07Å; Q854-Y879 HydrophobicContact CB-CD1 3.62Å; Q854-Y879 HydrophobicContact CB-CE1 3.87Å; Q854-Y879 CarbonylContact O-C 3.59Å; Q854-Y879 VanDerWaalsContact O-CA 3.24Å; Q854-Y879 WeakPolarHBondContact O-CA 3.46Å; Q854-S880 PolarHBondContact O-N 3.36Å
855	T	60	Low	59.1	Low	111 Å²	111	100.7 Å²	100.7	68%	0.681	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-82.5	133.7	171.1	50.9	0	0	0	0	110.1	S883	T855-S883 WeakPolarHBondContact CA-OG 3.45Å
856	S	70.6	Confident	62.3	Low	32 Å²	32	94.3 Å²	94.3	22%	0.224	49%	0.494	C	S	.	.			trans	-150.5	132.6	-178.7	179.1	0	0	0	0	112.8	A858 I859 Y879 S883	S856-A858 PolarHBondContact O-N 3.41Å; S856-A858 VanDerWaalsContact O-N 3.13Å; S856-A858 WeakPolarHBondContact OG-CB 3.39Å; S856-A858 PolarHBondContact OG-N 2.81Å; S856-I859 PolarHBondContact O-N 3.43Å; S856-Y879 VanDerWaalsContact CB-CD1 3.44Å; S856-S883 PolarHBondContact N-OG 2.91Å
857	D	77.8	Confident	65.3	Low	105 Å²	105	87.8 Å²	87.8	56%	0.561	47%	0.469	S	S	*	.	H	α-helix	trans	-59	-21.7	173.7	-68.6	-38.8	0	0	0	112.5	I859 L860 L861	D857-I859 PolarHBondContact O-N 3.41Å; D857-L860 WeakPolarHBondContact O-CA 3.5Å; D857-L860 WeakPolarHBondContact O-CB 3.45Å; D857-L860 PolarHBondContact O-N 2.55Å; D857-L861 WeakPolarHBondContact O-CG 3.37Å; D857-L861 PolarHBondContact O-N 3.45Å
858	A	79.9	Confident	68.4	Low	32 Å²	32	77.5 Å²	77.5	26%	0.264	43%	0.432	S	S	.	.	H	α-helix	trans	-60.1	-32.8	176.8	0	0	0	0	0	112.9	S856 L860 A862 L874	S856-A858 PolarHBondContact O-N 3.41Å; S856-A858 VanDerWaalsContact O-N 3.13Å; S856-A858 WeakPolarHBondContact OG-CB 3.39Å; S856-A858 PolarHBondContact OG-N 2.81Å; A858-L860 VanDerWaalsContact C-N 3.33Å; A858-A862 WeakPolarHBondContact O-CB 3.47Å; A858-A862 PolarHBondContact O-N 2.98Å; A858-L874 VanDerWaalsContact C-CD1 3.48Å; A858-L874 HydrophobicContact CB-CD1 3.73Å; A858-L874 HydrophobicContact CB-CD2 4.22Å; A858-L874 WeakPolarHBondContact O-CD1 3.38Å
859	I	86.9	Confident	71.3	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-67.8	-35.8	174.1	-86.9	-176.7	0	0	0	111	S856 D857 A863 L874 Y879 S880 L881 A891	S856-I859 PolarHBondContact O-N 3.43Å; D857-I859 PolarHBondContact O-N 3.41Å; I859-A863 WeakPolarHBondContact O-CB 3.36Å; I859-A863 PolarHBondContact O-N 3.03Å; I859-L874 HydrophobicContact CD1-CB 4.21Å; I859-L874 HydrophobicContact CG1-CB 3.7Å; I859-L874 HydrophobicContact CG1-CD1 3.91Å; I859-L874 HydrophobicContact CG1-CG 4.45Å; I859-Y879 VanDerWaalsContact CD1-CB 3.45Å; I859-Y879 WeakPolarHBondContact CD1-O 3.42Å; I859-S880 WeakPolarHBondContact CD1-O 3.4Å; I859-L881 HydrophobicContact CD1-CD2 4.39Å; I859-L881 HydrophobicContact CG2-CD2 4.45Å; I859-A891 HydrophobicContact CG2-CB 3.82Å
860	L	88.6	Confident	73.8	Confident	8 Å²	8	72.8 Å²	72.8	4%	0.042	40%	0.404	C	S	.	.	H	α-helix	trans	-73	-42.4	179.4	-54.4	178.5	0	0	0	110.9	D857 A858 A863 Q864 N885 A891 F894	D857-L860 WeakPolarHBondContact O-CA 3.5Å; D857-L860 WeakPolarHBondContact O-CB 3.45Å; D857-L860 PolarHBondContact O-N 2.55Å; A858-L860 VanDerWaalsContact C-N 3.33Å; L860-A863 CarbonylContact O-C 3.55Å; L860-A863 PolarHBondContact O-N 2.98Å; L860-Q864 WeakPolarHBondContact O-CB 3.23Å; L860-Q864 PolarHBondContact O-N 3.17Å; L860-N885 HydrophobicContact CD1-CB 3.87Å; L860-N885 VanDerWaalsContact CD1-N 3.3Å; L860-A891 HydrophobicContact CD2-CB 4.25Å; L860-A891 VanDerWaalsContact CD2-N 3.28Å; L860-F894 HydrophobicContact CB-CD2 4.3Å; L860-F894 HydrophobicContact CB-CE2 4.14Å; L860-F894 HydrophobicContact CD2-CD2 4.31Å; L860-F894 HydrophobicContact CD2-CE2 4.34Å
861	L	87.1	Confident	76.4	Confident	109 Å²	109	67.7 Å²	67.7	57%	0.571	37%	0.371	S	S	*	.	H	α-helix	trans	-62.1	-42	174.3	-68.8	171.5	0	0	0	112	D857 Q864 S865	D857-L861 WeakPolarHBondContact O-CG 3.37Å; D857-L861 PolarHBondContact O-N 3.45Å; L861-Q864 PolarHBondContact O-N 3.22Å; L861-S865 WeakPolarHBondContact O-CB 3.49Å; L861-S865 PolarHBondContact O-N 3Å; L861-S865 PolarHBondContact O-OG 3.23Å
862	A	88.7	Confident	78.9	Confident	4 Å²	4	64 Å²	64	3%	0.033	35%	0.347	C	S	.	.	H	α-helix	trans	-66.7	-35.8	174.5	0	0	0	0	0	112.6	A858 Q864 S865 G866 D867 M870 L871 L874	A858-A862 WeakPolarHBondContact O-CB 3.47Å; A858-A862 PolarHBondContact O-N 2.98Å; A862-Q864 VanDerWaalsContact C-N 3.33Å; A862-S865 PolarHBondContact O-OG 3.26Å; A862-G866 PolarHBondContact O-N 3.14Å; A862-D867 PolarHBondContact O-N 3.15Å; A862-M870 HydrophobicContact CB-CB 4.14Å; A862-M870 HydrophobicContact CB-CG 4.05Å; A862-L871 HydrophobicContact CB-CB 3.85Å; A862-L874 HydrophobicContact CB-CD1 4.46Å
863	A	90.1	Very high	80.8	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-70	-28.4	173.4	0	0	0	0	0	113.6	I859 L860 L871 A891 F894 H900	I859-A863 WeakPolarHBondContact O-CB 3.36Å; I859-A863 PolarHBondContact O-N 3.03Å; L860-A863 CarbonylContact O-C 3.55Å; L860-A863 PolarHBondContact O-N 2.98Å; A863-L871 HydrophobicContact CB-CD1 3.67Å; A863-A891 HydrophobicContact CB-CB 3.67Å; A863-A891 WeakPolarHBondContact CB-O 3.33Å; A863-F894 HydrophobicContact CB-CB 4.14Å; A863-H900 PolarHBondContact O-CD2 2.97Å; A863-H900 VanDerWaalsContact O-CD2 3.22Å
864	Q	91.3	Very high	82.6	Confident	72 Å²	72	54 Å²	54	34%	0.336	30%	0.303	S	S	.	.	H	α-helix	trans	-79	-43.8	176.3	176.9	168.7	27.3	0	0	111.9	L860 L861 A862 G866 F894 Y898 H900	L860-Q864 WeakPolarHBondContact O-CB 3.23Å; L860-Q864 PolarHBondContact O-N 3.17Å; L861-Q864 PolarHBondContact O-N 3.22Å; A862-Q864 VanDerWaalsContact C-N 3.33Å; Q864-G866 VanDerWaalsContact C-N 3.31Å; Q864-G866 PolarHBondContact O-N 3.4Å; Q864-F894 HydrophobicContact CB-CB 4.42Å; Q864-F894 HydrophobicContact CB-CD1 4.25Å; Q864-F894 HydrophobicContact CB-CG 4.4Å; Q864-F894 HydrophobicContact CG-CD1 4.5Å; Q864-Y898 HydrophobicContact CB-CE2 4.45Å; Q864-Y898 HydrophobicContact CG-CD2 4.22Å; Q864-Y898 HydrophobicContact CG-CE2 3.68Å; Q864-Y898 PolarHBondContact NE2-OH 2.79Å; Q864-H900 PolarHBondContact O-NE2 3.04Å
865	S	89.9	Confident	84.5	Confident	81 Å²	81	51.2 Å²	51.2	57%	0.566	29%	0.289	S	S	*	.	H	α-helix	trans	-72.5	-22.5	-179.8	68.3	0	0	0	0	113.9	L861 A862 D867	L861-S865 WeakPolarHBondContact O-CB 3.49Å; L861-S865 PolarHBondContact O-N 3Å; L861-S865 PolarHBondContact O-OG 3.23Å; A862-S865 PolarHBondContact O-OG 3.26Å; S865-D867 PolarHBondContact OG-N 3.09Å
866	G	90.2	Very high	85.4	Confident	26 Å²	26	53.3 Å²	53.3	27%	0.268	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	5.5	-173.6	0	0	0	0	0	113.9	A862 Q864 L868 H900	A862-G866 PolarHBondContact O-N 3.14Å; Q864-G866 VanDerWaalsContact C-N 3.31Å; Q864-G866 PolarHBondContact O-N 3.4Å; G866-L868 VanDerWaalsContact C-N 3.31Å; G866-L868 PolarHBondContact O-N 3.03Å; G866-H900 WeakPolarHBondContact CA-CE1 3.44Å; G866-H900 WeakPolarHBondContact CA-ND1 3.35Å; G866-H900 WeakPolarHBondContact CA-NE2 3.36Å; G866-H900 PolarHBondContact N-NE2 2.86Å
867	D	89.6	Confident	85.6	Confident	69 Å²	69	58 Å²	58	37%	0.369	31%	0.31	S	S	.	.			trans	-75.9	83.7	177.3	-167.5	-12.2	0	0	0	112	A862 S865 N869 M870 L871	A862-D867 PolarHBondContact O-N 3.15Å; S865-D867 PolarHBondContact OG-N 3.09Å; D867-N869 PolarHBondContact O-N 3.49Å; D867-N869 WeakPolarHBondContact OD1-CA 3.39Å; D867-N869 WeakPolarHBondContact OD1-CB 3.32Å; D867-N869 PolarHBondContact OD1-N 3.04Å; D867-M870 HydrophobicContact CB-CB 4Å; D867-M870 VanDerWaalsContact CG-CB 3.45Å; D867-M870 PolarHBondContact O-N 3.12Å; D867-M870 PolarHBondContact OD1-N 3.36Å; D867-M870 WeakPolarHBondContact OD2-CB 3.36Å; D867-L871 WeakPolarHBondContact O-CB 3.5Å; D867-L871 PolarHBondContact O-N 3.07Å
868	L	88.4	Confident	85.4	Confident	27 Å²	27	55.1 Å²	55.1	14%	0.141	30%	0.304	C	S	.	.	H	α-helix	trans	-57	-27.9	171.6	177.3	60.9	0	0	0	113.2	G866 R872 D902 I903 Y906	G866-L868 VanDerWaalsContact C-N 3.31Å; G866-L868 PolarHBondContact O-N 3.03Å; L868-R872 HydrophobicContact CD1-CG 4.31Å; L868-R872 VanDerWaalsContact O-CB 3.28Å; L868-R872 WeakPolarHBondContact O-CB 3.44Å; L868-R872 WeakPolarHBondContact O-CD 3.47Å; L868-R872 WeakPolarHBondContact O-CG 3.45Å; L868-R872 PolarHBondContact O-N 3.42Å; L868-D902 HydrophobicContact CD2-CB 3.67Å; L868-I903 HydrophobicContact CB-CD1 4.5Å; L868-I903 HydrophobicContact CB-CG1 3.89Å; L868-I903 HydrophobicContact CD1-CG1 3.96Å; L868-I903 HydrophobicContact CG-CG1 4.5Å; L868-Y906 HydrophobicContact CD1-CD1 4.36Å; L868-Y906 HydrophobicContact CD1-CG 4.01Å
869	N	86.8	Confident	85.3	Confident	117 Å²	117	56.5 Å²	56.5	63%	0.626	30%	0.303	S	S	*	.	H	α-helix	trans	-78.7	-42	-179	-61.4	-49.5	0	0	0	110.7	D867 R872 A873	D867-N869 PolarHBondContact O-N 3.49Å; D867-N869 WeakPolarHBondContact OD1-CA 3.39Å; D867-N869 WeakPolarHBondContact OD1-CB 3.32Å; D867-N869 PolarHBondContact OD1-N 3.04Å; N869-R872 PolarHBondContact O-N 3.34Å; N869-A873 WeakPolarHBondContact O-CB 3.34Å; N869-A873 PolarHBondContact O-N 3.49Å
870	M	86.4	Confident	85	Confident	88 Å²	88	56.9 Å²	56.9	43%	0.433	31%	0.306	S	S	.	.	H	α-helix	trans	-64.8	-44.1	171.5	-175.1	58.9	167.3	0	0	111.4	A862 D867 R872 A873 L874	A862-M870 HydrophobicContact CB-CB 4.14Å; A862-M870 HydrophobicContact CB-CG 4.05Å; D867-M870 HydrophobicContact CB-CB 4Å; D867-M870 VanDerWaalsContact CG-CB 3.45Å; D867-M870 PolarHBondContact O-N 3.12Å; D867-M870 PolarHBondContact OD1-N 3.36Å; D867-M870 WeakPolarHBondContact OD2-CB 3.36Å; M870-R872 VanDerWaalsContact C-N 3.32Å; M870-R872 PolarHBondContact O-N 3.45Å; M870-A873 PolarHBondContact O-N 2.99Å; M870-L874 HydrophobicContact CE-CD1 4.16Å; M870-L874 HydrophobicContact CE-CD2 4.18Å; M870-L874 HydrophobicContact CE-CG 4.23Å; M870-L874 HydrophobicContact CG-CD1 4.06Å; M870-L874 HydrophobicContact CG-CG 4.45Å; M870-L874 WeakPolarHBondContact O-CB 3.23Å; M870-L874 VanDerWaalsContact O-CG 3.31Å; M870-L874 WeakPolarHBondContact O-CG 3.41Å; M870-L874 PolarHBondContact O-N 3.37Å; M870-L874 HydrophobicContact SD-CD1 4.41Å; M870-L874 HydrophobicContact SD-CG 4.27Å
871	L	88.7	Confident	84.9	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.1	-38.5	177.3	-173.1	140.8	0	0	0	112.3	A862 A863 D867 H875 L881 A891 I903 Y906 I907	A862-L871 HydrophobicContact CB-CB 3.85Å; A863-L871 HydrophobicContact CB-CD1 3.67Å; D867-L871 WeakPolarHBondContact O-CB 3.5Å; D867-L871 PolarHBondContact O-N 3.07Å; L871-H875 WeakPolarHBondContact O-CB 3.14Å; L871-H875 PolarHBondContact O-N 3.15Å; L871-H875 VanDerWaalsContact O-N 3.07Å; L871-L881 HydrophobicContact CD2-CD2 4.01Å; L871-L881 HydrophobicContact CG-CD2 4.45Å; L871-A891 HydrophobicContact CD1-CB 4.4Å; L871-I903 HydrophobicContact CD1-CD1 4.44Å; L871-I903 HydrophobicContact CD1-CG2 3.77Å; L871-I903 HydrophobicContact CD2-CG2 4.33Å; L871-Y906 HydrophobicContact CD2-CD1 3.49Å; L871-Y906 VanDerWaalsContact CD2-CD1 3.49Å; L871-Y906 HydrophobicContact CD2-CE1 3.7Å; L871-I907 HydrophobicContact CD2-CG1 4.47Å
