A0A087Y7D8_POEFO Loading...

Glutamate receptor

Independent of its ionotropic glutamate receptor activity, acts as a thermoreceptor conferring sensitivity to cold temperatures. Functions in dorsal root ganglion neurons. Ionotropic glutamate receptor that functions as a cation-permeable ligand-gated ion channel, gated by L-glutamate and the glutamatergic agonist kainic acid. L-glutamate acts as an excitatory neurotransmitter at many synapses in the central nervous system. Binding of the excitatory neurotransmitter L-glutamate induces a conformation change, leading to the opening of the cation channel, and thereby converts the chemical signal to an electrical impulse. The receptor then desensitizes rapidly and enters a transient inactive state, characterized by the presence of bound agonist. Receptor for glutamate that functions as a ligand-gated ion channel in the central nervous system and plays an important role in excitatory synaptic transmission. L-glutamate acts as an excitatory neurotransmitter at many synapses in the central nervous system.

AlphaFold DB , UniProt , Accession A0A087Y7D8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 883 aa.

						>A0A087Y7D8_POEFO|A0A087Y7D8
MCTCSSCSCSCKRLFFEFYLCLCLGADFMTTLCAFVSCFSGGIFEQTDVPASLVSAEELAFKFAVNNINRNRTLLPNTTLTYDIQRINIYDSFEASRKACDQLSLGVVAIFGPSHSSSSNAVQSICNALEVPHIQVRWKHHPMDNRDTFYANLYPDYSSLSYAILDLVQYLKWKTATVVYDDSTGLIRLQELIMAPSRYNIRLKIRQLPLDTEDTRPLLKEMKRSREFRIIFDCSHHMAAQILKQAQTMGMMTEYYHYIFTTLDLMAIDLEPYRFCGVNMTGFRILNVDNPQVASIVEKWSMERQIPPKPDSGLLEGIMTTDAALTYDAVHIVSVSYQHAPQMTVNSLQCHRHKPWRFGGRFMSFIKESHWDGLTGRLSFNKTTGLRTDFDLDIVSLKEDGLEKPFKHIHRIGFNWVSLVGKWSASGGLNITEVPKRKGMNITDSLSNRSLVITTILEEPYVMLKKSDKALVGNDRFEGFCIDLLKELAKILGFTYEIRLVPDGKYGSQDDKGQWNGMIRELMEHRADLAVAPLTITYVREKVIDFSKPFMSMGISILYRRPNATNSGFFSFLNPMTPDIWVYILLAYLGVSCVLFVIARFSPYEWYDAHPCNPGSDVVENNFTLLNSFWFGVGSLMQQGSELMPKALSTRIIGGIWWFFTLIIISSYTANLAAFLTVERMDSPVDSADDIAKQTKIEYGVVRDGATMAFFKKSKVSTFEKMWAFMSSRPRTSLVKSVEDGVQRVLKSDYALITESTTIDYITRRNCNLTQVGGLIDSKGYGIGTPLGSPYRDKISIAILSILEDGLLHVLKEKWWSGSGCLDEERRETGPMGIQNLGGIFIVLASGLVLSVFVAIAEFIYKLRKTTEREQLELGFCQGALNH
					

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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	30.4	Very low	27.4	Very low	242 Å²	242	127.7 Å²	127.7	100%	1.192	83%	0.825	S	S	*	*				0	132.9	0	-92.9	172	170	0	0	108
2	C	29.4	Very low	27.9	Very low	115 Å²	115	133.8 Å²	133.8	78%	0.777	83%	0.829	S	S	*	*			trans	72.9	81.8	176.8	-55.4	0	0	0	0	115.8
3	T	25.5	Very low	28.4	Very low	124 Å²	124	140.7 Å²	140.7	76%	0.761	83%	0.83	S	S	*	*				77.8	108	83.3	55.6	0	0	0	0	112.5
4	C	23.8	Very low	28.8	Very low	123 Å²	123	139.9 Å²	139.9	83%	0.831	82%	0.819	S	S	*	*				68.2	137.3	96.9	-79.1	0	0	0	0	112.1
5	S	26.5	Very low	29.3	Very low	102 Å²	102	144.5 Å²	144.5	71%	0.713	83%	0.826	S	S	*	*			cis	177.3	147.4	14.8	38.1	0	0	0	0	104
6	S	26.7	Very low	29.8	Very low	106 Å²	106	147.5 Å²	147.5	74%	0.741	83%	0.827	S	S	*	*				168.7	120	95.1	-85.5	0	0	0	0	108.1
7	C	25.7	Very low	30.2	Very low	122 Å²	122	147.5 Å²	147.5	82%	0.824	82%	0.818	S	S	*	*				81.7	95.8	98.1	-117.1	0	0	0	0	112.4
8	S	26.3	Very low	30.5	Very low	110 Å²	110	148.8 Å²	148.8	77%	0.769	82%	0.815	S	S	*	*				71.6	99	84.6	-173.2	0	0	0	0	113.3
9	C	26.9	Very low	30.8	Very low	130 Å²	130	152.1 Å²	152.1	88%	0.878	82%	0.815	S	S	*	*			trans	-177.8	105.4	140.4	-114.6	0	0	0	0	110.5
10	S	28	Very low	31.2	Very low	102 Å²	102	150.2 Å²	150.2	71%	0.713	81%	0.805	S	S	*	*				162.9	67.9	129.9	-156.7	0	0	0	0	110.7	K12	S10-K12 PolarHBondContact O-N 3.13Å
11	C	32.6	Very low	31.5	Very low	129 Å²	129	148 Å²	148	87%	0.872	80%	0.8	S	S	*	*			trans	-78.1	76.6	164.4	-163.8	0	0	0	0	108.3
12	K	33.3	Very low	32	Very low	201 Å²	201	143.7 Å²	143.7	87%	0.874	78%	0.781	S	S	*	*	S	Bend	trans	-164.9	37.9	167.5	-116	173.6	-173.2	-178.5	0	113.8	S10	S10-K12 PolarHBondContact O-N 3.13Å
13	R	34	Very low	32.6	Very low	223 Å²	223	143 Å²	143	84%	0.842	78%	0.776	S	S	*	*	S	Bend	trans	-141.9	10.9	170.3	-129.5	177.8	-171.4	-174.7	1.2	115.4
14	L	34.3	Very low	33.2	Very low	130 Å²	130	142.4 Å²	142.4	68%	0.681	77%	0.767	S	S	*	*	S	Bend	trans	-104.8	2.1	-172.7	-106.2	116.9	0	0	0	115.8
15	F	36.9	Very low	33.9	Very low	209 Å²	209	139.4 Å²	139.4	92%	0.917	76%	0.757	S	S	*	*	S	Bend	trans	-97	-0.9	176.8	-107.8	-84.9	0	0	0	114.5
16	F	36.5	Very low	34.5	Very low	192 Å²	192	138 Å²	138	84%	0.842	75%	0.752	S	S	*	*	S	Bend	trans	-106.2	-8.2	176.7	-132.2	-94.1	0	0	0	113.7
17	E	36.3	Very low	34.9	Very low	147 Å²	147	138.4 Å²	138.4	69%	0.687	75%	0.746	S	S	*	*	S	Bend	trans	-95	-8.4	179.3	-78.9	-153.1	155.4	0	0	114.9
18	F	36.4	Very low	35.1	Very low	172 Å²	172	141.3 Å²	141.3	75%	0.754	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-15.9	177.9	-113.7	-88.8	0	0	0	114.2
19	Y	35.5	Very low	35.4	Very low	210 Å²	210	143.3 Å²	143.3	82%	0.824	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-11.7	177.1	-120.4	-90.7	0	0	0	114.2
20	L	38.7	Very low	35.8	Very low	115 Å²	115	142.3 Å²	142.3	60%	0.602	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-16.6	175.4	-145.5	76.1	0	0	0	112.8	L24	L20-L24 HydrophobicContact CD2-CD1 4.11Å; L20-L24 HydrophobicContact CG-CD1 4.08Å; L20-L24 PolarHBondContact O-N 3.2Å
21	C	38	Very low	36.1	Very low	103 Å²	103	142.7 Å²	142.7	70%	0.696	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-10.4	-179.7	-130.7	0	0	0	0	114.1
22	L	40.2	Very low	36.2	Very low	153 Å²	153	143.1 Å²	143.1	80%	0.801	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-9.6	175.3	-95.5	153.5	0	0	0	114.1
23	C	41.7	Very low	36.1	Very low	99 Å²	99	138.6 Å²	138.6	67%	0.669	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	-11.6	173.4	-70.4	0	0	0	0	113.8
24	L	39.1	Very low	36.1	Very low	112 Å²	112	132 Å²	132	59%	0.586	71%	0.711	S	S	*	*	S	Bend	trans	-102.6	5	176.1	-73.3	165.7	0	0	0	113.7	L20	L20-L24 HydrophobicContact CD2-CD1 4.11Å; L20-L24 HydrophobicContact CG-CD1 4.08Å; L20-L24 PolarHBondContact O-N 3.2Å
25	G	37.6	Very low	36.4	Very low	60 Å²	60	131.9 Å²	131.9	62%	0.619	71%	0.705	S	S	*	*	S	Bend	trans	-88.9	0.4	172.4	0	0	0	0	0	114.8
26	A	39.7	Very low	37.2	Very low	74 Å²	74	124.5 Å²	124.5	61%	0.612	68%	0.677	S	S	*	*	S	Bend	trans	-102.9	-12	179.5	0	0	0	0	0	114.1
27	D	35.2	Very low	38.2	Very low	114 Å²	114	118 Å²	118	61%	0.61	66%	0.655	S	S	*	*	S	Bend	trans	-109.8	2.6	-178.9	-77.9	-32.5	0	0	0	114.2
28	F	30.9	Very low	39.3	Very low	183 Å²	183	111 Å²	111	80%	0.803	62%	0.623	S	S	*	*	S	Bend	trans	-106.7	2.4	177.3	-127.7	-94.2	0	0	0	114.4
29	M	31.4	Very low	40.8	Very low	152 Å²	152	107 Å²	107	75%	0.749	61%	0.605	S	S	*	*	S	Bend	trans	-105.1	13	168.9	-110	-143.1	85.5	0	0	113.8
30	T	36.7	Very low	42.6	Very low	108 Å²	108	97.1 Å²	97.1	66%	0.663	57%	0.567	S	S	*	*	S	Bend	trans	-117.1	7.9	175.7	35.5	0	0	0	0	113.6
31	T	33.4	Very low	44.1	Very low	111 Å²	111	91.7 Å²	91.7	68%	0.681	54%	0.538	S	S	*	.			trans	-115.5	38.6	170.9	-8.6	0	0	0	0	111.5	C33	T31-C33 PolarHBondContact O-N 3.23Å
32	L	33.6	Very low	46	Very low	137 Å²	137	86.8 Å²	86.8	72%	0.717	51%	0.505	S	S	*	.	S	Bend	trans	-64.4	117.7	145.9	-106.3	130.4	0	0	0	105.5	A34	L32-A34 PolarHBondContact O-N 3.47Å
33	C	32.3	Very low	47.8	Very low	106 Å²	106	79.5 Å²	79.5	72%	0.716	47%	0.467	S	S	*	.			trans	-50.9	97.1	168.2	-151.4	0	0	0	0	106.9	T31 F35	T31-C33 PolarHBondContact O-N 3.23Å; C33-F35 PolarHBondContact O-N 3.16Å
34	A	33.9	Very low	49.7	Very low	85 Å²	85	75.1 Å²	75.1	70%	0.702	44%	0.437	S	S	*	.			trans	-68.7	91.6	179.3	0	0	0	0	0	105.6	L32 V36	L32-A34 PolarHBondContact O-N 3.47Å; A34-V36 VanDerWaalsContact C-N 3.3Å; A34-V36 PolarHBondContact O-N 3.4Å
35	F	39.9	Very low	51.2	Low	128 Å²	128	70.8 Å²	70.8	56%	0.561	41%	0.413	S	S	*	.			trans	-57.7	103.7	163.3	-84.1	-83.3	0	0	0	105.9	C33 S37	C33-F35 PolarHBondContact O-N 3.16Å; F35-S37 PolarHBondContact O-N 3.45Å
36	V	54.8	Low	52.6	Low	53 Å²	53	71.7 Å²	71.7	32%	0.321	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	109.1	176.3	178.6	0	0	0	0	105.8	A34 T78 T79	A34-V36 VanDerWaalsContact C-N 3.3Å; A34-V36 PolarHBondContact O-N 3.4Å; V36-T78 VanDerWaalsContact O-CA 3.25Å; V36-T78 WeakPolarHBondContact O-CA 3.31Å; V36-T78 WeakPolarHBondContact O-CG2 3.35Å; V36-T79 PolarHBondContact O-N 3.11Å