872	R	86.4	Confident	84.8	Confident	90 Å²	90	54.2 Å²	54.2	34%	0.34	29%	0.29	S	S	.	.	H	α-helix	trans	-63.4	-50	170.2	-81.1	168.4	176.9	167.3	1.3	112.2	L868 N869 M870 L874 H875 E876 Y906	L868-R872 HydrophobicContact CD1-CG 4.31Å; L868-R872 VanDerWaalsContact O-CB 3.28Å; L868-R872 WeakPolarHBondContact O-CB 3.44Å; L868-R872 WeakPolarHBondContact O-CD 3.47Å; L868-R872 WeakPolarHBondContact O-CG 3.45Å; L868-R872 PolarHBondContact O-N 3.42Å; N869-R872 PolarHBondContact O-N 3.34Å; M870-R872 VanDerWaalsContact C-N 3.32Å; M870-R872 PolarHBondContact O-N 3.45Å; R872-L874 VanDerWaalsContact C-N 3.28Å; R872-L874 PolarHBondContact O-N 2.9Å; R872-H875 PolarHBondContact O-N 3.06Å; R872-E876 WeakPolarHBondContact O-CB 3.45Å; R872-E876 WeakPolarHBondContact O-CG 3.33Å; R872-E876 PolarHBondContact O-N 3.14Å; R872-Y906 HydrophobicContact CG-CD1 4.2Å; R872-Y906 HydrophobicContact CG-CD2 4.01Å; R872-Y906 HydrophobicContact CG-CE1 3.84Å; R872-Y906 HydrophobicContact CG-CE2 3.62Å; R872-Y906 HydrophobicContact CG-CG 4.27Å
873	A	80.1	Confident	84.6	Confident	36 Å²	36	54.1 Å²	54.1	30%	0.298	29%	0.29	S	S	.	.	H	α-helix	trans	-60.6	-37.2	-178.3	0	0	0	0	0	112.3	N869 M870 Q877	N869-A873 WeakPolarHBondContact O-CB 3.34Å; N869-A873 PolarHBondContact O-N 3.49Å; M870-A873 PolarHBondContact O-N 2.99Å; A873-Q877 VanDerWaalsContact O-CG 3.23Å; A873-Q877 WeakPolarHBondContact O-CG 3.08Å; A873-Q877 PolarHBondContact O-N 3.34Å; A873-Q877 PolarHBondContact O-NE2 2.92Å
874	L	82.1	Confident	84.5	Confident	10 Å²	10	57 Å²	57	5%	0.052	31%	0.307	C	S	.	.	H	α-helix	trans	-69.3	-45.2	174.2	-68.5	168.7	0	0	0	111.9	A858 I859 A862 M870 R872 E876 Q877 G878 Y879	A858-L874 VanDerWaalsContact C-CD1 3.48Å; A858-L874 HydrophobicContact CB-CD1 3.73Å; A858-L874 HydrophobicContact CB-CD2 4.22Å; A858-L874 WeakPolarHBondContact O-CD1 3.38Å; I859-L874 HydrophobicContact CD1-CB 4.21Å; I859-L874 HydrophobicContact CG1-CB 3.7Å; I859-L874 HydrophobicContact CG1-CD1 3.91Å; I859-L874 HydrophobicContact CG1-CG 4.45Å; A862-L874 HydrophobicContact CB-CD1 4.46Å; M870-L874 HydrophobicContact CE-CD1 4.16Å; M870-L874 HydrophobicContact CE-CD2 4.18Å; M870-L874 HydrophobicContact CE-CG 4.23Å; M870-L874 HydrophobicContact CG-CD1 4.06Å; M870-L874 HydrophobicContact CG-CG 4.45Å; M870-L874 WeakPolarHBondContact O-CB 3.23Å; M870-L874 VanDerWaalsContact O-CG 3.31Å; M870-L874 WeakPolarHBondContact O-CG 3.41Å; M870-L874 PolarHBondContact O-N 3.37Å; M870-L874 HydrophobicContact SD-CD1 4.41Å; M870-L874 HydrophobicContact SD-CG 4.27Å; R872-L874 VanDerWaalsContact C-N 3.28Å; R872-L874 PolarHBondContact O-N 2.9Å; L874-E876 VanDerWaalsContact C-N 3.35Å; L874-E876 PolarHBondContact O-N 2.92Å; L874-Q877 WeakPolarHBondContact O-CB 3.5Å; L874-Q877 PolarHBondContact O-N 3.23Å; L874-Q877 VanDerWaalsContact O-N 3.1Å; L874-G878 PolarHBondContact O-N 3.35Å; L874-Y879 HydrophobicContact CB-CD2 4.12Å; L874-Y879 HydrophobicContact CD2-CD2 3.76Å; L874-Y879 HydrophobicContact CD2-CE2 3.86Å; L874-Y879 WeakPolarHBondContact O-CB 3.36Å; L874-Y879 WeakPolarHBondContact O-CD2 3.44Å; L874-Y879 PolarHBondContact O-N 2.98Å
875	H	84.1	Confident	84.2	Confident	58 Å²	58	55 Å²	55	27%	0.269	30%	0.299	S	S	.	.	H	α-helix	trans	-64.1	-39.4	177.4	-175	-138	0	0	0	112.1	L871 R872 Q877 G878 L881 Y906	L871-H875 WeakPolarHBondContact O-CB 3.14Å; L871-H875 PolarHBondContact O-N 3.15Å; L871-H875 VanDerWaalsContact O-N 3.07Å; R872-H875 PolarHBondContact O-N 3.06Å; H875-Q877 PolarHBondContact O-N 3.2Å; H875-G878 PolarHBondContact O-N 3.47Å; H875-L881 HydrophobicContact CB-CD2 4.29Å; H875-L881 HydrophobicContact CB-CG 4.48Å; H875-Y906 HydrophobicContact CB-CE1 4.39Å; H875-Y906 AromaticContact ND1-CE1 3.84Å; H875-Y906 AromaticContact ND1-CZ 3.7Å; H875-Y906 PolarHBondContact ND1-OH 3.34Å
876	E	78.8	Confident	83.8	Confident	155 Å²	155	60.6 Å²	60.6	72%	0.724	31%	0.313	S	S	*	.	H	α-helix	trans	-66.6	-19.7	173.7	-72.2	177.1	-169.3	0	0	113.4	R872 L874 G878	R872-E876 WeakPolarHBondContact O-CB 3.45Å; R872-E876 WeakPolarHBondContact O-CG 3.33Å; R872-E876 PolarHBondContact O-N 3.14Å; L874-E876 VanDerWaalsContact C-N 3.35Å; L874-E876 PolarHBondContact O-N 2.92Å; E876-G878 VanDerWaalsContact C-N 3.34Å
877	Q	76.5	Confident	83.5	Confident	132 Å²	132	61.9 Å²	61.9	62%	0.617	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.3	170.5	-74.9	165.2	58.2	0	0	113.5	A873 L874 H875 Y879	A873-Q877 VanDerWaalsContact O-CG 3.23Å; A873-Q877 WeakPolarHBondContact O-CG 3.08Å; A873-Q877 PolarHBondContact O-N 3.34Å; A873-Q877 PolarHBondContact O-NE2 2.92Å; L874-Q877 WeakPolarHBondContact O-CB 3.5Å; L874-Q877 PolarHBondContact O-N 3.23Å; L874-Q877 VanDerWaalsContact O-N 3.1Å; H875-Q877 PolarHBondContact O-N 3.2Å; Q877-Y879 HydrophobicContact CB-CD2 4.04Å; Q877-Y879 HydrophobicContact CB-CE2 4.19Å
878	G	72.1	Confident	83.2	Confident	43 Å²	43	58.8 Å²	58.8	44%	0.443	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.2	13.6	179.5	0	0	0	0	0	115.2	Q854 L874 H875 E876	Q854-G878 PolarHBondContact N-O 3.07Å; L874-G878 PolarHBondContact O-N 3.35Å; H875-G878 PolarHBondContact O-N 3.47Å; E876-G878 VanDerWaalsContact C-N 3.34Å
879	Y	77.6	Confident	83.3	Confident	61 Å²	61	58.6 Å²	58.6	24%	0.239	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-74.2	138.7	168.9	-68.2	-77	0	0	0	110.9	Q854 S856 I859 L874 Q877	Q854-Y879 HydrophobicContact CB-CD1 3.62Å; Q854-Y879 HydrophobicContact CB-CE1 3.87Å; Q854-Y879 CarbonylContact O-C 3.59Å; Q854-Y879 VanDerWaalsContact O-CA 3.24Å; Q854-Y879 WeakPolarHBondContact O-CA 3.46Å; S856-Y879 VanDerWaalsContact CB-CD1 3.44Å; I859-Y879 VanDerWaalsContact CD1-CB 3.45Å; I859-Y879 WeakPolarHBondContact CD1-O 3.42Å; L874-Y879 HydrophobicContact CB-CD2 4.12Å; L874-Y879 HydrophobicContact CD2-CD2 3.76Å; L874-Y879 HydrophobicContact CD2-CE2 3.86Å; L874-Y879 WeakPolarHBondContact O-CB 3.36Å; L874-Y879 WeakPolarHBondContact O-CD2 3.44Å; L874-Y879 PolarHBondContact O-N 2.98Å; Q877-Y879 HydrophobicContact CB-CD2 4.04Å; Q877-Y879 HydrophobicContact CB-CE2 4.19Å
880	S	81.8	Confident	83.6	Confident	8 Å²	8	53 Å²	53	6%	0.056	27%	0.267	C	S	.	.			trans	-76	129.1	-172.5	-166.1	0	0	0	0	113.6	E853 Q854 I859 Q882 S883	E853-S880 VanDerWaalsContact OE2-CB 3.24Å; E853-S880 WeakPolarHBondContact OE2-CB 3.44Å; E853-S880 PolarHBondContact OE2-OG 2.97Å; Q854-S880 PolarHBondContact O-N 3.36Å; I859-S880 WeakPolarHBondContact CD1-O 3.4Å; S880-Q882 PolarHBondContact O-N 3.24Å; S880-Q882 WeakPolarHBondContact OG-CB 3.49Å; S880-Q882 PolarHBondContact OG-N 3.4Å; S880-S883 WeakPolarHBondContact O-CB 3.48Å; S880-S883 PolarHBondContact O-N 3.37Å; S880-S883 VanDerWaalsContact O-N 3.11Å; S880-S883 PolarHBondContact O-OG 2.96Å
881	L	85.5	Confident	83.8	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.026	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.9	163.8	-64.9	177.8	0	0	0	112.9	I859 L871 H875 S883 I907 A911 L915	I859-L881 HydrophobicContact CD1-CD2 4.39Å; I859-L881 HydrophobicContact CG2-CD2 4.45Å; L871-L881 HydrophobicContact CD2-CD2 4.01Å; L871-L881 HydrophobicContact CG-CD2 4.45Å; H875-L881 HydrophobicContact CB-CD2 4.29Å; H875-L881 HydrophobicContact CB-CG 4.48Å; L881-S883 VanDerWaalsContact C-N 3.29Å; L881-I907 HydrophobicContact CD2-CG1 4.36Å; L881-A911 HydrophobicContact CD1-CB 4.18Å; L881-L915 HydrophobicContact CB-CD2 3.94Å; L881-L915 WeakPolarHBondContact O-CD2 3.42Å
882	Q	85.4	Confident	84.1	Confident	56 Å²	56	48.9 Å²	48.9	26%	0.262	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	5.2	172.9	-54	174.3	100.5	0	0	112.8	E853 S880 L915	E853-Q882 PolarHBondContact OE2-NE2 2.67Å; S880-Q882 PolarHBondContact O-N 3.24Å; S880-Q882 WeakPolarHBondContact OG-CB 3.49Å; S880-Q882 PolarHBondContact OG-N 3.4Å; Q882-L915 HydrophobicContact CG-CD1 4.38Å
883	S	85	Confident	84.5	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.014	23%	0.231	C	C	.	.			trans	-54.8	142.9	169.5	-59.8	0	0	0	0	110.5	T855 S856 S880 L881 T890	T855-S883 WeakPolarHBondContact CA-OG 3.45Å; S856-S883 PolarHBondContact N-OG 2.91Å; S880-S883 WeakPolarHBondContact O-CB 3.48Å; S880-S883 PolarHBondContact O-N 3.37Å; S880-S883 VanDerWaalsContact O-N 3.11Å; S880-S883 PolarHBondContact O-OG 2.96Å; L881-S883 VanDerWaalsContact C-N 3.29Å; S883-T890 WeakPolarHBondContact O-CA 3.46Å
884	V	87.4	Confident	85.1	Confident	61 Å²	61	43.9 Å²	43.9	37%	0.37	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-134.1	145.6	179.5	-72.9	0	0	0	0	110.7	G888 Q889 T890 M918	V884-G888 VanDerWaalsContact CG1-O 3.25Å; V884-G888 WeakPolarHBondContact CG1-O 3.48Å; V884-Q889 WeakPolarHBondContact CA-O 3.45Å; V884-T890 HydrophobicContact CG1-CG2 3.48Å; V884-T890 VanDerWaalsContact CG1-CG2 3.48Å; V884-M918 HydrophobicContact CG1-CE 3.78Å
885	N	84.9	Confident	85.7	Confident	31 Å²	31	43.4 Å²	43.4	17%	0.166	22%	0.218	C	C	.	.			trans	-74.4	-179.5	169.2	70.4	0	0	0	0	110.9	L860 N887 G888 Q889	L860-N885 HydrophobicContact CD1-CB 3.87Å; L860-N885 VanDerWaalsContact CD1-N 3.3Å; N885-N887 PolarHBondContact O-N 2.83Å; N885-N887 VanDerWaalsContact O-N 3.12Å; N885-N887 WeakPolarHBondContact OD1-CA 3.42Å; N885-N887 WeakPolarHBondContact OD1-CB 3.28Å; N885-N887 PolarHBondContact OD1-N 2.91Å; N885-G888 PolarHBondContact O-N 2.99Å; N885-G888 PolarHBondContact OD1-N 3.49Å; N885-Q889 PolarHBondContact N-O 3.33Å; N885-Q889 VanDerWaalsContact N-O 3.11Å; N885-Q889 PolarHBondContact ND2-OE1 3.11Å; N885-Q889 VanDerWaalsContact ND2-OE1 3.12Å; N885-Q889 WeakPolarHBondContact OD1-CB 3.34Å; N885-Q889 PolarHBondContact OD1-N 2.95Å
886	K	82.5	Confident	86.2	Confident	197 Å²	197	40.7 Å²	40.7	86%	0.857	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	-34.7	175.5	-61.6	179.5	-177.7	178.1	0	112.5	G888	K886-G888 VanDerWaalsContact C-N 3.3Å; K886-G888 PolarHBondContact O-N 3.18Å
887	N	82.5	Confident	86.9	Confident	53 Å²	53	37.2 Å²	37.2	28%	0.283	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	1.4	-177	-49	29.2	0	0	0	112.6	N885 Q889 K921 E922	N885-N887 PolarHBondContact O-N 2.83Å; N885-N887 VanDerWaalsContact O-N 3.12Å; N885-N887 WeakPolarHBondContact OD1-CA 3.42Å; N885-N887 WeakPolarHBondContact OD1-CB 3.28Å; N885-N887 PolarHBondContact OD1-N 2.91Å; N887-Q889 VanDerWaalsContact C-N 3.32Å; N887-Q889 PolarHBondContact O-N 2.84Å; N887-K921 WeakPolarHBondContact O-CB 3.45Å; N887-K921 PolarHBondContact O-N 2.93Å; N887-E922 HydrophobicContact CB-CG 4.05Å; N887-E922 WeakPolarHBondContact CB-OE2 3.4Å; N887-E922 PolarHBondContact ND2-OE1 3.23Å; N887-E922 PolarHBondContact ND2-OE2 2.89Å
888	G	84.8	Confident	87.7	Confident	4 Å²	4	36 Å²	36	4%	0.041	18%	0.178	C	C	.	.			trans	81.8	0.2	-179.3	0	0	0	0	0	115.6	V884 N885 K886 T890	V884-G888 VanDerWaalsContact CG1-O 3.25Å; V884-G888 WeakPolarHBondContact CG1-O 3.48Å; N885-G888 PolarHBondContact O-N 2.99Å; N885-G888 PolarHBondContact OD1-N 3.49Å; K886-G888 VanDerWaalsContact C-N 3.3Å; K886-G888 PolarHBondContact O-N 3.18Å; G888-T890 PolarHBondContact O-N 3.46Å
889	Q	89.5	Confident	88.6	Confident	24 Å²	24	36.6 Å²	36.6	11%	0.112	17%	0.171	C	C	.	.			trans	-76.2	125.6	-176.9	-65	164.5	-17.9	0	0	110.9	V884 N885 N887 H893 F894 D920	V884-Q889 WeakPolarHBondContact CA-O 3.45Å; N885-Q889 PolarHBondContact N-O 3.33Å; N885-Q889 VanDerWaalsContact N-O 3.11Å; N885-Q889 PolarHBondContact ND2-OE1 3.11Å; N885-Q889 VanDerWaalsContact ND2-OE1 3.12Å; N885-Q889 WeakPolarHBondContact OD1-CB 3.34Å; N885-Q889 PolarHBondContact OD1-N 2.95Å; N887-Q889 VanDerWaalsContact C-N 3.32Å; N887-Q889 PolarHBondContact O-N 2.84Å; Q889-H893 HydrophobicContact CB-CB 4.17Å; Q889-F894 HydrophobicContact CB-CE2 3.97Å; Q889-F894 HydrophobicContact CB-CZ 4.19Å; Q889-D920 HydrophobicContact CG-CB 3.63Å