37	S	55.9	Low	53.4	Low	55 Å²	55	71.9 Å²	71.9	39%	0.385	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126.7	175.9	-55.5	0	0	0	0	109.3	F35	F35-S37 PolarHBondContact O-N 3.45Å
38	C	60.4	Low	53.9	Low	2 Å²	2	73.9 Å²	73.9	1%	0.014	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.9	173.6	-174.5	0	0	0	0	108	T78 T79 L80 T81 V108 Y337	C38-T78 HydrophobicContact CB-CG2 3.73Å; C38-T79 PolarHBondContact N-O 3.13Å; C38-L80 HydrophobicContact CB-CD1 4.04Å; C38-T81 PolarHBondContact O-N 3.23Å; C38-T81 PolarHBondContact O-OG1 3.23Å; C38-V108 VanDerWaalsContact SG-CG2 3.53Å; C38-Y337 HydrophobicContact CB-CE1 4.28Å; C38-Y337 HydrophobicContact CB-CE2 4.49Å
39	F	68.7	Low	54.5	Low	88 Å²	88	69.2 Å²	69.2	39%	0.386	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.3	-176.5	-97.8	-89.6	0	0	0	111.1	T81 V107 V108	F39-T81 WeakPolarHBondContact CD1-OG1 3.36Å; F39-T81 WeakPolarHBondContact CD2-OG1 3.35Å; F39-T81 WeakPolarHBondContact CE2-OG1 3.43Å; F39-T81 VanDerWaalsContact CG-OG1 3.25Å; F39-T81 WeakPolarHBondContact CG-OG1 3.36Å; F39-V107 CarbonylContact O-C 3.25Å; F39-V107 VanDerWaalsContact O-CA 3.25Å; F39-V107 WeakPolarHBondContact O-CA 3.27Å; F39-V108 WeakPolarHBondContact O-CG2 3.42Å; F39-V108 PolarHBondContact O-N 3.11Å
40	S	71.9	Confident	55	Low	2 Å²	2	67 Å²	67	1%	0.014	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.4	174.4	-67	0	0	0	0	111.1	T81 Y82 D83	S40-T81 PolarHBondContact N-O 2.97Å; S40-Y82 CarbonylContact O-C 3.48Å; S40-Y82 WeakPolarHBondContact O-CA 3.39Å; S40-D83 PolarHBondContact O-N 2.98Å
41	G	70.6	Confident	54.8	Low	0 Å²	0	66.5 Å²	66.5	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	129.6	174.5	0	0	0	0	0	111.1	A109 I110 F111	G41-A109 PolarHBondContact N-O 2.9Å; G41-I110 CarbonylContact O-C 3.59Å; G41-I110 WeakPolarHBondContact O-CA 3.34Å; G41-F111 PolarHBondContact O-N 3.03Å
42	G	78.4	Confident	55.1	Low	0 Å²	0	66 Å²	66	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132	170.5	0	0	0	0	0	111	D83 I84 Q85 Q102	G42-D83 PolarHBondContact N-O 3.42Å; G42-I84 WeakPolarHBondContact O-CA 3.14Å; G42-Q85 PolarHBondContact O-N 3.44Å; G42-Q102 PolarHBondContact O-NE2 3.45Å; G42-Q102 VanDerWaalsContact O-NE2 3.08Å
43	I	78.4	Confident	56.1	Low	0 Å²	0	64 Å²	64	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114.8	173.7	-54.9	177.8	0	0	0	107.5	Q85 I87 A99 I110 F111 P113 V122	I43-Q85 HydrophobicContact CG1-CB 4.48Å; I43-I87 HydrophobicContact CG2-CD1 3.82Å; I43-I87 HydrophobicContact CG2-CG1 4.13Å; I43-I87 HydrophobicContact CG2-CG2 4.01Å; I43-A99 HydrophobicContact CD1-CB 3.84Å; I43-I110 HydrophobicContact CD1-CG2 4.05Å; I43-I110 HydrophobicContact CG1-CG2 4.34Å; I43-F111 PolarHBondContact N-O 2.87Å; I43-P113 HydrophobicContact CG2-CB 4.3Å; I43-V122 HydrophobicContact CD1-CG2 4.3Å
44	F	80.8	Confident	57.5	Low	7 Å²	7	61 Å²	61	3%	0.031	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142	-176.9	-60.1	-79.7	0	0	0	111	E57 E58 F61 I84 Q85 R86 I87	F44-E57 HydrophobicContact CD1-CB 3.93Å; F44-E57 HydrophobicContact CE1-CB 3.93Å; F44-E58 HydrophobicContact CB-CB 4.4Å; F44-E58 HydrophobicContact CD1-CB 4.35Å; F44-E58 HydrophobicContact CD2-CB 4.06Å; F44-E58 HydrophobicContact CD2-CG 4.08Å; F44-E58 HydrophobicContact CE2-CB 4.44Å; F44-E58 HydrophobicContact CE2-CG 4.42Å; F44-E58 HydrophobicContact CG-CB 4.01Å; F44-E58 HydrophobicContact CG-CG 4.49Å; F44-F61 HydrophobicContact CE1-CB 4.49Å; F44-F61 HydrophobicContact CE2-CB 4.34Å; F44-F61 HydrophobicContact CE2-CD1 4.05Å; F44-F61 HydrophobicContact CE2-CG 4.2Å; F44-F61 HydrophobicContact CZ-CB 3.68Å; F44-F61 HydrophobicContact CZ-CD1 4.06Å; F44-F61 HydrophobicContact CZ-CD2 4.2Å; F44-F61 AromaticContact CZ-CG 3.74Å; F44-F61 HydrophobicContact CZ-CG 3.74Å; F44-I84 HydrophobicContact CD2-CG2 4.06Å; F44-I84 HydrophobicContact CE2-CG1 4.25Å; F44-Q85 PolarHBondContact N-O 3.35Å; F44-R86 VanDerWaalsContact O-CA 3.3Å; F44-R86 WeakPolarHBondContact O-CA 3.5Å; F44-I87 PolarHBondContact O-N 3.24Å
45	E	71.1	Confident	59.2	Low	21 Å²	21	58.8 Å²	58.8	10%	0.098	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	142.5	178.3	-72.1	171	163	0	0	111.2	I87 I89 P113 H115 S118	E45-I87 CarbonylContact C-O 3.46Å; E45-I87 WeakPolarHBondContact CA-O 3.44Å; E45-I87 HydrophobicContact CB-CG1 4.5Å; E45-I87 HydrophobicContact CG-CD1 3.86Å; E45-I87 HydrophobicContact CG-CG1 3.72Å; E45-I89 HydrophobicContact CB-CG1 4.17Å; E45-P113 HydrophobicContact CG-CB 4.27Å; E45-H115 WeakPolarHBondContact OE1-CB 3.45Å; E45-H115 PolarHBondContact OE1-N 3.25Å; E45-H115 WeakPolarHBondContact OE2-CB 3.47Å; E45-H115 PolarHBondContact OE2-N 3.13Å; E45-S118 WeakPolarHBondContact OE1-CB 3.4Å; E45-S118 PolarHBondContact OE1-OG 3.09Å
46	Q	66.2	Low	60.9	Low	79 Å²	79	53.5 Å²	53.5	37%	0.369	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.9	175.1	-171.7	168.7	0.5	0	0	109.7	I87	Q46-I87 PolarHBondContact N-O 2.91Å
47	T	57.8	Low	62.1	Low	79 Å²	79	51.4 Å²	51.4	49%	0.485	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-83.1	139	172.1	46	0	0	0	0	110.2	V49 I89	T47-V49 PolarHBondContact O-N 3.12Å; T47-I89 HydrophobicContact CG2-CD1 3.74Å
48	D	44.1	Very low	63.5	Low	156 Å²	156	49 Å²	49	83%	0.834	29%	0.294	S	S	*	.	S	Bend	trans	-68.1	28.5	-172.3	-77.5	-37.8	0	0	0	116.2
49	V	44.1	Very low	64.6	Low	84 Å²	84	51.6 Å²	51.6	51%	0.509	31%	0.307	S	S	.	.	S	Bend	trans	-101.9	137.8	176.9	-174.8	0	0	0	0	108	T47 A51	T47-V49 PolarHBondContact O-N 3.12Å; V49-A51 PolarHBondContact O-N 3.44Å; V49-A51 VanDerWaalsContact O-N 3.08Å
50	P	41.3	Very low	65.5	Low	105 Å²	105	47.5 Å²	47.5	68%	0.682	29%	0.29	S	S	*	.			trans	-58.9	116.1	-151.5	21.1	-34.6	0	0	0	113.5	S52	P50-S52 PolarHBondContact O-N 2.99Å; P50-S52 PolarHBondContact O-OG 3Å
51	A	34.1	Very low	66.3	Low	99 Å²	99	47.4 Å²	47.4	82%	0.818	29%	0.289	S	S	*	.	S	Bend	trans	37.6	-0.9	154.9	0	0	0	0	0	121.4	V49	V49-A51 PolarHBondContact O-N 3.44Å; V49-A51 VanDerWaalsContact O-N 3.08Å
52	S	39.7	Very low	67.1	Low	99 Å²	99	50 Å²	50	69%	0.692	30%	0.3	S	S	*	.			trans	-124.2	-12.2	-169	61	0	0	0	0	114.8	P50	P50-S52 PolarHBondContact O-N 2.99Å; P50-S52 PolarHBondContact O-OG 3Å
53	L	53.3	Low	67.6	Low	96 Å²	96	51 Å²	51	50%	0.503	30%	0.304	S	S	.	.			trans	-97.3	97.5	174.1	-88.5	112.4	0	0	0	111.2
54	V	62	Low	68.1	Low	44 Å²	44	51 Å²	51	27%	0.267	30%	0.304	S	S	.	.			trans	-59.9	131.7	163	-174.8	0	0	0	0	108.5	E58 L59	V54-E58 HydrophobicContact CG1-CB 3.81Å; V54-E58 HydrophobicContact CG1-CG 3.86Å; V54-E58 WeakPolarHBondContact CG1-OE1 3.48Å; V54-L59 HydrophobicContact CB-CD1 4.24Å; V54-L59 HydrophobicContact CB-CD2 4.05Å; V54-L59 HydrophobicContact CB-CG 3.96Å; V54-L59 HydrophobicContact CG1-CD1 4.45Å; V54-L59 HydrophobicContact CG1-CD2 3.79Å; V54-L59 HydrophobicContact CG1-CG 3.66Å
55	S	69.9	Low	68.4	Low	37 Å²	37	50.6 Å²	50.6	26%	0.259	30%	0.303	S	S	.	.			trans	-54.3	141.5	176.6	177	0	0	0	0	110.8	E57 E58 L59	S55-E57 PolarHBondContact O-N 2.93Å; S55-E57 PolarHBondContact OG-N 3.45Å; S55-E58 PolarHBondContact O-N 2.95Å; S55-E58 VanDerWaalsContact O-N 3.11Å; S55-L59 PolarHBondContact O-N 3.14Å; S55-L59 VanDerWaalsContact O-N 3.09Å
56	A	74.5	Confident	69.2	Low	18 Å²	18	52.4 Å²	52.4	15%	0.149	31%	0.313	C	S	.	.	H	α-helix	trans	-58.3	-31	178.1	0	0	0	0	0	112	A60	A56-A60 VanDerWaalsContact O-CB 3.27Å; A56-A60 WeakPolarHBondContact O-CB 3.25Å; A56-A60 PolarHBondContact O-N 2.88Å
57	E	81.3	Confident	70.2	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.037	31%	0.305	C	S	.	.	H	α-helix	trans	-67	-46.2	175.4	-63	172.5	-177.7	0	0	111.6	F44 S55 L59 A60 F61 S114 R137 D322	F44-E57 HydrophobicContact CD1-CB 3.93Å; F44-E57 HydrophobicContact CE1-CB 3.93Å; S55-E57 PolarHBondContact O-N 2.93Å; S55-E57 PolarHBondContact OG-N 3.45Å; E57-L59 VanDerWaalsContact C-N 3.33Å; E57-L59 PolarHBondContact O-N 3.48Å; E57-A60 PolarHBondContact O-N 2.81Å; E57-F61 WeakPolarHBondContact O-CB 3.48Å; E57-F61 PolarHBondContact O-N 2.89Å; E57-S114 PolarHBondContact OE2-OG 3.27Å; E57-R137 IonicContact OE1-CZ 3.68Å; E57-R137 IonicContact OE1-NE 3.62Å; E57-R137 IonicContact OE1-NH2 3.97Å; E57-D322 HydrophobicContact CG-CB 4.09Å