890	T	92.8	Very high	89.5	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-87.5	169.9	176.6	72.7	0	0	0	0	111.8	S883 V884 G888 L892 H893 F894 L915 M918	S883-T890 WeakPolarHBondContact O-CA 3.46Å; V884-T890 HydrophobicContact CG1-CG2 3.48Å; V884-T890 VanDerWaalsContact CG1-CG2 3.48Å; G888-T890 PolarHBondContact O-N 3.46Å; T890-L892 PolarHBondContact O-N 3.45Å; T890-L892 VanDerWaalsContact O-N 3.1Å; T890-L892 PolarHBondContact OG1-N 2.9Å; T890-H893 PolarHBondContact N-ND1 3.31Å; T890-H893 WeakPolarHBondContact O-CB 3.41Å; T890-H893 PolarHBondContact O-N 3.34Å; T890-H893 PolarHBondContact OG1-ND1 3.33Å; T890-F894 WeakPolarHBondContact O-CD2 3.32Å; T890-F894 PolarHBondContact O-N 3.29Å; T890-L915 HydrophobicContact CG2-CD1 3.6Å; T890-M918 HydrophobicContact CG2-CB 4.32Å; T890-M918 HydrophobicContact CG2-CE 3.67Å; T890-M918 HydrophobicContact CG2-SD 3.9Å
891	A	91.1	Very high	89.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-50.9	-33.4	171.4	0	0	0	0	0	113.4	I859 L860 A863 L871 A895 I907	I859-A891 HydrophobicContact CG2-CB 3.82Å; L860-A891 HydrophobicContact CD2-CB 4.25Å; L860-A891 VanDerWaalsContact CD2-N 3.28Å; A863-A891 HydrophobicContact CB-CB 3.67Å; A863-A891 WeakPolarHBondContact CB-O 3.33Å; L871-A891 HydrophobicContact CD1-CB 4.4Å; A891-A895 WeakPolarHBondContact O-CB 3.43Å; A891-A895 PolarHBondContact O-N 3.06Å; A891-I907 HydrophobicContact CB-CD1 3.77Å
892	L	94.6	Very high	90	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.5	-37.1	178.9	-169.3	61.5	0	0	0	112.2	T890 A895 C896 V904 I907 I916 A927 L943	T890-L892 PolarHBondContact O-N 3.45Å; T890-L892 VanDerWaalsContact O-N 3.1Å; T890-L892 PolarHBondContact OG1-N 2.9Å; L892-A895 PolarHBondContact O-N 2.99Å; L892-C896 WeakPolarHBondContact O-CB 3.42Å; L892-C896 PolarHBondContact O-N 3.47Å; L892-C896 PolarHBondContact O-SG 2.86Å; L892-V904 HydrophobicContact CD1-CG1 4.28Å; L892-V904 HydrophobicContact CD1-CG2 4.41Å; L892-I907 HydrophobicContact CB-CD1 4.38Å; L892-I907 HydrophobicContact CB-CG2 4.26Å; L892-I907 HydrophobicContact CD1-CB 4.17Å; L892-I907 HydrophobicContact CD1-CD1 4.39Å; L892-I907 HydrophobicContact CD1-CG2 4Å; L892-I916 HydrophobicContact CD2-CG1 4.48Å; L892-A927 HydrophobicContact CB-CB 4.43Å; L892-A927 HydrophobicContact CD2-CB 3.74Å; L892-A927 HydrophobicContact CG-CB 3.69Å; L892-L943 HydrophobicContact CD1-CD2 4.32Å; L892-L943 HydrophobicContact CD2-CD2 4.01Å; L892-L943 HydrophobicContact CG-CD2 4.4Å
893	H	94.5	Very high	90.3	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.014	19%	0.193	C	C	.	.	H	α-helix	trans	-63.6	-46.1	177.7	-65.8	77.6	0	0	0	110.7	Q889 T890 C896 K897 M918 Q925 A927 I930	Q889-H893 HydrophobicContact CB-CB 4.17Å; T890-H893 PolarHBondContact N-ND1 3.31Å; T890-H893 WeakPolarHBondContact O-CB 3.41Å; T890-H893 PolarHBondContact O-N 3.34Å; T890-H893 PolarHBondContact OG1-ND1 3.33Å; H893-C896 PolarHBondContact O-N 3.22Å; H893-K897 WeakPolarHBondContact O-CB 3.34Å; H893-K897 PolarHBondContact O-N 3.32Å; H893-M918 PolarHBondContact CE1-O 2.91Å; H893-M918 PolarHBondContact NE2-O 3Å; H893-M918 VanDerWaalsContact NE2-O 3.16Å; H893-Q925 PolarHBondContact NE2-O 3.38Å; H893-A927 PolarHBondContact NE2-N 3.5Å; H893-I930 HydrophobicContact CB-CD1 3.92Å
894	F	93.9	Very high	90.7	Very high	19 Å²	19	41 Å²	41	8%	0.083	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-47.1	174.5	-71.1	-66.9	0	0	0	112.5	L860 A863 Q864 Q889 T890 C896 K897 Y898	L860-F894 HydrophobicContact CB-CD2 4.3Å; L860-F894 HydrophobicContact CB-CE2 4.14Å; L860-F894 HydrophobicContact CD2-CD2 4.31Å; L860-F894 HydrophobicContact CD2-CE2 4.34Å; A863-F894 HydrophobicContact CB-CB 4.14Å; Q864-F894 HydrophobicContact CB-CB 4.42Å; Q864-F894 HydrophobicContact CB-CD1 4.25Å; Q864-F894 HydrophobicContact CB-CG 4.4Å; Q864-F894 HydrophobicContact CG-CD1 4.5Å; Q889-F894 HydrophobicContact CB-CE2 3.97Å; Q889-F894 HydrophobicContact CB-CZ 4.19Å; T890-F894 WeakPolarHBondContact O-CD2 3.32Å; T890-F894 PolarHBondContact O-N 3.29Å; F894-C896 VanDerWaalsContact C-N 3.27Å; F894-C896 PolarHBondContact O-N 3.47Å; F894-K897 PolarHBondContact O-N 3.19Å; F894-Y898 HydrophobicContact CD1-CE2 4.1Å; F894-Y898 WeakPolarHBondContact O-CD2 3.44Å; F894-Y898 PolarHBondContact O-N 2.94Å
895	A	94.2	Very high	90.7	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62	-34.3	179.4	0	0	0	0	0	112.8	A891 L892 N899 H900 I903 V904	A891-A895 WeakPolarHBondContact O-CB 3.43Å; A891-A895 PolarHBondContact O-N 3.06Å; L892-A895 PolarHBondContact O-N 2.99Å; A895-N899 PolarHBondContact O-N 3.29Å; A895-H900 HydrophobicContact CB-CB 4.29Å; A895-H900 PolarHBondContact O-N 3.15Å; A895-I903 HydrophobicContact CB-CB 4.01Å; A895-I903 HydrophobicContact CB-CG2 3.62Å; A895-V904 HydrophobicContact CB-CG2 3.73Å
896	C	94.7	Very high	90.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-71.9	-46.4	174.4	-63.8	0	0	0	0	112	L892 H893 F894 Y898 N899 I930 A931 I939	L892-C896 WeakPolarHBondContact O-CB 3.42Å; L892-C896 PolarHBondContact O-N 3.47Å; L892-C896 PolarHBondContact O-SG 2.86Å; H893-C896 PolarHBondContact O-N 3.22Å; F894-C896 VanDerWaalsContact C-N 3.27Å; F894-C896 PolarHBondContact O-N 3.47Å; C896-Y898 VanDerWaalsContact C-N 3.34Å; C896-Y898 PolarHBondContact O-N 3.3Å; C896-N899 PolarHBondContact O-N 2.91Å; C896-I930 HydrophobicContact CB-CG2 4.34Å; C896-A931 HydrophobicContact CB-CB 4.29Å; C896-I939 HydrophobicContact CB-CG2 4.14Å; C896-I939 VanDerWaalsContact SG-CG2 3.59Å
897	K	93.6	Very high	91.1	Very high	83 Å²	83	33.8 Å²	33.8	36%	0.361	15%	0.153	S	C	.	.	H	α-helix	trans	-55.2	-48.2	179.3	-166.2	166.6	-173.8	165.4	0	112	H893 F894 I930	H893-K897 WeakPolarHBondContact O-CB 3.34Å; H893-K897 PolarHBondContact O-N 3.32Å; F894-K897 PolarHBondContact O-N 3.19Å; K897-I930 HydrophobicContact CB-CG2 3.74Å; K897-I930 HydrophobicContact CG-CG2 4.26Å
898	Y	92.4	Very high	91.3	Very high	105 Å²	105	33.4 Å²	33.4	41%	0.412	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	10.5	-176.3	-64.2	-72.4	0	0	0	114.8	Q864 F894 C896 H900	Q864-Y898 HydrophobicContact CB-CE2 4.45Å; Q864-Y898 HydrophobicContact CG-CD2 4.22Å; Q864-Y898 HydrophobicContact CG-CE2 3.68Å; Q864-Y898 PolarHBondContact NE2-OH 2.79Å; F894-Y898 HydrophobicContact CD1-CE2 4.1Å; F894-Y898 WeakPolarHBondContact O-CD2 3.44Å; F894-Y898 PolarHBondContact O-N 2.94Å; C896-Y898 VanDerWaalsContact C-N 3.34Å; C896-Y898 PolarHBondContact O-N 3.3Å; Y898-H900 VanDerWaalsContact C-N 3.29Å; Y898-H900 VanDerWaalsContact CB-CD2 3.47Å; Y898-H900 WeakPolarHBondContact CB-CD2 3.34Å; Y898-H900 WeakPolarHBondContact CB-NE2 3.46Å; Y898-H900 PolarHBondContact O-N 3.01Å
899	N	92.7	Very high	91.2	Very high	57 Å²	57	37.3 Å²	37.3	31%	0.305	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	28.6	177.9	-169.4	39.3	0	0	0	114.9	A895 C896 R901 I939	A895-N899 PolarHBondContact O-N 3.29Å; C896-N899 PolarHBondContact O-N 2.91Å; N899-R901 PolarHBondContact O-N 3.28Å; N899-R901 PolarHBondContact OD1-NE 3.07Å; N899-I939 HydrophobicContact CB-CD1 4.49Å
900	H	95.1	Very high	90.7	Very high	47 Å²	47	38.4 Å²	38.4	22%	0.218	19%	0.193	C	C	.	.			trans	-78.5	67.8	-179.6	-64.4	-48.2	0	0	0	111.6	A863 Q864 G866 A895 Y898 D902 I903 V904	A863-H900 PolarHBondContact O-CD2 2.97Å; A863-H900 VanDerWaalsContact O-CD2 3.22Å; Q864-H900 PolarHBondContact O-NE2 3.04Å; G866-H900 WeakPolarHBondContact CA-CE1 3.44Å; G866-H900 WeakPolarHBondContact CA-ND1 3.35Å; G866-H900 WeakPolarHBondContact CA-NE2 3.36Å; G866-H900 PolarHBondContact N-NE2 2.86Å; A895-H900 HydrophobicContact CB-CB 4.29Å; A895-H900 PolarHBondContact O-N 3.15Å; Y898-H900 VanDerWaalsContact C-N 3.29Å; Y898-H900 VanDerWaalsContact CB-CD2 3.47Å; Y898-H900 WeakPolarHBondContact CB-CD2 3.34Å; Y898-H900 WeakPolarHBondContact CB-NE2 3.46Å; Y898-H900 PolarHBondContact O-N 3.01Å; H900-D902 VanDerWaalsContact C-N 3.26Å; H900-D902 PolarHBondContact O-N 3.24Å; H900-D902 VanDerWaalsContact O-N 3.11Å; H900-I903 HydrophobicContact CB-CB 4.14Å; H900-I903 HydrophobicContact CB-CD1 4.2Å; H900-I903 HydrophobicContact CB-CG1 4.29Å; H900-I903 WeakPolarHBondContact O-CA 3.47Å; H900-I903 WeakPolarHBondContact O-CB 3.48Å; H900-I903 PolarHBondContact O-N 2.83Å; H900-V904 PolarHBondContact O-N 3.2Å
901	R	91	Very high	89.8	Confident	89 Å²	89	40 Å²	40	34%	0.336	21%	0.206	S	C	.	.	H	α-helix	trans	-50	-39.1	-171.6	-70.1	165.4	177.5	-131.1	-8.7	114.2	N899 V904 K905 D938 I939 M942	N899-R901 PolarHBondContact O-N 3.28Å; N899-R901 PolarHBondContact OD1-NE 3.07Å; R901-V904 WeakPolarHBondContact O-CB 3.43Å; R901-V904 PolarHBondContact O-N 3.15Å; R901-K905 VanDerWaalsContact O-CG 3.3Å; R901-K905 WeakPolarHBondContact O-CG 3.42Å; R901-K905 PolarHBondContact O-N 3.41Å; R901-D938 IonicContact CZ-OD2 2.71Å; R901-D938 IonicContact NH1-OD2 3.54Å; R901-D938 PolarHBondContact NH1-OD2 3.1Å; R901-D938 IonicContact NH2-OD2 2.66Å; R901-D938 PolarHBondContact NH2-OD2 3.35Å; R901-I939 HydrophobicContact CG-CD1 4.01Å; R901-I939 HydrophobicContact CG-CG1 3.94Å; R901-M942 HydrophobicContact CB-CE 4.26Å; R901-M942 HydrophobicContact CG-CE 4.33Å
902	D	88.6	Confident	88.9	Confident	86 Å²	86	43.5 Å²	43.5	46%	0.46	23%	0.228	S	C	.	.	H	α-helix	trans	-80.6	-21.8	-177.7	-61.4	-47.8	0	0	0	113.3	L868 H900 K905 Y906	L868-D902 HydrophobicContact CD2-CB 3.67Å; H900-D902 VanDerWaalsContact C-N 3.26Å; H900-D902 PolarHBondContact O-N 3.24Å; H900-D902 VanDerWaalsContact O-N 3.11Å; D902-K905 WeakPolarHBondContact OD1-CD 3.46Å; D902-K905 WeakPolarHBondContact OD1-CE 3.35Å; D902-K905 IonicContact OD1-NZ 2.71Å; D902-K905 PolarHBondContact OD1-NZ 3.11Å; D902-Y906 WeakPolarHBondContact O-CB 3.49Å; D902-Y906 PolarHBondContact O-N 2.67Å
903	I	90.9	Very high	87.7	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.015	26%	0.264	C	S	.	.	H	α-helix	trans	-72	-44.4	164.4	-63.5	-175.2	0	0	0	109.9	L868 L871 A895 H900 K905 Y906 I907	L868-I903 HydrophobicContact CB-CD1 4.5Å; L868-I903 HydrophobicContact CB-CG1 3.89Å; L868-I903 HydrophobicContact CD1-CG1 3.96Å; L868-I903 HydrophobicContact CG-CG1 4.5Å; L871-I903 HydrophobicContact CD1-CD1 4.44Å; L871-I903 HydrophobicContact CD1-CG2 3.77Å; L871-I903 HydrophobicContact CD2-CG2 4.33Å; A895-I903 HydrophobicContact CB-CB 4.01Å; A895-I903 HydrophobicContact CB-CG2 3.62Å; H900-I903 HydrophobicContact CB-CB 4.14Å; H900-I903 HydrophobicContact CB-CD1 4.2Å; H900-I903 HydrophobicContact CB-CG1 4.29Å; H900-I903 WeakPolarHBondContact O-CA 3.47Å; H900-I903 WeakPolarHBondContact O-CB 3.48Å; H900-I903 PolarHBondContact O-N 2.83Å; I903-K905 PolarHBondContact O-N 3.31Å; I903-Y906 PolarHBondContact O-N 3.29Å; I903-Y906 VanDerWaalsContact O-N 3.13Å; I903-I907 HydrophobicContact CG2-CD1 3.62Å; I903-I907 HydrophobicContact CG2-CG1 4.14Å; I903-I907 WeakPolarHBondContact O-CG1 3.35Å; I903-I907 PolarHBondContact O-N 3.05Å
904	V	93	Very high	86.9	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-55.4	-50.1	174	173.8	0	0	0	0	110.9	L892 A895 H900 R901 Y906 I907 I908 I939 M942	L892-V904 HydrophobicContact CD1-CG1 4.28Å; L892-V904 HydrophobicContact CD1-CG2 4.41Å; A895-V904 HydrophobicContact CB-CG2 3.73Å; H900-V904 PolarHBondContact O-N 3.2Å; R901-V904 WeakPolarHBondContact O-CB 3.43Å; R901-V904 PolarHBondContact O-N 3.15Å; V904-Y906 VanDerWaalsContact C-N 3.34Å; V904-Y906 PolarHBondContact O-N 2.58Å; V904-I907 PolarHBondContact O-N 3.31Å; V904-I908 HydrophobicContact CG1-CD1 3.6Å; V904-I908 HydrophobicContact CG1-CG1 4.39Å; V904-I908 WeakPolarHBondContact O-CB 3.11Å; V904-I908 VanDerWaalsContact O-CG1 3.29Å; V904-I908 WeakPolarHBondContact O-CG1 3.16Å; V904-I908 PolarHBondContact O-N 2.69Å; V904-I939 HydrophobicContact CG1-CG2 4.26Å; V904-I939 HydrophobicContact CG2-CD1 4.21Å; V904-I939 HydrophobicContact CG2-CG2 4.26Å; V904-M942 HydrophobicContact CB-CE 4.36Å; V904-M942 HydrophobicContact CG1-CE 4.05Å
905	K	88.1	Confident	86.5	Confident	103 Å²	103	61 Å²	61	45%	0.448	29%	0.293	S	S	.	.	H	α-helix	trans	-56.7	-45.1	174.6	-69.8	169.5	-159.5	164.5	0	112.3	R901 D902 I903 A909 M942	R901-K905 VanDerWaalsContact O-CG 3.3Å; R901-K905 WeakPolarHBondContact O-CG 3.42Å; R901-K905 PolarHBondContact O-N 3.41Å; D902-K905 WeakPolarHBondContact OD1-CD 3.46Å; D902-K905 WeakPolarHBondContact OD1-CE 3.35Å; D902-K905 IonicContact OD1-NZ 2.71Å; D902-K905 PolarHBondContact OD1-NZ 3.11Å; I903-K905 PolarHBondContact O-N 3.31Å; K905-A909 VanDerWaalsContact O-CB 3.23Å; K905-A909 WeakPolarHBondContact O-CB 3.4Å; K905-A909 PolarHBondContact O-N 3.23Å; K905-M942 HydrophobicContact CD-SD 4.2Å; K905-M942 HydrophobicContact CG-CE 4.47Å; K905-M942 HydrophobicContact CG-SD 3.47Å; K905-M942 WeakPolarHBondContact CG-SD 3.34Å
906	Y	87.4	Confident	86.2	Confident	33 Å²	33	61.5 Å²	61.5	13%	0.129	30%	0.295	C	S	.	.	H	α-helix	trans	-66.9	-42.5	-178.3	178.9	-101.6	0	0	0	112.3	L868 L871 R872 H875 D902 I903 V904 A909 S910	L868-Y906 HydrophobicContact CD1-CD1 4.36Å; L868-Y906 HydrophobicContact CD1-CG 4.01Å; L871-Y906 HydrophobicContact CD2-CD1 3.49Å; L871-Y906 VanDerWaalsContact CD2-CD1 3.49Å; L871-Y906 HydrophobicContact CD2-CE1 3.7Å; R872-Y906 HydrophobicContact CG-CD1 4.2Å; R872-Y906 HydrophobicContact CG-CD2 4.01Å; R872-Y906 HydrophobicContact CG-CE1 3.84Å; R872-Y906 HydrophobicContact CG-CE2 3.62Å; R872-Y906 HydrophobicContact CG-CG 4.27Å; H875-Y906 HydrophobicContact CB-CE1 4.39Å; H875-Y906 AromaticContact ND1-CE1 3.84Å; H875-Y906 AromaticContact ND1-CZ 3.7Å; H875-Y906 PolarHBondContact ND1-OH 3.34Å; D902-Y906 WeakPolarHBondContact O-CB 3.49Å; D902-Y906 PolarHBondContact O-N 2.67Å; I903-Y906 PolarHBondContact O-N 3.29Å; I903-Y906 VanDerWaalsContact O-N 3.13Å; V904-Y906 VanDerWaalsContact C-N 3.34Å; V904-Y906 PolarHBondContact O-N 2.58Å; Y906-A909 PolarHBondContact O-N 2.79Å; Y906-S910 WeakPolarHBondContact O-CB 3.37Å; Y906-S910 PolarHBondContact O-N 2.87Å; Y906-S910 VanDerWaalsContact O-N 3.08Å; Y906-S910 PolarHBondContact O-OG 2.95Å
907	I	87.1	Confident	86	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-65.3	-47.6	176.6	-65.2	173.1	0	0	0	110.2	L871 L881 A891 L892 I903 V904 A909 S910 A911 L915	L871-I907 HydrophobicContact CD2-CG1 4.47Å; L881-I907 HydrophobicContact CD2-CG1 4.36Å; A891-I907 HydrophobicContact CB-CD1 3.77Å; L892-I907 HydrophobicContact CB-CD1 4.38Å; L892-I907 HydrophobicContact CB-CG2 4.26Å; L892-I907 HydrophobicContact CD1-CB 4.17Å; L892-I907 HydrophobicContact CD1-CD1 4.39Å; L892-I907 HydrophobicContact CD1-CG2 4Å; I903-I907 HydrophobicContact CG2-CD1 3.62Å; I903-I907 HydrophobicContact CG2-CG1 4.14Å; I903-I907 WeakPolarHBondContact O-CG1 3.35Å; I903-I907 PolarHBondContact O-N 3.05Å; V904-I907 PolarHBondContact O-N 3.31Å; I907-A909 VanDerWaalsContact C-N 3.27Å; I907-A909 PolarHBondContact O-N 3.1Å; I907-S910 PolarHBondContact O-N 3.48Å; I907-S910 VanDerWaalsContact O-N 3.12Å; I907-A911 HydrophobicContact CG2-CB 4.08Å; I907-A911 WeakPolarHBondContact O-CB 3.17Å; I907-A911 PolarHBondContact O-N 3.2Å; I907-L915 HydrophobicContact CG2-CD2 3.59Å
908	I	87.6	Confident	85.8	Confident	44 Å²	44	61.8 Å²	61.8	23%	0.226	30%	0.3	C	S	.	.	H	α-helix	trans	-56.7	-40.5	175.8	-73.4	170.9	0	0	0	111.7	V904 S910 M942 L943 A946	V904-I908 HydrophobicContact CG1-CD1 3.6Å; V904-I908 HydrophobicContact CG1-CG1 4.39Å; V904-I908 WeakPolarHBondContact O-CB 3.11Å; V904-I908 VanDerWaalsContact O-CG1 3.29Å; V904-I908 WeakPolarHBondContact O-CG1 3.16Å; V904-I908 PolarHBondContact O-N 2.69Å; I908-S910 VanDerWaalsContact C-N 3.35Å; I908-M942 HydrophobicContact CD1-CB 4.1Å; I908-L943 HydrophobicContact CD1-CD2 4.15Å; I908-A946 HydrophobicContact CB-CB 4.45Å; I908-A946 HydrophobicContact CD1-CB 4.07Å; I908-A946 HydrophobicContact CG1-CB 4.08Å; I908-A946 HydrophobicContact CG2-CB 3.58Å
909	A	82.3	Confident	85.7	Confident	86 Å²	86	58.9 Å²	58.9	71%	0.711	30%	0.298	S	S	*	.	H	α-helix	trans	-77.3	-15.3	-179.6	0	0	0	0	0	114.6	K905 Y906 I907	K905-A909 VanDerWaalsContact O-CB 3.23Å; K905-A909 WeakPolarHBondContact O-CB 3.4Å; K905-A909 PolarHBondContact O-N 3.23Å; Y906-A909 PolarHBondContact O-N 2.79Å; I907-A909 VanDerWaalsContact C-N 3.27Å; I907-A909 PolarHBondContact O-N 3.1Å
910	S	78.4	Confident	85.6	Confident	48 Å²	48	56.6 Å²	56.6	34%	0.336	29%	0.286	S	S	.	.	H	α-helix	trans	-124	-15.4	-168.4	-44	0	0	0	0	114.9	Y906 I907 I908	Y906-S910 WeakPolarHBondContact O-CB 3.37Å; Y906-S910 PolarHBondContact O-N 2.87Å; Y906-S910 VanDerWaalsContact O-N 3.08Å; Y906-S910 PolarHBondContact O-OG 2.95Å; I907-S910 PolarHBondContact O-N 3.48Å; I907-S910 VanDerWaalsContact O-N 3.12Å; I908-S910 VanDerWaalsContact C-N 3.35Å
911	A	74.8	Confident	85.2	Confident	32 Å²	32	62.2 Å²	62.2	26%	0.264	31%	0.309	S	S	.	.	S	Bend	trans	-103.6	167.9	-175.6	0	0	0	0	0	113.5	L881 I907 L915	L881-A911 HydrophobicContact CD1-CB 4.18Å; I907-A911 HydrophobicContact CG2-CB 4.08Å; I907-A911 WeakPolarHBondContact O-CB 3.17Å; I907-A911 PolarHBondContact O-N 3.2Å; A911-L915 HydrophobicContact CB-CB 4.21Å; A911-L915 HydrophobicContact CB-CD2 3.47Å; A911-L915 VanDerWaalsContact CB-CD2 3.47Å; A911-L915 HydrophobicContact CB-CG 4.43Å
912	T	72	Confident	84.9	Confident	75 Å²	75	63.3 Å²	63.3	46%	0.46	32%	0.319	S	S	.	.			trans	-75.6	152.1	175	67.1	0	0	0	0	111.2	R914 L915	T912-R914 PolarHBondContact O-N 3.29Å; T912-L915 WeakPolarHBondContact O-CB 3.31Å; T912-L915 PolarHBondContact O-N 3.14Å
913	R	69.9	Low	84.8	Confident	201 Å²	201	63.7 Å²	63.7	76%	0.758	32%	0.32	S	S	*	.	H	α-helix	trans	-55.3	-24.2	177.2	-72.5	-171	177.6	-154.3	-1.9	114	L915 I916	R913-L915 VanDerWaalsContact C-N 3.3Å; R913-L915 PolarHBondContact O-N 3.47Å; R913-I916 PolarHBondContact O-N 3.22Å
914	R	77.4	Confident	84.8	Confident	189 Å²	189	64.2 Å²	64.2	71%	0.713	33%	0.326	S	S	*	.	H	α-helix	trans	-59.5	-40	175.3	-170.9	-179.8	-175.7	-174.9	1.5	111.7	T912 I916 N917 M918	T912-R914 PolarHBondContact O-N 3.29Å; R914-I916 VanDerWaalsContact C-N 3.32Å; R914-I916 PolarHBondContact O-N 3.44Å; R914-N917 CarbonylContact O-C 3.58Å; R914-N917 PolarHBondContact O-N 3Å; R914-M918 WeakPolarHBondContact O-CG 3.48Å; R914-M918 PolarHBondContact O-N 2.9Å
915	L	85.3	Confident	84.8	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-65.4	-33.8	-175.4	-176.5	60.4	0	0	0	113.3	L881 Q882 T890 I907 A911 T912 R913 N917 M918	L881-L915 HydrophobicContact CB-CD2 3.94Å; L881-L915 WeakPolarHBondContact O-CD2 3.42Å; Q882-L915 HydrophobicContact CG-CD1 4.38Å; T890-L915 HydrophobicContact CG2-CD1 3.6Å; I907-L915 HydrophobicContact CG2-CD2 3.59Å; A911-L915 HydrophobicContact CB-CB 4.21Å; A911-L915 HydrophobicContact CB-CD2 3.47Å; A911-L915 VanDerWaalsContact CB-CD2 3.47Å; A911-L915 HydrophobicContact CB-CG 4.43Å; T912-L915 WeakPolarHBondContact O-CB 3.31Å; T912-L915 PolarHBondContact O-N 3.14Å; R913-L915 VanDerWaalsContact C-N 3.3Å; R913-L915 PolarHBondContact O-N 3.47Å; L915-N917 PolarHBondContact O-N 3.32Å; L915-M918 HydrophobicContact CD1-SD 3.7Å; L915-M918 PolarHBondContact O-N 3.04Å
916	I	88.3	Confident	85.1	Confident	9 Å²	9	60.2 Å²	60.2	5%	0.046	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-33.3	-179.9	-62.4	165	0	0	0	111	L892 R913 R914 L943 A946 A948	L892-I916 HydrophobicContact CD2-CG1 4.48Å; R913-I916 PolarHBondContact O-N 3.22Å; R914-I916 VanDerWaalsContact C-N 3.32Å; R914-I916 PolarHBondContact O-N 3.44Å; I916-L943 HydrophobicContact CG2-CD2 4.38Å; I916-A946 HydrophobicContact CD1-CB 3.76Å; I916-A948 HydrophobicContact CG2-CB 3.77Å
917	N	89.9	Confident	85.4	Confident	43 Å²	43	58.7 Å²	58.7	23%	0.23	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	20	-174	-64.5	-48.2	0	0	0	113	R914 L915 G947 A948 H949	R914-N917 CarbonylContact O-C 3.58Å; R914-N917 PolarHBondContact O-N 3Å; L915-N917 PolarHBondContact O-N 3.32Å; N917-G947 PolarHBondContact ND2-O 2.97Å; N917-A948 VanDerWaalsContact OD1-CA 3.26Å; N917-A948 WeakPolarHBondContact OD1-CA 3.27Å; N917-H949 VanDerWaalsContact CG-CD2 3.43Å; N917-H949 PolarHBondContact ND2-CD2 2.82Å; N917-H949 PolarHBondContact OD1-N 3.49Å
918	M	89.6	Confident	85.9	Confident	46 Å²	46	58.7 Å²	58.7	23%	0.227	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-71.8	137.5	163	-73.4	177.6	66.5	0	0	109	V884 T890 H893 R914 L915	V884-M918 HydrophobicContact CG1-CE 3.78Å; T890-M918 HydrophobicContact CG2-CB 4.32Å; T890-M918 HydrophobicContact CG2-CE 3.67Å; T890-M918 HydrophobicContact CG2-SD 3.9Å; H893-M918 PolarHBondContact CE1-O 2.91Å; H893-M918 PolarHBondContact NE2-O 3Å; H893-M918 VanDerWaalsContact NE2-O 3.16Å; R914-M918 WeakPolarHBondContact O-CG 3.48Å; R914-M918 PolarHBondContact O-N 2.9Å; L915-M918 HydrophobicContact CD1-SD 3.7Å; L915-M918 PolarHBondContact O-N 3.04Å
919	A	90.4	Very high	86.3	Confident	45 Å²	45	56.6 Å²	56.6	37%	0.372	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-99.2	152.5	167.7	0	0	0	0	0	110.3	G924 Q925 T926	A919-G924 WeakPolarHBondContact CB-O 3.47Å; A919-Q925 WeakPolarHBondContact CA-O 3.29Å; A919-T926 HydrophobicContact CB-CG2 4.25Å
920	D	90.6	Very high	86.9	Confident	8 Å²	8	52.9 Å²	52.9	4%	0.043	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-73.8	171.4	165.8	79.2	60.9	0	0	0	112.5	Q889 E922 L923 G924 Q925	Q889-D920 HydrophobicContact CG-CB 3.63Å; D920-E922 PolarHBondContact OD1-N 3.41Å; D920-L923 PolarHBondContact OD1-N 2.98Å; D920-G924 WeakPolarHBondContact O-CA 3.45Å; D920-G924 PolarHBondContact OD1-N 3.47Å; D920-Q925 PolarHBondContact N-O 2.96Å
921	K	86.7	Confident	87.7	Confident	165 Å²	165	50.6 Å²	50.6	72%	0.717	25%	0.245	S	C	*	.	S	Bend	trans	-95.6	-10.8	-175.5	-66.8	177.3	177.4	178.5	0	114.9	N887	N887-K921 WeakPolarHBondContact O-CB 3.45Å; N887-K921 PolarHBondContact O-N 2.93Å
922	E	84.7	Confident	88.6	Confident	113 Å²	113	49.1 Å²	49.1	53%	0.528	23%	0.232	S	C	.	.	S	Bend	trans	-95.1	-47.9	-175	-68.8	-178.1	132.6	0	0	111.1	N887 D920	N887-E922 HydrophobicContact CB-CG 4.05Å; N887-E922 WeakPolarHBondContact CB-OE2 3.4Å; N887-E922 PolarHBondContact ND2-OE1 3.23Å; N887-E922 PolarHBondContact ND2-OE2 2.89Å; D920-E922 PolarHBondContact OD1-N 3.41Å