58	E	85.2	Confident	71.6	Confident	5 Å²	5	46.9 Å²	46.9	2%	0.023	28%	0.283	C	S	.	.	H	α-helix	trans	-62.4	-42.4	177.8	-176	-167.3	143.3	0	0	110.7	F44 V54 S55 F61 K62 I84 R86	F44-E58 HydrophobicContact CB-CB 4.4Å; F44-E58 HydrophobicContact CD1-CB 4.35Å; F44-E58 HydrophobicContact CD2-CB 4.06Å; F44-E58 HydrophobicContact CD2-CG 4.08Å; F44-E58 HydrophobicContact CE2-CB 4.44Å; F44-E58 HydrophobicContact CE2-CG 4.42Å; F44-E58 HydrophobicContact CG-CB 4.01Å; F44-E58 HydrophobicContact CG-CG 4.49Å; V54-E58 HydrophobicContact CG1-CB 3.81Å; V54-E58 HydrophobicContact CG1-CG 3.86Å; V54-E58 WeakPolarHBondContact CG1-OE1 3.48Å; S55-E58 PolarHBondContact O-N 2.95Å; S55-E58 VanDerWaalsContact O-N 3.11Å; E58-F61 PolarHBondContact O-N 3.05Å; E58-K62 WeakPolarHBondContact O-CG 3.38Å; E58-K62 PolarHBondContact O-N 3.16Å; E58-K62 VanDerWaalsContact O-N 3.09Å; E58-K62 WeakPolarHBondContact OE1-CE 3.42Å; E58-K62 IonicContact OE1-NZ 3.86Å; E58-K62 PolarHBondContact OE1-NZ 3.37Å; E58-I84 HydrophobicContact CG-CD1 4.05Å; E58-I84 HydrophobicContact CG-CG2 4.02Å; E58-R86 IonicContact OE1-CZ 3.41Å; E58-R86 IonicContact OE1-NE 3.7Å; E58-R86 IonicContact OE1-NH2 3.13Å; E58-R86 PolarHBondContact OE1-NH2 3.42Å; E58-R86 IonicContact OE2-CZ 3.68Å; E58-R86 IonicContact OE2-NE 2.81Å; E58-R86 PolarHBondContact OE2-NE 3.11Å; E58-R86 IonicContact OE2-NH2 2.89Å; E58-R86 PolarHBondContact OE2-NH2 3.48Å
59	L	83.9	Confident	73.6	Confident	56 Å²	56	42 Å²	42	29%	0.293	26%	0.257	S	S	.	.	H	α-helix	trans	-64	-44.1	175.7	-70.8	173.7	0	0	0	111.5	V54 S55 E57 F61 K62 F63 W300	V54-L59 HydrophobicContact CB-CD1 4.24Å; V54-L59 HydrophobicContact CB-CD2 4.05Å; V54-L59 HydrophobicContact CB-CG 3.96Å; V54-L59 HydrophobicContact CG1-CD1 4.45Å; V54-L59 HydrophobicContact CG1-CD2 3.79Å; V54-L59 HydrophobicContact CG1-CG 3.66Å; S55-L59 PolarHBondContact O-N 3.14Å; S55-L59 VanDerWaalsContact O-N 3.09Å; E57-L59 VanDerWaalsContact C-N 3.33Å; E57-L59 PolarHBondContact O-N 3.48Å; L59-F61 VanDerWaalsContact C-N 3.29Å; L59-F61 PolarHBondContact O-N 3.4Å; L59-K62 PolarHBondContact O-N 3.18Å; L59-F63 VanDerWaalsContact O-CB 3.28Å; L59-F63 WeakPolarHBondContact O-CB 3.44Å; L59-F63 PolarHBondContact O-N 2.98Å; L59-W300 HydrophobicContact CB-CH2 3.63Å; L59-W300 HydrophobicContact CB-CZ3 4.19Å
60	A	86.8	Confident	75.6	Confident	2 Å²	2	47.6 Å²	47.6	2%	0.017	27%	0.269	C	S	.	.	H	α-helix	trans	-63.5	-38.4	179.4	0	0	0	0	0	111.7	A56 E57 F63 A64 W300 A323 T326	A56-A60 VanDerWaalsContact O-CB 3.27Å; A56-A60 WeakPolarHBondContact O-CB 3.25Å; A56-A60 PolarHBondContact O-N 2.88Å; E57-A60 PolarHBondContact O-N 2.81Å; A60-F63 PolarHBondContact O-N 2.92Å; A60-A64 WeakPolarHBondContact O-CB 3.28Å; A60-A64 PolarHBondContact O-N 2.85Å; A60-W300 HydrophobicContact CB-CH2 3.9Å; A60-W300 HydrophobicContact CB-CZ3 4.16Å; A60-A323 HydrophobicContact CB-CB 3.72Å; A60-A323 WeakPolarHBondContact CB-O 3.33Å; A60-T326 HydrophobicContact CB-CG2 4.42Å
61	F	88.6	Confident	77.5	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-49.1	175.2	-177	-103.1	0	0	0	112	F44 E57 E58 L59 F63 A64 V65 Y82 I84 F111 T326 V330	F44-F61 HydrophobicContact CE1-CB 4.49Å; F44-F61 HydrophobicContact CE2-CB 4.34Å; F44-F61 HydrophobicContact CE2-CD1 4.05Å; F44-F61 HydrophobicContact CE2-CG 4.2Å; F44-F61 HydrophobicContact CZ-CB 3.68Å; F44-F61 HydrophobicContact CZ-CD1 4.06Å; F44-F61 HydrophobicContact CZ-CD2 4.2Å; F44-F61 AromaticContact CZ-CG 3.74Å; F44-F61 HydrophobicContact CZ-CG 3.74Å; E57-F61 WeakPolarHBondContact O-CB 3.48Å; E57-F61 PolarHBondContact O-N 2.89Å; E58-F61 PolarHBondContact O-N 3.05Å; L59-F61 VanDerWaalsContact C-N 3.29Å; L59-F61 PolarHBondContact O-N 3.4Å; F61-F63 VanDerWaalsContact C-N 3.32Å; F61-F63 PolarHBondContact O-N 2.77Å; F61-A64 PolarHBondContact O-N 3.24Å; F61-V65 WeakPolarHBondContact O-CG2 3.48Å; F61-V65 PolarHBondContact O-N 3.02Å; F61-V65 VanDerWaalsContact O-N 3.07Å; F61-Y82 HydrophobicContact CE1-CD2 4.26Å; F61-Y82 AromaticContact CE1-CG 3.89Å; F61-Y82 HydrophobicContact CE1-CG 3.89Å; F61-I84 HydrophobicContact CD1-CD1 4.23Å; F61-I84 HydrophobicContact CD1-CG1 4.33Å; F61-I84 HydrophobicContact CE1-CG1 