923	L	87.3	Confident	89.7	Confident	93 Å²	93	48 Å²	48	49%	0.487	22%	0.222	S	C	.	.	S	Bend	trans	-113.8	-4.4	-176.7	-57.8	179.9	0	0	0	112.6	D920 Q925 D954 S955	D920-L923 PolarHBondContact OD1-N 2.98Å; L923-Q925 HydrophobicContact CB-CB 4.34Å; L923-Q925 HydrophobicContact CB-CG 3.84Å; L923-Q925 PolarHBondContact O-N 3.03Å; L923-Q925 VanDerWaalsContact O-N 3.15Å; L923-D954 WeakPolarHBondContact O-CB 3.5Å; L923-S955 WeakPolarHBondContact O-CB 3.24Å; L923-S955 PolarHBondContact O-N 3.49Å; L923-S955 PolarHBondContact O-OG 2.99Å
924	G	89.8	Confident	90.8	Very high	15 Å²	15	41.2 Å²	41.2	16%	0.155	20%	0.199	C	C	.	.			trans	66.3	11.9	-175.5	0	0	0	0	0	113.1	A919 D920 S955	A919-G924 WeakPolarHBondContact CB-O 3.47Å; D920-G924 WeakPolarHBondContact O-CA 3.45Å; D920-G924 PolarHBondContact OD1-N 3.47Å; G924-S955 PolarHBondContact N-OG 3.07Å
925	Q	93	Very high	91.5	Very high	18 Å²	18	36.8 Å²	36.8	8%	0.084	19%	0.189	C	C	.	.			trans	-79.1	135	-173.6	-75.4	-174.1	-9.6	0	0	111	H893 A919 D920 L923 H929 I930 D954	H893-Q925 PolarHBondContact NE2-O 3.38Å; A919-Q925 WeakPolarHBondContact CA-O 3.29Å; D920-Q925 PolarHBondContact N-O 2.96Å; L923-Q925 HydrophobicContact CB-CB 4.34Å; L923-Q925 HydrophobicContact CB-CG 3.84Å; L923-Q925 PolarHBondContact O-N 3.03Å; L923-Q925 VanDerWaalsContact O-N 3.15Å; Q925-H929 HydrophobicContact CB-CB 3.76Å; Q925-H929 HydrophobicContact CG-CB 3.78Å; Q925-I930 HydrophobicContact CB-CG1 4.24Å; Q925-D954 HydrophobicContact CG-CB 3.75Å; Q925-D954 PolarHBondContact NE2-OD2 2.85Å
926	T	95.1	Very high	91.9	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-84.4	168.3	167.8	68.3	0	0	0	0	110.8	A919 L928 H929 I930 T952	A919-T926 HydrophobicContact CB-CG2 4.25Å; T926-L928 PolarHBondContact O-N 3.11Å; T926-L928 PolarHBondContact OG1-N 3.49Å; T926-H929 PolarHBondContact N-ND1 3.25Å; T926-H929 WeakPolarHBondContact O-CB 3.29Å; T926-H929 PolarHBondContact O-N 3.19Å; T926-H929 PolarHBondContact OG1-ND1 2.79Å; T926-I930 PolarHBondContact O-N 3.38Å; T926-I930 VanDerWaalsContact O-N 3.15Å; T926-T952 HydrophobicContact CG2-CG2 3.93Å
927	A	94.1	Very high	92	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-52.2	-30.5	172.8	0	0	0	0	0	113.8	L892 H893 A931 L943	L892-A927 HydrophobicContact CB-CB 4.43Å; L892-A927 HydrophobicContact CD2-CB 3.74Å; L892-A927 HydrophobicContact CG-CB 3.69Å; H893-A927 PolarHBondContact NE2-N 3.5Å; A927-A931 WeakPolarHBondContact O-CB 3.25Å; A927-A931 PolarHBondContact O-N 3.1Å; A927-L943 HydrophobicContact CB-CD1 4.21Å; A927-L943 HydrophobicContact CB-CD2 4.25Å; A927-L943 WeakPolarHBondContact O-CD1 3.44Å
928	L	96.2	Very high	92	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-75.3	-37.4	177	-175.6	61.4	0	0	0	112.6	T926 A931 A932 C940 L943 V944 A948 L950 P960 L976	T926-L928 PolarHBondContact O-N 3.11Å; T926-L928 PolarHBondContact OG1-N 3.49Å; L928-A931 PolarHBondContact O-N 3.45Å; L928-A932 WeakPolarHBondContact O-CB 3.29Å; L928-A932 PolarHBondContact O-N 2.96Å; L928-C940 HydrophobicContact CD1-CB 3.94Å; L928-L943 HydrophobicContact CB-CD1 4.18Å; L928-L943 HydrophobicContact CD1-CB 4.07Å; L928-L943 HydrophobicContact CD1-CD1 4.15Å; L928-V944 HydrophobicContact CD1-CG2 4.1Å; L928-V944 HydrophobicContact CD2-CG2 3.9Å; L928-A948 HydrophobicContact CB-CB 4.27Å; L928-A948 HydrophobicContact CD2-CB 3.94Å; L928-L950 HydrophobicContact CD2-CD2 3.66Å; L928-P960 HydrophobicContact CB-CG 4.39Å; L928-P960 HydrophobicContact CD2-CB 4.09Å; L928-P960 HydrophobicContact CD2-CG 4Å; L928-P960 HydrophobicContact CG-CB 3.82Å; L928-P960 HydrophobicContact CG-CG 4.04Å; L928-L976 HydrophobicContact CD1-CD2 4.33Å; L928-L976 HydrophobicContact CD2-CD2 4.31Å
929	H	95.7	Very high	92.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-47.2	171.7	-70	87.4	0	0	0	110.8	Q925 T926 A931 A932 E933 T952 N958 P960	Q925-H929 HydrophobicContact CB-CB 3.76Å; Q925-H929 HydrophobicContact CG-CB 3.78Å; T926-H929 PolarHBondContact N-ND1 3.25Å; T926-H929 WeakPolarHBondContact O-CB 3.29Å; T926-H929 PolarHBondContact O-N 3.19Å; T926-H929 PolarHBondContact OG1-ND1 2.79Å; H929-A931 PolarHBondContact O-N 3.25Å; H929-A932 PolarHBondContact O-N 3.41Å; H929-E933 WeakPolarHBondContact O-CB 3.44Å; H929-E933 PolarHBondContact O-N 3.41Å; H929-T952 PolarHBondContact CE1-O 3.15Å; H929-T952 PolarHBondContact NE2-O 3.26Å; H929-N958 PolarHBondContact NE2-O 3.17Å; H929-P960 WeakPolarHBondContact NE2-CD 3.47Å
930	I	94.8	Very high	92.3	Very high	9 Å²	9	42.2 Å²	42.2	5%	0.046	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-40.6	177.6	-63.6	-176.3	0	0	0	111.3	H893 C896 K897 Q925 T926 A932 E933 Q934	H893-I930 HydrophobicContact CB-CD1 3.92Å; C896-I930 HydrophobicContact CB-CG2 4.34Å; K897-I930 HydrophobicContact CB-CG2 3.74Å; K897-I930 HydrophobicContact CG-CG2 4.26Å; Q925-I930 HydrophobicContact CB-CG1 4.24Å; T926-I930 PolarHBondContact O-N 3.38Å; T926-I930 VanDerWaalsContact O-N 3.15Å; I930-A932 VanDerWaalsContact C-N 3.34Å; I930-A932 PolarHBondContact O-N 3.18Å; I930-E933 PolarHBondContact O-N 2.89Å; I930-Q934 HydrophobicContact CG2-CG 4.28Å; I930-Q934 VanDerWaalsContact O-CB 3.31Å; I930-Q934 WeakPolarHBondContact O-CB 3.3Å; I930-Q934 VanDerWaalsContact O-CG 3.23Å; I930-Q934 WeakPolarHBondContact O-CG 3.48Å; I930-Q934 PolarHBondContact O-N 3.36Å
931	A	95.7	Very high	92.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-38.3	176.4	0	0	0	0	0	112.4	C896 A927 L928 H929 N935 R936 I939 L943	C896-A931 HydrophobicContact CB-CB 4.29Å; A927-A931 WeakPolarHBondContact O-CB 3.25Å; A927-A931 PolarHBondContact O-N 3.1Å; L928-A931 PolarHBondContact O-N 3.45Å; H929-A931 PolarHBondContact O-N 3.25Å; A931-N935 PolarHBondContact O-N 3.05Å; A931-R936 HydrophobicContact CB-CB 4.41Å; A931-R936 WeakPolarHBondContact O-CB 3.34Å; A931-R936 PolarHBondContact O-N 3.1Å; A931-I939 HydrophobicContact CB-CB 4.3Å; A931-I939 HydrophobicContact CB-CG2 3.64Å; A931-L943 HydrophobicContact CB-CD1 3.88Å
932	A	94.6	Very high	92.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.3	-49.3	174.8	0	0	0	0	0	111.7	L928 H929 I930 Q934 N935 P960 A964 I972 L976	L928-A932 WeakPolarHBondContact O-CB 3.29Å; L928-A932 PolarHBondContact O-N 2.96Å; H929-A932 PolarHBondContact O-N 3.41Å; I930-A932 VanDerWaalsContact C-N 3.34Å; I930-A932 PolarHBondContact O-N 3.18Å; A932-Q934 VanDerWaalsContact C-N 3.28Å; A932-Q934 PolarHBondContact O-N 2.94Å; A932-N935 PolarHBondContact O-N 3.48Å; A932-P960 HydrophobicContact CB-CB 4.43Å; A932-P960 VanDerWaalsContact CB-O 3.3Å; A932-P960 WeakPolarHBondContact CB-O 3.14Å; A932-A964 HydrophobicContact CB-CB 4.11Å; A932-I972 HydrophobicContact CB-CG2 4.42Å; A932-L976 HydrophobicContact CB-CD1 4.42Å
933	E	93.9	Very high	92.6	Very high	52 Å²	52	33.1 Å²	33.1	24%	0.243	16%	0.163	C	C	.	.	H	α-helix	trans	-59	-39.9	-179.2	-160.2	-137.4	-176.1	0	0	112.4	H929 I930 N935 V963 K967	H929-E933 WeakPolarHBondContact O-CB 3.44Å; H929-E933 PolarHBondContact O-N 3.41Å; I930-E933 PolarHBondContact O-N 2.89Å; E933-N935 PolarHBondContact O-N 3.31Å; E933-V963 HydrophobicContact CB-CG1 3.61Å; E933-V963 HydrophobicContact CG-CG1 3.93Å; E933-K967 HydrophobicContact CG-CD 3.97Å; E933-K967 VanDerWaalsContact CG-CE 3.49Å; E933-K967 HydrophobicContact CG-CG 3.99Å; E933-K967 WeakPolarHBondContact OE1-CE 3.42Å; E933-K967 IonicContact OE1-NZ 2.64Å; E933-K967 PolarHBondContact OE1-NZ 2.66Å
934	Q	94	Very high	92.8	Very high	58 Å²	58	29.8 Å²	29.8	27%	0.271	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	12.6	-178.8	-59.1	-66.4	-45.2	0	0	112.8	I930 A932 R936	I930-Q934 HydrophobicContact CG2-CG 4.28Å; I930-Q934 VanDerWaalsContact O-CB 3.31Å; I930-Q934 WeakPolarHBondContact O-CB 3.3Å; I930-Q934 VanDerWaalsContact O-CG 3.23Å; I930-Q934 WeakPolarHBondContact O-CG 3.48Å; I930-Q934 PolarHBondContact O-N 3.36Å; A932-Q934 VanDerWaalsContact C-N 3.28Å; A932-Q934 PolarHBondContact O-N 2.94Å; Q934-R936 VanDerWaalsContact C-N 3.35Å; Q934-R936 HydrophobicContact CB-CG 3.83Å; Q934-R936 WeakPolarHBondContact O-CD 3.26Å; Q934-R936 WeakPolarHBondContact O-CG 3.36Å; Q934-R936 VanDerWaalsContact O-CZ 3.24Å; Q934-R936 PolarHBondContact O-N 3.31Å; Q934-R936 PolarHBondContact O-NE 3.03Å; Q934-R936 VanDerWaalsContact O-NE 3.15Å; Q934-R936 PolarHBondContact O-NH1 3.42Å
935	N	92.8	Very high	92.4	Very high	96 Å²	96	33.2 Å²	33.2	51%	0.513	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	46.5	-179.9	-163.8	4.7	0	0	0	113.7	A931 A932 E933 R937 A969 I972	A931-N935 PolarHBondContact O-N 3.05Å; A932-N935 PolarHBondContact O-N 3.48Å; E933-N935 PolarHBondContact O-N 3.31Å; N935-R937 PolarHBondContact O-N 3.23Å; N935-A969 HydrophobicContact CB-CB 4.25Å; N935-I972 WeakPolarHBondContact OD1-CD1 3.44Å
936	R	92.6	Very high	91.9	Very high	72 Å²	72	33.3 Å²	33.3	27%	0.272	18%	0.177	S	C	.	.			trans	-98.9	63.9	-175.3	-51	-56.2	-173.6	-150.6	0.2	111.4	A931 Q934 D938 I939 C940	A931-R936 HydrophobicContact CB-CB 4.41Å; A931-R936 WeakPolarHBondContact O-CB 3.34Å; A931-R936 PolarHBondContact O-N 3.1Å; Q934-R936 VanDerWaalsContact C-N 3.35Å; Q934-R936 HydrophobicContact CB-CG 3.83Å; Q934-R936 WeakPolarHBondContact O-CD 3.26Å; Q934-R936 WeakPolarHBondContact O-CG 3.36Å; Q934-R936 VanDerWaalsContact O-CZ 3.24Å; Q934-R936 PolarHBondContact O-N 3.31Å; Q934-R936 PolarHBondContact O-NE 3.03Å; Q934-R936 VanDerWaalsContact O-NE 3.15Å; Q934-R936 PolarHBondContact O-NH1 3.42Å; R936-D938 VanDerWaalsContact C-N 3.35Å; R936-D938 PolarHBondContact O-N 2.63Å; R936-D938 VanDerWaalsContact O-N 3.15Å; R936-I939 HydrophobicContact CB-CB 3.87Å; R936-I939 HydrophobicContact CB-CD1 4.11Å; R936-I939 HydrophobicContact CB-CG1 4.26Å; R936-I939 HydrophobicContact CG-CD1 4.47Å; R936-I939 WeakPolarHBondContact O-CA 3.15Å; R936-I939 WeakPolarHBondContact O-CB 3.43Å; R936-I939 PolarHBondContact O-N 3.14Å; R936-C940 PolarHBondContact O-N 2.74Å; R936-C940 PolarHBondContact O-SG 3.3Å; R936-C940 VanDerWaalsContact O-SG 3.4Å
937	R	90.6	Very high	91.3	Very high	121 Å²	121	35.1 Å²	35.1	46%	0.457	20%	0.196	S	C	.	.	H	α-helix	trans	-39.6	-55	-175.7	-171.2	-176.5	-168.3	-91.4	10.4	114.4	N935 I939 C940 V941 E971 I972	N935-R937 PolarHBondContact O-N 3.23Å; R937-I939 VanDerWaalsContact C-N 3.31Å; R937-I939 PolarHBondContact O-N 3.44Å; R937-C940 WeakPolarHBondContact O-CB 3.37Å; R937-C940 PolarHBondContact O-N 2.7Å; R937-V941 WeakPolarHBondContact O-CG2 3.17Å; R937-V941 PolarHBondContact O-N 2.86Å; R937-E971 IonicContact CZ-OE2 2.63Å; R937-E971 VanDerWaalsContact CZ-OE2 3.3Å; R937-E971 IonicContact NE-OE2 2.88Å; R937-E971 PolarHBondContact NE-OE2 3.38Å; R937-E971 IonicContact NH2-OE2 3.52Å; R937-E971 PolarHBondContact NH2-OE2 3.15Å; R937-E971 VanDerWaalsContact NH2-OE2 3.1Å; R937-I972 HydrophobicContact CB-CD1 4.05Å; R937-I972 HydrophobicContact CB-CG1 4.04Å; R937-I972 HydrophobicContact CG-CG1 4.27Å
938	D	89.3	Confident	91.1	Very high	65 Å²	65	35.4 Å²	35.4	35%	0.348	20%	0.198	S	C	.	.	H	α-helix	trans	-70.9	-24.5	-177.1	-52.1	-46.8	0	0	0	113.4	R901 R936 M942	R901-D938 IonicContact CZ-OD2 2.71Å; R901-D938 IonicContact NH1-OD2 3.54Å; R901-D938 PolarHBondContact NH1-OD2 3.1Å; R901-D938 IonicContact NH2-OD2 2.66Å; R901-D938 PolarHBondContact NH2-OD2 3.35Å; R936-D938 VanDerWaalsContact C-N 3.35Å; R936-D938 PolarHBondContact O-N 2.63Å; R936-D938 VanDerWaalsContact O-N 3.15Å; D938-M942 VanDerWaalsContact O-CG 3.28Å; D938-M942 WeakPolarHBondContact O-CG 3.37Å; D938-M942 PolarHBondContact O-N 3.27Å; D938-M942 VanDerWaalsContact O-N 3.07Å