4.29Å; F61-F111 HydrophobicContact CD2-CG 4.49Å; F61-F111 HydrophobicContact CE2-CB 4.43Å; F61-F111 HydrophobicContact CE2-CD1 4.27Å; F61-F111 AromaticContact CE2-CD2 3.72Å; F61-F111 HydrophobicContact CE2-CD2 3.72Å; F61-F111 HydrophobicContact CE2-CE1 4.45Å; F61-F111 AromaticContact CE2-CE2 3.95Å; F61-F111 HydrophobicContact CE2-CE2 3.95Å; F61-F111 AromaticContact CE2-CG 3.9Å; F61-F111 HydrophobicContact CE2-CG 3.9Å; F61-F111 HydrophobicContact CE2-CZ 4.29Å; F61-F111 HydrophobicContact CZ-CD2 4.26Å; F61-T326 HydrophobicContact CB-CG2 3.82Å; F61-T326 HydrophobicContact CD2-CG2 4.32Å; F61-V330 HydrophobicContact CD2-CG2 3.4Å; F61-V330 VanDerWaalsContact CD2-CG2 3.4Å; F61-V330 HydrophobicContact CE2-CG2 3.64Å; F61-V330 HydrophobicContact CG-CG2 4.43Å
62	K	88.3	Confident	79.5	Confident	56 Å²	56	49.6 Å²	49.6	24%	0.243	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-43.5	175	-69.6	179.8	-172.4	168.1	0	111.7	E58 L59 V65 N66 Y82 I84	E58-K62 WeakPolarHBondContact O-CG 3.38Å; E58-K62 PolarHBondContact O-N 3.16Å; E58-K62 VanDerWaalsContact O-N 3.09Å; E58-K62 WeakPolarHBondContact OE1-CE 3.42Å; E58-K62 IonicContact OE1-NZ 3.86Å; E58-K62 PolarHBondContact OE1-NZ 3.37Å; L59-K62 PolarHBondContact O-N 3.18Å; K62-V65 PolarHBondContact O-N 3.38Å; K62-N66 VanDerWaalsContact O-CB 3.31Å; K62-N66 WeakPolarHBondContact O-CB 3.37Å; K62-N66 PolarHBondContact O-N 3.44Å; K62-N66 PolarHBondContact O-ND2 2.92Å; K62-Y82 HydrophobicContact CG-CE2 4.1Å; K62-I84 HydrophobicContact CD-CD1 4.15Å; K62-I84 HydrophobicContact CG-CD1 3.78Å
63	F	87.8	Confident	81.5	Confident	19 Å²	19	49.6 Å²	49.6	8%	0.083	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-46.3	178.2	177.5	-114.1	0	0	0	111.7	L59 A60 F61 N66 N67 I296 K299 W300 E303 M319 Y327	L59-F63 VanDerWaalsContact O-CB 3.28Å; L59-F63 WeakPolarHBondContact O-CB 3.44Å; L59-F63 PolarHBondContact O-N 2.98Å; A60-F63 PolarHBondContact O-N 2.92Å; F61-F63 VanDerWaalsContact C-N 3.32Å; F61-F63 PolarHBondContact O-N 2.77Å; F63-N66 PolarHBondContact O-N 3.35Å; F63-N67 WeakPolarHBondContact O-CB 3.25Å; F63-N67 PolarHBondContact O-N 3.42Å; F63-I296 HydrophobicContact CE1-CG2 3.91Å; F63-I296 HydrophobicContact CZ-CG2 4.38Å; F63-K299 HydrophobicContact CZ-CB 4.19Å; F63-W300 HydrophobicContact CB-CE3 4.09Å; F63-W300 HydrophobicContact CB-CZ3 3.81Å; F63-W300 AromaticContact CD1-CE3 3.73Å; F63-W300 HydrophobicContact CD1-CE3 3.73Å; F63-W300 HydrophobicContact CD1-CZ3 4.22Å; F63-W300 HydrophobicContact CD2-CE3 4.45Å; F63-W300 HydrophobicContact CE1-CB 4.38Å; F63-W300 HydrophobicContact CE1-CE3 4.23Å; F63-W300 AromaticContact CG-CE3 3.84Å; F63-W300 HydrophobicContact CG-CE3 3.84Å; F63-W300 HydrophobicContact CG-CZ3 4.1Å; F63-W300 HydrophobicContact CZ-CB 4.44Å; F63-E303 WeakPolarHBondContact CD2-OE2 3.44Å; F63-E303 VanDerWaalsContact CE2-OE2 3.24Å; F63-E303 WeakPolarHBondContact CE2-OE2 3.23Å; F63-M319 HydrophobicContact CE1-CE 4.49Å; F63-Y327 AromaticContact CD1-CD2 3.85Å; F63-Y327 HydrophobicContact CD1-CD2 3.85Å; F63-Y327 AromaticContact CD1-CE2 3.87Å; F63-Y327 HydrophobicContact CD1-CE2 3.87Å; F63-Y327 HydrophobicContact CE1-CD2 4.17Å; F63-Y327 AromaticContact CE1-CE2 3.86Å; F63-Y327 HydrophobicContact CE1-CE2 3.86Å
64	A	88.5	Confident	82.5	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-49	178.4	0	0	0	0	0	112	A60 F61 N66 N67 I68 Y327 V330	A60-A64 WeakPolarHBondContact O-CB 3.28Å; A60-A64 PolarHBondContact O-N 2.85Å; F61-A64 PolarHBondContact O-N 3.24Å; A64-N66 PolarHBondContact O-N 2.92Å; A64-N67 PolarHBondContact O-N 3.37Å; A64-I68 WeakPolarHBondContact O-CG1 3.49Å; A64-I68 PolarHBondContact O-N 3.4Å; A64-Y327 HydrophobicContact CB-CD2 3.51Å; A64-Y327 HydrophobicContact CB-CE2 4.01Å; A64-Y327 HydrophobicContact CB-CG 4.13Å; A64-V330 HydrophobicContact CB-CB 3.84Å; A64-V330 HydrophobicContact CB-CG1 4.08Å; A64-V330 HydrophobicContact CB-CG2 4.01Å