939	I	93.9	Very high	90.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-75	-39.3	171.8	-67.3	179.6	0	0	0	110.1	C896 N899 R901 V904 A931 R936 R937 V941 M942 L943	C896-I939 HydrophobicContact CB-CG2 4.14Å; C896-I939 VanDerWaalsContact SG-CG2 3.59Å; N899-I939 HydrophobicContact CB-CD1 4.49Å; R901-I939 HydrophobicContact CG-CD1 4.01Å; R901-I939 HydrophobicContact CG-CG1 3.94Å; V904-I939 HydrophobicContact CG1-CG2 4.26Å; V904-I939 HydrophobicContact CG2-CD1 4.21Å; V904-I939 HydrophobicContact CG2-CG2 4.26Å; A931-I939 HydrophobicContact CB-CB 4.3Å; A931-I939 HydrophobicContact CB-CG2 3.64Å; R936-I939 HydrophobicContact CB-CB 3.87Å; R936-I939 HydrophobicContact CB-CD1 4.11Å; R936-I939 HydrophobicContact CB-CG1 4.26Å; R936-I939 HydrophobicContact CG-CD1 4.47Å; R936-I939 WeakPolarHBondContact O-CA 3.15Å; R936-I939 WeakPolarHBondContact O-CB 3.43Å; R936-I939 PolarHBondContact O-N 3.14Å; R937-I939 VanDerWaalsContact C-N 3.31Å; R937-I939 PolarHBondContact O-N 3.44Å; I939-V941 PolarHBondContact O-N 2.85Å; I939-M942 HydrophobicContact CB-CE 4.38Å; I939-M942 HydrophobicContact CG1-CE 3.8Å; I939-M942 PolarHBondContact O-N 3.3Å; I939-L943 HydrophobicContact CG2-CD1 3.9Å; I939-L943 HydrophobicContact CG2-CG 4.32Å; I939-L943 WeakPolarHBondContact O-CB 3.41Å; I939-L943 WeakPolarHBondContact O-CG 3.46Å; I939-L943 PolarHBondContact O-N 3.36Å
940	C	92.8	Very high	90.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.5	-48.4	172.2	-58.1	0	0	0	0	110.6	L928 R936 R937 M942 L943 V944 I972	L928-C940 HydrophobicContact CD1-CB 3.94Å; R936-C940 PolarHBondContact O-N 2.74Å; R936-C940 PolarHBondContact O-SG 3.3Å; R936-C940 VanDerWaalsContact O-SG 3.4Å; R937-C940 WeakPolarHBondContact O-CB 3.37Å; R937-C940 PolarHBondContact O-N 2.7Å; C940-M942 VanDerWaalsContact C-N 3.35Å; C940-M942 PolarHBondContact O-N 3.4Å; C940-L943 PolarHBondContact O-N 2.87Å; C940-V944 WeakPolarHBondContact O-CG2 3.27Å; C940-V944 PolarHBondContact O-N 3.15Å; C940-I972 HydrophobicContact CB-CG2 4.25Å
941	V	89.3	Confident	90.3	Very high	53 Å²	53	42.7 Å²	42.7	32%	0.321	23%	0.234	S	C	.	.	H	α-helix	trans	-58.3	-43.8	175.5	175	0	0	0	0	111.8	R937 I939 A945 Y975	R937-V941 WeakPolarHBondContact O-CG2 3.17Å; R937-V941 PolarHBondContact O-N 2.86Å; I939-V941 PolarHBondContact O-N 2.85Å; V941-A945 WeakPolarHBondContact O-CB 3.44Å; V941-A945 PolarHBondContact O-N 3.2Å; V941-Y975 HydrophobicContact CB-CE1 4.48Å; V941-Y975 HydrophobicContact CG2-CD1 4.29Å; V941-Y975 HydrophobicContact CG2-CE1 3.8Å; V941-Y975 HydrophobicContact CG2-CE2 4.31Å
942	M	89.1	Confident	90	Very high	42 Å²	42	44.7 Å²	44.7	21%	0.207	25%	0.246	C	C	.	.	H	α-helix	trans	-64.5	-40.1	176.9	-74.6	-175	-59.3	0	0	113.1	R901 V904 K905 I908 D938 I939 C940 A946	R901-M942 HydrophobicContact CB-CE 4.26Å; R901-M942 HydrophobicContact CG-CE 4.33Å; V904-M942 HydrophobicContact CB-CE 4.36Å; V904-M942 HydrophobicContact CG1-CE 4.05Å; K905-M942 HydrophobicContact CD-SD 4.2Å; K905-M942 HydrophobicContact CG-CE 4.47Å; K905-M942 HydrophobicContact CG-SD 3.47Å; K905-M942 WeakPolarHBondContact CG-SD 3.34Å; I908-M942 HydrophobicContact CD1-CB 4.1Å; D938-M942 VanDerWaalsContact O-CG 3.28Å; D938-M942 WeakPolarHBondContact O-CG 3.37Å; D938-M942 PolarHBondContact O-N 3.27Å; D938-M942 VanDerWaalsContact O-N 3.07Å; I939-M942 HydrophobicContact CB-CE 4.38Å; I939-M942 HydrophobicContact CG1-CE 3.8Å; I939-M942 PolarHBondContact O-N 3.3Å; C940-M942 VanDerWaalsContact C-N 3.35Å; C940-M942 PolarHBondContact O-N 3.4Å; M942-A946 WeakPolarHBondContact O-CB 3.47Å; M942-A946 PolarHBondContact O-N 3.1Å; M942-A946 VanDerWaalsContact O-N 3.12Å
943	L	90.5	Very high	89.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-70	-44.2	179.2	-73.3	169.8	0	0	0	112.2	L892 I908 I916 A927 L928 A931 I939 C940 A946 G947 A948	L892-L943 HydrophobicContact CD1-CD2 4.32Å; L892-L943 HydrophobicContact CD2-CD2 4.01Å; L892-L943 HydrophobicContact CG-CD2 4.4Å; I908-L943 HydrophobicContact CD1-CD2 4.15Å; I916-L943 HydrophobicContact CG2-CD2 4.38Å; A927-L943 HydrophobicContact CB-CD1 4.21Å; A927-L943 HydrophobicContact CB-CD2 4.25Å; A927-L943 WeakPolarHBondContact O-CD1 3.44Å; L928-L943 HydrophobicContact CB-CD1 4.18Å; L928-L943 HydrophobicContact CD1-CB 4.07Å; L928-L943 HydrophobicContact CD1-CD1 4.15Å; A931-L943 HydrophobicContact CB-CD1 3.88Å; I939-L943 HydrophobicContact CG2-CD1 3.9Å; I939-L943 HydrophobicContact CG2-CG 4.32Å; I939-L943 WeakPolarHBondContact O-CB 3.41Å; I939-L943 WeakPolarHBondContact O-CG 3.46Å; I939-L943 PolarHBondContact O-N 3.36Å; C940-L943 PolarHBondContact O-N 2.87Å; L943-A946 WeakPolarHBondContact O-CA 3.29Å; L943-A946 WeakPolarHBondContact O-CB 3.36Å; L943-A946 PolarHBondContact O-N 3.32Å; L943-A946 VanDerWaalsContact O-N 3.07Å; L943-G947 PolarHBondContact O-N 3.18Å; L943-A948 HydrophobicContact CB-CB 4.06Å; L943-A948 VanDerWaalsContact O-CB 3.24Å; L943-A948 WeakPolarHBondContact O-CB 3.43Å; L943-A948 PolarHBondContact O-N 3.27Å
944	V	91.1	Very high	89.9	Confident	22 Å²	22	48 Å²	48	13%	0.133	27%	0.265	C	S	.	.	H	α-helix	trans	-64.1	-44	176.4	177.3	0	0	0	0	110.5	L928 C940 A946 G947 L950 Y975 L976 Q979	L928-V944 HydrophobicContact CD1-CG2 4.1Å; L928-V944 HydrophobicContact CD2-CG2 3.9Å; C940-V944 WeakPolarHBondContact O-CG2 3.27Å; C940-V944 PolarHBondContact O-N 3.15Å; V944-A946 PolarHBondContact O-N 3.39Å; V944-A946 VanDerWaalsContact O-N 3.14Å; V944-G947 PolarHBondContact O-N 3Å; V944-L950 HydrophobicContact CG1-CD2 4.37Å; V944-L950 HydrophobicContact CG2-CD2 3.69Å; V944-Y975 HydrophobicContact CB-CE1 4.42Å; V944-Y975 HydrophobicContact CG2-CE1 4.21Å; V944-L976 HydrophobicContact CG2-CD2 3.75Å; V944-Q979 HydrophobicContact CG1-CB 4.32Å; V944-Q979 HydrophobicContact CG1-CG 4.16Å
945	A	81.9	Confident	89.7	Confident	87 Å²	87	49.6 Å²	49.6	72%	0.719	28%	0.283	S	S	*	.	H	α-helix	trans	-62.4	-19.3	173.3	0	0	0	0	0	114	V941	V941-A945 WeakPolarHBondContact O-CB 3.44Å; V941-A945 PolarHBondContact O-N 3.2Å
946	A	81.1	Confident	89.5	Confident	20 Å²	20	47.9 Å²	47.9	17%	0.165	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-5.7	174.1	0	0	0	0	0	113.9	I908 I916 M942 L943 V944	I908-A946 HydrophobicContact CB-CB 4.45Å; I908-A946 HydrophobicContact CD1-CB 4.07Å; I908-A946 HydrophobicContact CG1-CB 4.08Å; I908-A946 HydrophobicContact CG2-CB 3.58Å; I916-A946 HydrophobicContact CD1-CB 3.76Å; M942-A946 WeakPolarHBondContact O-CB 3.47Å; M942-A946 PolarHBondContact O-N 3.1Å; M942-A946 VanDerWaalsContact O-N 3.12Å; L943-A946 WeakPolarHBondContact O-CA 3.29Å; L943-A946 WeakPolarHBondContact O-CB 3.36Å; L943-A946 PolarHBondContact O-N 3.32Å; L943-A946 VanDerWaalsContact O-N 3.07Å; V944-A946 PolarHBondContact O-N 3.39Å; V944-A946 VanDerWaalsContact O-N 3.14Å
947	G	84.1	Confident	89.4	Confident	40 Å²	40	46.4 Å²	46.4	41%	0.412	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	37.6	-177.1	0	0	0	0	0	114.1	N917 L943 V944	N917-G947 PolarHBondContact ND2-O 2.97Å; L943-G947 PolarHBondContact O-N 3.18Å; V944-G947 PolarHBondContact O-N 3Å
948	A	90.1	Very high	89.5	Confident	6 Å²	6	42.5 Å²	42.5	5%	0.05	28%	0.284	C	S	.	.			trans	-67.4	138.9	166.4	0	0	0	0	0	111.4	I916 N917 L928 L943	I916-A948 HydrophobicContact CG2-CB 3.77Å; N917-A948 VanDerWaalsContact OD1-CA 3.26Å; N917-A948 WeakPolarHBondContact OD1-CA 3.27Å; L928-A948 HydrophobicContact CB-CB 4.27Å; L928-A948 HydrophobicContact CD2-CB 3.94Å; L943-A948 HydrophobicContact CB-CB 4.06Å; L943-A948 VanDerWaalsContact O-CB 3.24Å; L943-A948 WeakPolarHBondContact O-CB 3.43Å; L943-A948 PolarHBondContact O-N 3.27Å
949	H	88.7	Confident	89.8	Confident	89 Å²	89	40 Å²	40	41%	0.412	27%	0.27	S	S	.	.			trans	-70.2	131.7	174.1	-80.3	-75.9	0	0	0	111.1	N917 D951 T952	N917-H949 VanDerWaalsContact CG-CD2 3.43Å; N917-H949 PolarHBondContact ND2-CD2 2.82Å; N917-H949 PolarHBondContact OD1-N 3.49Å; H949-D951 IonicContact CG-OD1 3.35Å; H949-D951 IonicContact ND1-OD1 3.76Å; H949-D951 PolarHBondContact ND1-OD1 3.34Å; H949-D951 VanDerWaalsContact ND1-OD1 3.08Å; H949-T952 WeakPolarHBondContact CB-OG1 3.37Å
950	L	90.9	Very high	89.8	Confident	3 Å²	3	40 Å²	40	2%	0.016	27%	0.27	C	S	.	.	S	Bend	trans	-91.4	-28.4	173.6	-50.2	179.9	0	0	0	111	L928 V944 T952 P960 L976 Q979 E980 M983	L928-L950 HydrophobicContact CD2-CD2 3.66Å; V944-L950 HydrophobicContact CG1-CD2 4.37Å; V944-L950 HydrophobicContact CG2-CD2 3.69Å; L950-T952 VanDerWaalsContact C-N 3.33Å; L950-T952 PolarHBondContact O-N 3.46Å; L950-P960 VanDerWaalsContact O-CD 3.32Å; L950-P960 WeakPolarHBondContact O-CD 3.23Å; L950-L976 HydrophobicContact CD2-CD2 3.98Å; L950-Q979 VanDerWaalsContact CD1-C 3.45Å; L950-Q979 HydrophobicContact CD1-CB 3.55Å; L950-E980 HydrophobicContact CB-CG 3.55Å; L950-E980 HydrophobicContact CD1-CB 4.4Å; L950-E980 HydrophobicContact CD1-CG 3.75Å; L950-E980 HydrophobicContact CG-CG 4.26Å; L950-M983 HydrophobicContact CB-CE 4.11Å; L950-M983 HydrophobicContact CD1-CE 3.93Å; L950-M983 HydrophobicContact CG-CE 3.86Å
951	D	89.7	Confident	89.9	Confident	71 Å²	71	41.7 Å²	41.7	38%	0.38	28%	0.279	S	S	.	.	S	Bend	trans	-88.2	10	-175.5	48.2	-6.4	0	0	0	114.3	H949 K987	H949-D951 IonicContact CG-OD1 3.35Å; H949-D951 IonicContact ND1-OD1 3.76Å; H949-D951 PolarHBondContact ND1-OD1 3.34Å; H949-D951 VanDerWaalsContact ND1-OD1 3.08Å; D951-K987 IonicContact OD2-NZ 2.86Å; D951-K987 PolarHBondContact OD2-NZ 3.33Å
952	T	89.3	Confident	90.1	Very high	42 Å²	42	43.1 Å²	43.1	26%	0.258	28%	0.283	S	S	.	.			trans	-82.9	137.3	172.5	-57.1	0	0	0	0	110.3	T926 H929 H949 L950	T926-T952 HydrophobicContact CG2-CG2 3.93Å; H929-T952 PolarHBondContact CE1-O 3.15Å; H929-T952 PolarHBondContact NE2-O 3.26Å; H949-T952 WeakPolarHBondContact CB-OG1 3.37Å; L950-T952 VanDerWaalsContact C-N 3.33Å; L950-T952 PolarHBondContact O-N 3.46Å
953	L	92.1	Very high	90.3	Very high	102 Å²	102	41.5 Å²	41.5	53%	0.534	28%	0.275	S	S	.	.			trans	-100.7	141.6	175.3	-55.5	179.3	0	0	0	111.1	N958 T959	L953-N958 CarbonylContact C-O 3.56Å; L953-N958 WeakPolarHBondContact CA-O 3.19Å; L953-T959 HydrophobicContact CD2-CG2 3.64Å
954	D	93.4	Very high	90.5	Very high	18 Å²	18	41.5 Å²	41.5	10%	0.096	28%	0.275	C	S	.	.			trans	-79.7	174.4	167.2	81.1	0.9	0	0	0	112.5	L923 Q925 G956 G957 N958	L923-D954 WeakPolarHBondContact O-CB 3.5Å; Q925-D954 HydrophobicContact CG-CB 3.75Å; Q925-D954 PolarHBondContact NE2-OD2 2.85Å; D954-G956 PolarHBondContact O-N 3.37Å; D954-G956 VanDerWaalsContact OD1-CA 3.31Å; D954-G956 WeakPolarHBondContact OD1-CA 3.3Å; D954-G956 PolarHBondContact OD1-N 2.89Å; D954-G957 PolarHBondContact O-N 3.03Å; D954-G957 PolarHBondContact OD1-N 3.3Å; D954-N958 PolarHBondContact N-O 2.94Å; D954-N958 WeakPolarHBondContact OD1-CB 3.44Å; D954-N958 PolarHBondContact OD1-N 2.93Å; D954-N958 PolarHBondContact OD1-ND2 3.05Å
955	S	91.2	Very high	90.5	Very high	92 Å²	92	46.7 Å²	46.7	64%	0.643	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-13.4	179.3	-65.3	0	0	0	0	113.9	L923 G924	L923-S955 WeakPolarHBondContact O-CB 3.24Å; L923-S955 PolarHBondContact O-N 3.49Å; L923-S955 PolarHBondContact O-OG 2.99Å; G924-S955 PolarHBondContact N-OG 3.07Å