65	V	88.4	Confident	83.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.7	-42.9	179.5	178.2	0	0	0	0	111.3	F61 K62 N67 I68 N69 L80 Y82 V330	F61-V65 WeakPolarHBondContact O-CG2 3.48Å; F61-V65 PolarHBondContact O-N 3.02Å; F61-V65 VanDerWaalsContact O-N 3.07Å; K62-V65 PolarHBondContact O-N 3.38Å; V65-N67 VanDerWaalsContact C-N 3.31Å; V65-N67 PolarHBondContact O-N 2.93Å; V65-I68 PolarHBondContact O-N 3.13Å; V65-N69 WeakPolarHBondContact CG1-ND2 3.28Å; V65-N69 WeakPolarHBondContact O-CB 3.45Å; V65-N69 PolarHBondContact O-N 2.94Å; V65-N69 PolarHBondContact O-ND2 2.82Å; V65-L80 HydrophobicContact CB-CD2 4.35Å; V65-L80 HydrophobicContact CG1-CB 4.15Å; V65-L80 HydrophobicContact CG1-CD2 3.95Å; V65-L80 HydrophobicContact CG1-CG 3.94Å; V65-L80 WeakPolarHBondContact CG1-O 3.4Å; V65-L80 HydrophobicContact CG2-CD2 3.92Å; V65-L80 HydrophobicContact CG2-CG 4.45Å; V65-Y82 HydrophobicContact CB-CD1 3.88Å; V65-Y82 HydrophobicContact CB-CE1 4.13Å; V65-Y82 HydrophobicContact CG1-CD1 3.67Å; V65-Y82 HydrophobicContact CG1-CE1 4.04Å; V65-Y82 HydrophobicContact CG2-CD1 3.98Å; V65-V330 HydrophobicContact CG2-CG1 3.83Å
66	N	87.8	Confident	83.9	Confident	59 Å²	59	46.8 Å²	46.8	32%	0.316	23%	0.23	S	C	.	.	H	α-helix	trans	-62.3	-39	176	-73.9	-20.3	0	0	0	112	K62 F63 A64 R70	K62-N66 VanDerWaalsContact O-CB 3.31Å; K62-N66 WeakPolarHBondContact O-CB 3.37Å; K62-N66 PolarHBondContact O-N 3.44Å; K62-N66 PolarHBondContact O-ND2 2.92Å; F63-N66 PolarHBondContact O-N 3.35Å; A64-N66 PolarHBondContact O-N 2.92Å; N66-R70 WeakPolarHBondContact O-CB 3.25Å; N66-R70 VanDerWaalsContact O-CG 3.22Å; N66-R70 WeakPolarHBondContact O-CG 3.29Å; N66-R70 PolarHBondContact O-N 3.44Å
67	N	87.2	Confident	84.2	Confident	38 Å²	38	52 Å²	52	20%	0.203	26%	0.255	C	S	.	.	H	α-helix	trans	-66.8	-43.8	178.4	-163	9.1	0	0	0	111.7	F63 A64 V65 R70 N71 Y327	F63-N67 WeakPolarHBondContact O-CB 3.25Å; F63-N67 PolarHBondContact O-N 3.42Å; A64-N67 PolarHBondContact O-N 3.37Å; V65-N67 VanDerWaalsContact C-N 3.31Å; V65-N67 PolarHBondContact O-N 2.93Å; N67-R70 PolarHBondContact O-N 2.81Å; N67-N71 WeakPolarHBondContact O-CB 3.43Å; N67-N71 PolarHBondContact O-N 2.91Å; N67-Y327 PolarHBondContact ND2-OH 2.92Å
68	I	86.1	Confident	84.3	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-64.1	-44.9	176	-65.9	163.4	0	0	0	111	A64 V65 R70 N71 L74 L80 V330 H331	A64-I68 WeakPolarHBondContact O-CG1 3.49Å; A64-I68 PolarHBondContact O-N 3.4Å; V65-I68 PolarHBondContact O-N 3.13Å; I68-R70 VanDerWaalsContact C-N 3.31Å; I68-R70 PolarHBondContact O-N 3.34Å; I68-N71 CarbonylContact O-C 3.53Å; I68-N71 VanDerWaalsContact O-C 3.25Å; I68-N71 PolarHBondContact O-N 3.39Å; I68-N71 VanDerWaalsContact O-N 3.17Å; I68-L74 HydrophobicContact CG1-CD1 4.38Å; I68-L74 HydrophobicContact CG2-CD1 4.41Å; I68-L80 HydrophobicContact CD1-CD2 4.44Å; I68-V330 HydrophobicContact CD1-CG1 3.63Å; I68-H331 WeakPolarHBondContact CG1-CE1 3.48Å
69	N	87.6	Confident	84.2	Confident	54 Å²	54	54.9 Å²	54.9	29%	0.289	27%	0.274	S	S	.	.	H	α-helix	trans	-66.4	-31.8	179.3	-76.3	-29.5	0	0	0	113.1	V65 L80	V65-N69 WeakPolarHBondContact CG1-ND2 3.28Å; V65-N69 WeakPolarHBondContact O-CB 3.45Å; V65-N69 PolarHBondContact O-N 2.94Å; V65-N69 PolarHBondContact O-ND2 2.82Å; N69-L80 PolarHBondContact ND2-O 3.47Å; N69-L80 PolarHBondContact OD1-N 2.99Å
70	R	85	Confident	84.3	Confident	201 Å²	201	52.6 Å²	52.6	76%	0.758	26%	0.261	S	S	*	.	H	α-helix	trans	-71.2	-38.3	172.5	-76.2	175.1	179.4	178.1	2.9	111.3	N66 N67 I68 R72	N66-R70 WeakPolarHBondContact O-CB 3.25Å; N66-R70 VanDerWaalsContact O-CG 3.22Å; N66-R70 WeakPolarHBondContact O-CG 3.29Å; N66-R70 PolarHBondContact O-N 3.44Å; N67-R70 PolarHBondContact O-N 2.81Å; I68-R70 VanDerWaalsContact C-N 3.31Å; I68-R70 PolarHBondContact O-N 3.34Å; R70-R72 PolarHBondContact O-N 2.89Å
71	N	80.6	Confident	84.3	Confident	82 Å²	82	54.3 Å²	54.3	44%	0.439	27%	0.272	S	S	.	.			trans	-96.6	85.4	-179.4	-164.3	5.7	0	0	0	111.7	N67 I68 T73	N67-N71 WeakPolarHBondContact O-CB 3.43Å; N67-N71 PolarHBondContact O-N 2.91Å; I68-N71 CarbonylContact O-C 3.53Å; I68-N71 VanDerWaalsContact O-C 3.25Å; I68-N71 PolarHBondContact O-N 3.39Å; I68-N71 VanDerWaalsContact O-N 3.17Å; N71-T73 PolarHBondContact O-N 3.47Å; N71-T73 WeakPolarHBondContact OD1-CG2 3.18Å; N71-T73 PolarHBondContact OD1-OG1 3.39Å