956	G	88.3	Confident	90.9	Very high	60 Å²	60	47.2 Å²	47.2	62%	0.619	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	1.5	171.4	0	0	0	0	0	113.9	D954 N958	D954-G956 PolarHBondContact O-N 3.37Å; D954-G956 VanDerWaalsContact OD1-CA 3.31Å; D954-G956 WeakPolarHBondContact OD1-CA 3.3Å; D954-G956 PolarHBondContact OD1-N 2.89Å; G956-N958 PolarHBondContact O-ND2 3.06Å
957	G	91	Very high	91.3	Very high	42 Å²	42	51.3 Å²	51.3	43%	0.433	30%	0.301	S	S	.	.	S	Bend	trans	80	14.9	-177.5	0	0	0	0	0	114.7	D954	D954-G957 PolarHBondContact O-N 3.03Å; D954-G957 PolarHBondContact OD1-N 3.3Å
958	N	92.8	Very high	91.6	Very high	39 Å²	39	55.8 Å²	55.8	21%	0.209	32%	0.316	C	S	.	.			trans	-95.5	140.2	-176.1	-53	-92.5	0	0	0	111.1	H929 L953 D954 G956 M962 V963 N966	H929-N958 PolarHBondContact NE2-O 3.17Å; L953-N958 CarbonylContact C-O 3.56Å; L953-N958 WeakPolarHBondContact CA-O 3.19Å; D954-N958 PolarHBondContact N-O 2.94Å; D954-N958 WeakPolarHBondContact OD1-CB 3.44Å; D954-N958 PolarHBondContact OD1-N 2.93Å; D954-N958 PolarHBondContact OD1-ND2 3.05Å; G956-N958 PolarHBondContact O-ND2 3.06Å; N958-M962 HydrophobicContact CB-CB 3.96Å; N958-V963 HydrophobicContact CB-CG2 3.61Å; N958-N966 PolarHBondContact OD1-ND2 2.92Å; N958-N966 VanDerWaalsContact OD1-ND2 3.11Å
959	T	94.2	Very high	91.6	Very high	12 Å²	12	55.6 Å²	55.6	7%	0.074	31%	0.314	C	S	.	.			trans	-76.3	167.2	160.8	72	0	0	0	0	110.6	L953 M961 M962 V963	L953-T959 HydrophobicContact CD2-CG2 3.64Å; T959-M961 PolarHBondContact O-N 3.13Å; T959-M961 PolarHBondContact OG1-N 3.36Å; T959-M962 HydrophobicContact CG2-CE 4.18Å; T959-M962 HydrophobicContact CG2-SD 4.22Å; T959-M962 PolarHBondContact O-N 3.17Å; T959-M962 VanDerWaalsContact O-N 3.1Å; T959-M962 WeakPolarHBondContact OG1-CG 3.39Å; T959-M962 PolarHBondContact OG1-N 2.95Å; T959-V963 WeakPolarHBondContact O-CG2 3.23Å; T959-V963 PolarHBondContact O-N 3.09Å
960	P	94.4	Very high	91.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-58.5	-28.9	172.2	-21.3	32.3	0	0	0	113.3	L928 H929 A932 L950 A964 L976	L928-P960 HydrophobicContact CB-CG 4.39Å; L928-P960 HydrophobicContact CD2-CB 4.09Å; L928-P960 HydrophobicContact CD2-CG 4Å; L928-P960 HydrophobicContact CG-CB 3.82Å; L928-P960 HydrophobicContact CG-CG 4.04Å; H929-P960 WeakPolarHBondContact NE2-CD 3.47Å; A932-P960 HydrophobicContact CB-CB 4.43Å; A932-P960 VanDerWaalsContact CB-O 3.3Å; A932-P960 WeakPolarHBondContact CB-O 3.14Å; L950-P960 VanDerWaalsContact O-CD 3.32Å; L950-P960 WeakPolarHBondContact O-CD 3.23Å; P960-A964 PolarHBondContact O-N 2.71Å; P960-L976 HydrophobicContact CB-CD1 4.06Å
961	M	95	Very high	91.2	Very high	36 Å²	36	61.4 Å²	61.4	18%	0.177	34%	0.344	C	S	.	.	H	α-helix	trans	-70.1	-43.3	174.7	-173.4	-94	-77	0	0	111.7	T959 A964 F965 A973 L976 E977 E980	T959-M961 PolarHBondContact O-N 3.13Å; T959-M961 PolarHBondContact OG1-N 3.36Å; M961-A964 WeakPolarHBondContact O-CB 3.31Å; M961-A964 PolarHBondContact O-N 3.46Å; M961-F965 PolarHBondContact O-N 3.27Å; M961-A973 WeakPolarHBondContact CG-O 3.34Å; M961-L976 HydrophobicContact CB-CB 3.76Å; M961-L976 HydrophobicContact CB-CD1 4.35Å; M961-L976 HydrophobicContact CG-CB 3.94Å; M961-E977 HydrophobicContact CE-CB 4.15Å; M961-E977 HydrophobicContact CE-CG 4.2Å; M961-E977 HydrophobicContact CG-CB 4.17Å; M961-E977 HydrophobicContact SD-CB 4.39Å; M961-E980 WeakPolarHBondContact CB-OE1 3.5Å; M961-E980 VanDerWaalsContact CE-OE2 3.23Å; M961-E980 WeakPolarHBondContact CE-OE2 3.46Å
962	M	92.8	Very high	91.3	Very high	83 Å²	83	58 Å²	58	41%	0.409	33%	0.326	S	S	.	.	H	α-helix	trans	-63.7	-40.1	172.7	-63.9	171.5	-174.7	0	0	111.7	N958 T959 F965 N966	N958-M962 HydrophobicContact CB-CB 3.96Å; T959-M962 HydrophobicContact CG2-CE 4.18Å; T959-M962 HydrophobicContact CG2-SD 4.22Å; T959-M962 PolarHBondContact O-N 3.17Å; T959-M962 VanDerWaalsContact O-N 3.1Å; T959-M962 WeakPolarHBondContact OG1-CG 3.39Å; T959-M962 PolarHBondContact OG1-N 2.95Å; M962-F965 PolarHBondContact O-N 3.18Å; M962-N966 VanDerWaalsContact O-CB 3.31Å; M962-N966 WeakPolarHBondContact O-CB 3.38Å; M962-N966 PolarHBondContact O-N 3.27Å; M962-N966 PolarHBondContact O-ND2 3.35Å
963	V	94	Very high	91.3	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.042	32%	0.316	C	S	.	.	H	α-helix	trans	-63.2	-40.7	174.2	173.3	0	0	0	0	111.7	E933 N958 T959 K967	E933-V963 HydrophobicContact CB-CG1 3.61Å; E933-V963 HydrophobicContact CG-CG1 3.93Å; N958-V963 HydrophobicContact CB-CG2 3.61Å; T959-V963 WeakPolarHBondContact O-CG2 3.23Å; T959-V963 PolarHBondContact O-N 3.09Å; V963-K967 WeakPolarHBondContact O-CB 3.44Å; V963-K967 WeakPolarHBondContact O-CG 3.39Å; V963-K967 PolarHBondContact O-N 3.1Å
964	A	93.6	Very high	91	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-47.1	172.8	0	0	0	0	0	111.6	A932 P960 M961 K967 N968 A969 I972 A973	A932-A964 HydrophobicContact CB-CB 4.11Å; P960-A964 PolarHBondContact O-N 2.71Å; M961-A964 WeakPolarHBondContact O-CB 3.31Å; M961-A964 PolarHBondContact O-N 3.46Å; A964-K967 CarbonylContact O-C 3.52Å; A964-K967 PolarHBondContact O-N 3.39Å; A964-N968 PolarHBondContact O-N 3.21Å; A964-A969 HydrophobicContact CB-CB 4.21Å; A964-A969 WeakPolarHBondContact O-CB 3.31Å; A964-A969 PolarHBondContact O-N 3.49Å; A964-I972 HydrophobicContact CB-CB 4.02Å; A964-I972 HydrophobicContact CB-CG2 3.87Å; A964-A973 HydrophobicContact CB-CB 4.09Å
965	F	91.4	Very high	90.8	Very high	131 Å²	131	57.5 Å²	57.5	58%	0.575	32%	0.323	S	S	*	.	H	α-helix	trans	-61.7	-49	179.9	-173.9	-95.3	0	0	0	112.1	M961 M962 K967 N968 A973	M961-F965 PolarHBondContact O-N 3.27Å; M962-F965 PolarHBondContact O-N 3.18Å; F965-K967 PolarHBondContact O-N 2.71Å; F965-N968 PolarHBondContact O-N 2.88Å; F965-A973 HydrophobicContact CB-CB 4.11Å; F965-A973 HydrophobicContact CD2-CB 4.48Å
966	N	90.6	Very high	90.7	Very high	98 Å²	98	53.1 Å²	53.1	52%	0.524	29%	0.292	S	S	.	.	H	α-helix	trans	-63.8	-12.4	178.6	-68.7	-17.4	0	0	0	113.8	N958 M962	N958-N966 PolarHBondContact OD1-ND2 2.92Å; N958-N966 VanDerWaalsContact OD1-ND2 3.11Å; M962-N966 VanDerWaalsContact O-CB 3.31Å; M962-N966 WeakPolarHBondContact O-CB 3.38Å; M962-N966 PolarHBondContact O-N 3.27Å; M962-N966 PolarHBondContact O-ND2 3.35Å
967	K	90.8	Very high	90.6	Very high	106 Å²	106	53.5 Å²	53.5	46%	0.461	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	12.4	174.9	-59.8	-77.3	173.2	153	0	112.6	E933 V963 A964 F965 A969	E933-K967 HydrophobicContact CG-CD 3.97Å; E933-K967 VanDerWaalsContact CG-CE 3.49Å; E933-K967 HydrophobicContact CG-CG 3.99Å; E933-K967 WeakPolarHBondContact OE1-CE 3.42Å; E933-K967 IonicContact OE1-NZ 2.64Å; E933-K967 PolarHBondContact OE1-NZ 2.66Å; V963-K967 WeakPolarHBondContact O-CB 3.44Å; V963-K967 WeakPolarHBondContact O-CG 3.39Å; V963-K967 PolarHBondContact O-N 3.1Å; A964-K967 CarbonylContact O-C 3.52Å; A964-K967 PolarHBondContact O-N 3.39Å; F965-K967 PolarHBondContact O-N 2.71Å; K967-A969 PolarHBondContact O-N 3.37Å
968	N	89.7	Confident	90.2	Very high	134 Å²	134	54.1 Å²	54.1	72%	0.717	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	22.3	-175.6	-57.9	-63.9	0	0	0	114.6	A964 F965 N970	A964-N968 PolarHBondContact O-N 3.21Å; F965-N968 PolarHBondContact O-N 2.88Å; N968-N970 PolarHBondContact O-N 2.93Å; N968-N970 PolarHBondContact O-OD1 3Å
969	A	90.8	Very high	89.9	Confident	2 Å²	2	55.1 Å²	55.1	2%	0.017	28%	0.279	C	S	.	.			trans	-82.1	57.1	177.4	0	0	0	0	0	110.9	N935 A964 K967 E971 I972 A973	N935-A969 HydrophobicContact CB-CB 4.25Å; A964-A969 HydrophobicContact CB-CB 4.21Å; A964-A969 WeakPolarHBondContact O-CB 3.31Å; A964-A969 PolarHBondContact O-N 3.49Å; K967-A969 PolarHBondContact O-N 3.37Å; A969-E971 VanDerWaalsContact C-N 3.3Å; A969-E971 PolarHBondContact O-N 3.04Å; A969-E971 VanDerWaalsContact O-N 3.15Å; A969-I972 HydrophobicContact CB-CB 4.31Å; A969-I972 HydrophobicContact CB-CD1 4.34Å; A969-I972 HydrophobicContact CB-CG1 4.48Å; A969-I972 WeakPolarHBondContact O-CA 3.42Å; A969-I972 WeakPolarHBondContact O-CB 3.3Å; A969-I972 PolarHBondContact O-N 3.05Å; A969-A973 PolarHBondContact O-N 2.95Å
970	N	85.7	Confident	89.2	Confident	92 Å²	92	56.2 Å²	56.2	49%	0.492	28%	0.283	S	S	.	.	H	α-helix	trans	-54.9	-38.9	-166.7	-64.1	-5.3	0	0	0	113.7	N968 I972 A973 T974	N968-N970 PolarHBondContact O-N 2.93Å; N968-N970 PolarHBondContact O-OD1 3Å; N970-I972 VanDerWaalsContact C-N 3.29Å; N970-I972 PolarHBondContact O-N 3.32Å; N970-A973 PolarHBondContact O-N 3.28Å; N970-T974 PolarHBondContact O-N 3.23Å; N970-T974 PolarHBondContact O-OG1 2.87Å; N970-T974 VanDerWaalsContact O-OG1 3.05Å
971	E	83.9	Confident	88.2	Confident	122 Å²	122	63.7 Å²	63.7	57%	0.57	31%	0.311	S	S	*	.	H	α-helix	trans	-61.1	-36.2	174.7	-73.7	-165.4	-142.4	0	0	113.5	R937 A969 Y975	R937-E971 IonicContact CZ-OE2 2.63Å; R937-E971 VanDerWaalsContact CZ-OE2 3.3Å; R937-E971 IonicContact NE-OE2 2.88Å; R937-E971 PolarHBondContact NE-OE2 3.38Å; R937-E971 IonicContact NH2-OE2 3.52Å; R937-E971 PolarHBondContact NH2-OE2 3.15Å; R937-E971 VanDerWaalsContact NH2-OE2 3.1Å; A969-E971 VanDerWaalsContact C-N 3.3Å; A969-E971 PolarHBondContact O-N 3.04Å; A969-E971 VanDerWaalsContact O-N 3.15Å; E971-Y975 VanDerWaalsContact O-CB 3.27Å; E971-Y975 WeakPolarHBondContact O-CB 3.46Å; E971-Y975 PolarHBondContact O-N 3.36Å
972	I	91.9	Very high	87.1	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-76.9	-39.8	178.4	-58	-177.7	0	0	0	109.7	A932 N935 R937 C940 A964 A969 N970 Y975 L976	A932-I972 HydrophobicContact CB-CG2 4.42Å; N935-I972 WeakPolarHBondContact OD1-CD1 3.44Å; R937-I972 HydrophobicContact CB-CD1 4.05Å; R937-I972 HydrophobicContact CB-CG1 4.04Å; R937-I972 HydrophobicContact CG-CG1 4.27Å; C940-I972 HydrophobicContact CB-CG2 4.25Å; A964-I972 HydrophobicContact CB-CB 4.02Å; A964-I972 HydrophobicContact CB-CG2 3.87Å; A969-I972 HydrophobicContact CB-CB 4.31Å; A969-I972 HydrophobicContact CB-CD1 4.34Å; A969-I972 HydrophobicContact CB-CG1 4.48Å; A969-I972 WeakPolarHBondContact O-CA 3.42Å; A969-I972 WeakPolarHBondContact O-CB 3.3Å; A969-I972 PolarHBondContact O-N 3.05Å; N970-I972 VanDerWaalsContact C-N 3.29Å; N970-I972 PolarHBondContact O-N 3.32Å; I972-Y975 PolarHBondContact O-N 2.86Å; I972-L976 HydrophobicContact CG2-CD1 3.74Å; I972-L976 HydrophobicContact CG2-CG 4.09Å; I972-L976 WeakPolarHBondContact O-CB 3.44Å; I972-L976 VanDerWaalsContact O-CG 3.27Å; I972-L976 WeakPolarHBondContact O-CG 3.21Å; I972-L976 PolarHBondContact O-N 3.05Å
973	A	88.9	Confident	85.7	Confident	6 Å²	6	66 Å²	66	5%	0.05	32%	0.32	C	S	.	.	H	α-helix	trans	-58.6	-52.4	174.5	0	0	0	0	0	111.2	M961 A964 F965 A969 N970 Y975 L976 E977	M961-A973 WeakPolarHBondContact CG-O 3.34Å; A964-A973 HydrophobicContact CB-CB 4.09Å; F965-A973 HydrophobicContact CB-CB 4.11Å; F965-A973 HydrophobicContact CD2-CB 4.48Å; A969-A973 PolarHBondContact O-N 2.95Å; N970-A973 PolarHBondContact O-N 3.28Å; A973-Y975 VanDerWaalsContact C-N 3.32Å; A973-Y975 PolarHBondContact O-N 3.28Å; A973-L976 PolarHBondContact O-N 3.38Å; A973-E977 WeakPolarHBondContact O-CB 3.39Å; A973-E977 PolarHBondContact O-N 3.24Å
974	T	86.6	Confident	84.2	Confident	91 Å²	91	70.6 Å²	70.6	56%	0.558	34%	0.341	S	S	*	.	H	α-helix	trans	-61.6	-37.4	176.4	-54.1	0	0	0	0	112.5	N970 S978	N970-T974 PolarHBondContact O-N 3.23Å; N970-T974 PolarHBondContact O-OG1 2.87Å; N970-T974 VanDerWaalsContact O-OG1 3.05Å; T974-S978 PolarHBondContact O-N 3.31Å; T974-S978 VanDerWaalsContact O-N 3.1Å
975	Y	89.3	Confident	82.3	Confident	54 Å²	54	75.7 Å²	75.7	21%	0.212	37%	0.367	C	S	.	.	H	α-helix	trans	-62.2	-54.2	173.6	170.5	-112.5	0	0	0	111.2	V941 V944 E971 I972 A973 E977 S978 Q979	V941-Y975 HydrophobicContact CB-CE1 4.48Å; V941-Y975 HydrophobicContact CG2-CD1 4.29Å; V941-Y975 HydrophobicContact CG2-CE1 3.8Å; V941-Y975 HydrophobicContact CG2-CE2 4.31Å; V944-Y975 HydrophobicContact CB-CE1 4.42Å; V944-Y975 HydrophobicContact CG2-CE1 4.21Å; E971-Y975 VanDerWaalsContact O-CB 3.27Å; E971-Y975 WeakPolarHBondContact O-CB 3.46Å; E971-Y975 PolarHBondContact O-N 3.36Å; I972-Y975 PolarHBondContact O-N 2.86Å; A973-Y975 VanDerWaalsContact C-N 3.32Å; A973-Y975 PolarHBondContact O-N 3.28Å; Y975-E977 PolarHBondContact O-N 3.32Å; Y975-S978 WeakPolarHBondContact O-CB 3.48Å; Y975-S978 PolarHBondContact O-N 3.04Å; Y975-S978 VanDerWaalsContact O-N 3.14Å; Y975-S978 PolarHBondContact O-OG 3.11Å; Y975-Q979 HydrophobicContact CD2-CG 4.25Å; Y975-Q979 HydrophobicContact CE1-CG 4.39Å; Y975-Q979 HydrophobicContact CE2-CG 3.73Å; Y975-Q979 WeakPolarHBondContact O-CG 3.31Å; Y975-Q979 PolarHBondContact O-N 2.85Å
976	L	89.3	Confident	80.2	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-63.5	-40.8	-177.6	-65.5	174.5	0	0	0	111.6	L928 A932 V944 L950 P960 M961 I972 A973 S978 Q979 E980	L928-L976 HydrophobicContact CD1-CD2 4.33Å; L928-L976 HydrophobicContact CD2-CD2 4.31Å; A932-L976 HydrophobicContact CB-CD1 4.42Å; V944-L976 HydrophobicContact CG2-CD2 3.75Å; L950-L976 HydrophobicContact CD2-CD2 3.98Å; P960-L976 HydrophobicContact CB-CD1 4.06Å; M961-L976 HydrophobicContact CB-CB 3.76Å; M961-L976 HydrophobicContact CB-CD1 4.35Å; M961-L976 HydrophobicContact CG-CB 3.94Å; I972-L976 HydrophobicContact CG2-CD1 3.74Å; I972-L976 HydrophobicContact CG2-CG 4.09Å; I972-L976 WeakPolarHBondContact O-CB 3.44Å; I972-L976 VanDerWaalsContact O-CG 3.27Å; I972-L976 WeakPolarHBondContact O-CG 3.21Å; I972-L976 PolarHBondContact O-N 3.05Å; A973-L976 PolarHBondContact O-N 3.38Å; L976-S978 VanDerWaalsContact C-N 3.3Å; L976-S978 PolarHBondContact O-N 3.34Å; L976-Q979 CarbonylContact O-C 3.58Å; L976-Q979 PolarHBondContact O-N 2.63Å; L976-E980 WeakPolarHBondContact O-CG 3.19Å; L976-E980 PolarHBondContact O-N 2.77Å
977	E	86.1	Confident	78.2	Confident	68 Å²	68	73.9 Å²	73.9	32%	0.318	36%	0.356	S	S	.	.	H	α-helix	trans	-57.7	-42.3	173.6	-172.3	-170.6	-153.5	0	0	111.7	M961 A973 Y975 Q979 E980 R981	M961-E977 HydrophobicContact CE-CB 4.15Å; M961-E977 HydrophobicContact CE-CG 4.2Å; M961-E977 HydrophobicContact CG-CB 4.17Å; M961-E977 HydrophobicContact SD-CB 4.39Å; A973-E977 WeakPolarHBondContact O-CB 3.39Å; A973-E977 PolarHBondContact O-N 3.24Å; Y975-E977 PolarHBondContact O-N 3.32Å; E977-Q979 PolarHBondContact O-N 2.88Å; E977-E980 PolarHBondContact O-N 3.34Å; E977-R981 VanDerWaalsContact CD-NH2 3.28Å; E977-R981 HydrophobicContact CG-CG 4.46Å; E977-R981 WeakPolarHBondContact O-CB 3.17Å; E977-R981 VanDerWaalsContact O-CG 3.29Å; E977-R981 WeakPolarHBondContact O-CG 3.38Å; E977-R981 PolarHBondContact O-N 2.94Å; E977-R981 IonicContact OE1-CZ 3.26Å; E977-R981 IonicContact OE1-NE 2.76Å; E977-R981 PolarHBondContact OE1-NE 3.36Å; E977-R981 IonicContact OE1-NH2 2.9Å; E977-R981 PolarHBondContact OE1-NH2 3.38Å; E977-R981 IonicContact OE2-CZ 2.71Å; E977-R981 IonicContact OE2-NH2 2.62Å
978	S	82.6	Confident	75.9	Confident	54 Å²	54	75.7 Å²	75.7	38%	0.378	37%	0.366	S	S	.	.	H	α-helix	trans	-61.7	-33.4	176.5	81	0	0	0	0	112.6	T974 Y975 L976 F982	T974-S978 PolarHBondContact O-N 3.31Å; T974-S978 VanDerWaalsContact O-N 3.1Å; Y975-S978 WeakPolarHBondContact O-CB 3.48Å; Y975-S978 PolarHBondContact O-N 3.04Å; Y975-S978 VanDerWaalsContact O-N 3.14Å; Y975-S978 PolarHBondContact O-OG 3.11Å; L976-S978 VanDerWaalsContact C-N 3.3Å; L976-S978 PolarHBondContact O-N 3.34Å; S978-F982 WeakPolarHBondContact O-CB 3.47Å; S978-F982 PolarHBondContact O-N 3.16Å
979	Q	85.7	Confident	73.6	Confident	60 Å²	60	74.2 Å²	74.2	28%	0.28	36%	0.362	S	S	.	.	H	α-helix	trans	-82.3	-33.7	179.3	-55.3	-57.8	-86.8	0	0	111.9	V944 L950 Y975 L976 E977 F982 M983	V944-Q979 HydrophobicContact CG1-CB 4.32Å; V944-Q979 HydrophobicContact CG1-CG 4.16Å; L950-Q979 VanDerWaalsContact CD1-C 3.45Å; L950-Q979 HydrophobicContact CD1-CB 3.55Å; Y975-Q979 HydrophobicContact CD2-CG 4.25Å; Y975-Q979 HydrophobicContact CE1-CG 4.39Å; Y975-Q979 HydrophobicContact CE2-CG 3.73Å; Y975-Q979 WeakPolarHBondContact O-CG 3.31Å; Y975-Q979 PolarHBondContact O-N 2.85Å; L976-Q979 CarbonylContact O-C 3.58Å; L976-Q979 PolarHBondContact O-N 2.63Å; E977-Q979 PolarHBondContact O-N 2.88Å; Q979-F982 PolarHBondContact O-N 3.04Å; Q979-M983 PolarHBondContact O-N 3.24Å
980	E	79.9	Confident	71.1	Confident	36 Å²	36	83.9 Å²	83.9	17%	0.168	40%	0.398	C	S	.	.	H	α-helix	trans	-62.4	-49.5	171.7	-75.9	174	-164.7	0	0	110.7	L950 M961 L976 E977 F982 M983 H984	L950-E980 HydrophobicContact CB-CG 3.55Å; L950-E980 HydrophobicContact CD1-CB 4.4Å; L950-E980 HydrophobicContact CD1-CG 3.75Å; L950-E980 HydrophobicContact CG-CG 4.26Å; M961-E980 WeakPolarHBondContact CB-OE1 3.5Å; M961-E980 VanDerWaalsContact CE-OE2 3.23Å; M961-E980 WeakPolarHBondContact CE-OE2 3.46Å; L976-E980 WeakPolarHBondContact O-CG 3.19Å; L976-E980 PolarHBondContact O-N 2.77Å; E977-E980 PolarHBondContact O-N 3.34Å; E980-F982 VanDerWaalsContact C-N 3.27Å; E980-F982 PolarHBondContact O-N 2.95Å; E980-M983 PolarHBondContact O-N 2.91Å; E980-H984 PolarHBondContact O-CD2 3.07Å; E980-H984 PolarHBondContact O-N 3.21Å
981	R	74.1	Confident	68.6	Low	156 Å²	156	89.6 Å²	89.6	59%	0.589	43%	0.427	S	S	*	.	H	α-helix	trans	-57.5	-40.6	174.8	-68.9	173.8	-177.9	-154.1	6.8	111.6	E977 H984 L985	E977-R981 VanDerWaalsContact CD-NH2 3.28Å; E977-R981 HydrophobicContact CG-CG 4.46Å; E977-R981 WeakPolarHBondContact O-CB 3.17Å; E977-R981 VanDerWaalsContact O-CG 3.29Å; E977-R981 WeakPolarHBondContact O-CG 3.38Å; E977-R981 PolarHBondContact O-N 2.94Å; E977-R981 IonicContact OE1-CZ 3.26Å; E977-R981 IonicContact OE1-NE 2.76Å; E977-R981 PolarHBondContact OE1-NE 3.36Å; E977-R981 IonicContact OE1-NH2 2.9Å; E977-R981 PolarHBondContact OE1-NH2 3.38Å; E977-R981 IonicContact OE2-CZ 2.71Å; E977-R981 IonicContact OE2-NH2 2.62Å; R981-H984 PolarHBondContact O-N 3.06Å; R981-L985 WeakPolarHBondContact O-CG 3.36Å; R981-L985 PolarHBondContact O-N 3.16Å; R981-L985 VanDerWaalsContact O-N 3.15Å
982	F	70.3	Confident	67.8	Low	113 Å²	113	88 Å²	88	50%	0.496	42%	0.42	S	S	.	.	H	α-helix	trans	-63.9	-47.1	175.4	-172.8	-89.8	0	0	0	112.4	S978 Q979 E980 H984 L985 E986	S978-F982 WeakPolarHBondContact O-CB 3.47Å; S978-F982 PolarHBondContact O-N 3.16Å; Q979-F982 PolarHBondContact O-N 3.04Å; E980-F982 VanDerWaalsContact C-N 3.27Å; E980-F982 PolarHBondContact O-N 2.95Å; F982-H984 VanDerWaalsContact C-N 3.33Å; F982-H984 PolarHBondContact O-N 2.95Å; F982-L985 WeakPolarHBondContact O-CB 3.45Å; F982-L985 PolarHBondContact O-N 3.43Å; F982-E986 HydrophobicContact CD1-CG 4.32Å; F982-E986 HydrophobicContact CE1-CG 3.97Å; F982-E986 PolarHBondContact O-N 2.95Å
983	M	65.4	Low	66.5	Low	54 Å²	54	92.6 Å²	92.6	27%	0.266	44%	0.441	S	S	.	.	H	α-helix	trans	-67.2	-30.5	177.3	-70.4	-144.5	-54.8	0	0	113.4	L950 Q979 E980 E986 K987	L950-M983 HydrophobicContact CB-CE 4.11Å; L950-M983 HydrophobicContact CD1-CE 3.93Å; L950-M983 HydrophobicContact CG-CE 3.86Å; Q979-M983 PolarHBondContact O-N 3.24Å; E980-M983 PolarHBondContact O-N 2.91Å; M983-E986 PolarHBondContact O-N 3Å; M983-K987 WeakPolarHBondContact O-CG 3.46Å; M983-K987 PolarHBondContact O-N 3.49Å
984	H	61	Low	65.3	Low	104 Å²	104	97.4 Å²	97.4	48%	0.481	46%	0.463	S	S	.	.	H	α-helix	trans	-67.7	-37.9	173.3	-90.2	-91.2	0	0	0	112.2	E980 R981 F982 K987 Q988	E980-H984 PolarHBondContact O-CD2 3.07Å; E980-H984 PolarHBondContact O-N 3.21Å; R981-H984 PolarHBondContact O-N 3.06Å; F982-H984 VanDerWaalsContact C-N 3.33Å; F982-H984 PolarHBondContact O-N 2.95Å; H984-K987 PolarHBondContact O-N 3.12Å; H984-Q988 WeakPolarHBondContact O-CG 3.48Å; H984-Q988 PolarHBondContact O-N 3.25Å
985	L	53.5	Low	64	Low	107 Å²	107	97.8 Å²	97.8	56%	0.56	46%	0.458	S	S	*	.	H	α-helix	trans	-63.7	-43.1	170.9	-72.7	161.3	0	0	0	111.9	R981 F982 K987 Q988 T989	R981-L985 WeakPolarHBondContact O-CG 3.36Å; R981-L985 PolarHBondContact O-N 3.16Å; R981-L985 VanDerWaalsContact O-N 3.15Å; F982-L985 WeakPolarHBondContact O-CB 3.45Å; F982-L985 PolarHBondContact O-N 3.43Å; L985-K987 VanDerWaalsContact C-N 3.32Å; L985-K987 PolarHBondContact O-N 3.47Å; L985-Q988 PolarHBondContact O-N 2.71Å; L985-T989 WeakPolarHBondContact O-CG2 3.01Å; L985-T989 PolarHBondContact O-N 3.44Å; L985-T989 VanDerWaalsContact O-N 3.09Å; L985-T989 PolarHBondContact O-OG1 3.43Å
986	E	48	Very low	62.5	Low	90 Å²	90	100.5 Å²	100.5	42%	0.421	47%	0.473	S	S	.	.	H	α-helix	trans	-62.8	-33.6	174.3	-73.4	-161.2	149.5	0	0	113.6	F982 M983 T989 R990	F982-E986 HydrophobicContact CD1-CG 4.32Å; F982-E986 HydrophobicContact CE1-CG 3.97Å; F982-E986 PolarHBondContact O-N 2.95Å; M983-E986 PolarHBondContact O-N 3Å; E986-T989 PolarHBondContact O-OG1 2.93Å; E986-R990 WeakPolarHBondContact O-CG 3.49Å
987	K	47.8	Very low	60.7	Low	101 Å²	101	107.2 Å²	107.2	44%	0.439	50%	0.504	S	S	.	.	H	α-helix	trans	-72.6	-38.5	175.6	-74.8	175.6	-176.2	174.2	0	111.7	D951 M983 H984 L985 R990	D951-K987 IonicContact OD2-NZ 2.86Å; D951-K987 PolarHBondContact OD2-NZ 3.33Å; M983-K987 WeakPolarHBondContact O-CG 3.46Å; M983-K987 PolarHBondContact O-N 3.49Å; H984-K987 PolarHBondContact O-N 3.12Å; L985-K987 VanDerWaalsContact C-N 3.32Å; L985-K987 PolarHBondContact O-N 3.47Å; K987-R990 PolarHBondContact O-N 3.14Å
988	Q	43	Very low	58.9	Low	144 Å²	144	110 Å²	110	67%	0.673	52%	0.518	S	S	*	.	H	α-helix	trans	-73.2	-23.4	179.2	-75.7	-179.3	-21.7	0	0	113.5	H984 L985 R990	H984-Q988 WeakPolarHBondContact O-CG 3.48Å; H984-Q988 PolarHBondContact O-N 3.25Å; L985-Q988 PolarHBondContact O-N 2.71Å; Q988-R990 VanDerWaalsContact C-N 3.26Å; Q988-R990 PolarHBondContact O-N 3.19Å
989	T	41.3	Very low	57	Low	103 Å²	103	114.3 Å²	114.3	63%	0.632	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	16.3	174.6	52.4	0	0	0	0	114.2	L985 E986	L985-T989 WeakPolarHBondContact O-CG2 3.01Å; L985-T989 PolarHBondContact O-N 3.44Å; L985-T989 VanDerWaalsContact O-N 3.09Å; L985-T989 PolarHBondContact O-OG1 3.43Å; E986-T989 PolarHBondContact O-OG1 2.93Å
990	R	37.7	Very low	54.6	Low	205 Å²	205	118.8 Å²	118.8	77%	0.774	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	15.4	178.7	-69.2	-173.6	-177	-167.9	6.8	114.2	E986 K987 Q988	E986-R990 WeakPolarHBondContact O-CG 3.49Å; K987-R990 PolarHBondContact O-N 3.14Å; Q988-R990 VanDerWaalsContact C-N 3.26Å; Q988-R990 PolarHBondContact O-N 3.19Å
991	I	33.6	Very low	52.3	Low	213 Å²	213	126.4 Å²	126.4	100%	1.092	58%	0.584	S	S	*	*			trans	-118.2	0	167.8	-55.6	179.9	0	0	0	106.6

Retrieved 991 of 991 residues in 1628.7 ms (Link to these results)

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