72	R	76.9	Confident	84.3	Confident	163 Å²	163	58.1 Å²	58.1	62%	0.615	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	16.8	-176.5	-65.2	-167.3	176.8	-167.6	0	115.8	R70	R70-R72 PolarHBondContact O-N 2.89Å
73	T	80.9	Confident	84.3	Confident	100 Å²	100	57.3 Å²	57.3	61%	0.613	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-36.2	176	51.6	0	0	0	0	112.7	N71	N71-T73 PolarHBondContact O-N 3.47Å; N71-T73 WeakPolarHBondContact OD1-CG2 3.18Å; N71-T73 PolarHBondContact OD1-OG1 3.39Å
74	L	76.1	Confident	84.3	Confident	20 Å²	20	58 Å²	58	11%	0.105	29%	0.29	C	S	.	.	S	Bend	trans	-80.9	-47.4	-178.1	-76.1	153.9	0	0	0	112.3	I68 V335 Q338 W371	I68-L74 HydrophobicContact CG1-CD1 4.38Å; I68-L74 HydrophobicContact CG2-CD1 4.41Å; L74-V335 HydrophobicContact CD2-CG2 3.98Å; L74-Q338 VanDerWaalsContact O-CD 3.27Å; L74-Q338 PolarHBondContact O-NE2 3.41Å; L74-W371 HydrophobicContact CD2-CH2 4.48Å; L74-W371 HydrophobicContact CD2-CZ3 4.41Å
75	L	81.1	Confident	84.3	Confident	16 Å²	16	59.6 Å²	59.6	8%	0.084	30%	0.297	C	S	.	.			trans	-131.1	92	-176.5	-65.1	175.5	0	0	0	110.5	Y337 Q338	L75-Y337 HydrophobicContact CD2-CD1 4.14Å; L75-Q338 HydrophobicContact CD2-CB 4.25Å
76	P	78.9	Confident	84.2	Confident	82 Å²	82	64.8 Å²	64.8	53%	0.532	32%	0.316	S	S	.	.	S	Bend	trans	-76.4	-34.5	-176.3	27.3	-33.5	0	0	0	113.5
77	N	82.1	Confident	84.1	Confident	126 Å²	126	62 Å²	62	67%	0.674	30%	0.301	S	S	*	.	S	Bend	trans	-108.6	-0.8	-172.9	-63.6	-15.3	0	0	0	113.7
78	T	81.8	Confident	84	Confident	24 Å²	24	64 Å²	64	15%	0.147	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.9	-173.6	-58.6	0	0	0	0	109.4	V36 C38 Y337	V36-T78 VanDerWaalsContact O-CA 3.25Å; V36-T78 WeakPolarHBondContact O-CA 3.31Å; V36-T78 WeakPolarHBondContact O-CG2 3.35Å; C38-T78 HydrophobicContact CB-CG2 3.73Å; T78-Y337 HydrophobicContact CG2-CD1 4.5Å; T78-Y337 HydrophobicContact CG2-CE1 3.78Å
79	T	84.3	Confident	83.5	Confident	51 Å²	51	66.4 Å²	66.4	31%	0.313	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	128.6	172.1	49.1	0	0	0	0	109.8	V36 C38	V36-T79 PolarHBondContact O-N 3.11Å; C38-T79 PolarHBondContact N-O 3.13Å
80	L	84.6	Confident	83.2	Confident	7 Å²	7	71.9 Å²	71.9	4%	0.037	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	120.4	174.9	-173	65.2	0	0	0	108.8	C38 V65 I68 N69 V330	C38-L80 HydrophobicContact CB-CD1 4.04Å; V65-L80 HydrophobicContact CB-CD2 4.35Å; V65-L80 HydrophobicContact CG1-CB 4.15Å; V65-L80 HydrophobicContact CG1-CD2 3.95Å; V65-L80 HydrophobicContact CG1-CG 3.94Å; V65-L80 WeakPolarHBondContact CG1-O 3.4Å; V65-L80 HydrophobicContact CG2-CD2 3.92Å; V65-L80 HydrophobicContact CG2-CG 4.45Å; I68-L80 HydrophobicContact CD1-CD2 4.44Å; N69-L80 PolarHBondContact ND2-O 3.47Å; N69-L80 PolarHBondContact OD1-N 2.99Å; L80-V330 HydrophobicContact CD2-CG1 3.94Å
81	T	87.6	Confident	83.3	Confident	39 Å²	39	65.1 Å²	65.1	24%	0.239	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	155.3	178.5	53.3	0	0	0	0	109.2	C38 F39 S40	C38-T81 PolarHBondContact O-N 3.23Å; C38-T81 PolarHBondContact O-OG1 3.23Å; F39-T81 WeakPolarHBondContact CD1-OG1 3.36Å; F39-T81 WeakPolarHBondContact CD2-OG1 3.35Å; F39-T81 WeakPolarHBondContact CE2-OG1 3.43Å; F39-T81 VanDerWaalsContact CG-OG1 3.25Å; F39-T81 WeakPolarHBondContact CG-OG1 3.36Å; S40-T81 PolarHBondContact N-O 2.97Å
82	Y	88.3	Confident	83.7	Confident	80 Å²	80	63.6 Å²	63.6	31%	0.314	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	151.7	-179.2	59.9	-98.5	0	0	0	113.1	S40 F61 K62 V65 I84	S40-Y82 CarbonylContact O-C 3.48Å; S40-Y82 WeakPolarHBondContact O-CA 3.39Å; F61-Y82 HydrophobicContact CE1-CD2 4.26Å; F61-Y82 AromaticContact CE1-CG 3.89Å; F61-Y82 HydrophobicContact CE1-CG 3.89Å; K62-Y82 HydrophobicContact CG-CE2 4.1Å; V65-Y82 HydrophobicContact CB-CD1 3.88Å; V65-Y82 HydrophobicContact CB-CE1 4.13Å; V65-Y82 HydrophobicContact CG1-CD1 3.67Å; V65-Y82 HydrophobicContact CG1-CE1 4.04Å; V65-Y82 HydrophobicContact CG2-CD1 3.98Å; Y82-I84 HydrophobicContact CD2-CD1 3.59Å; Y82-I84 HydrophobicContact CD2-CG1 3.78Å; Y82-I84 HydrophobicContact CE2-CD1 3.52Å; Y82-I84 HydrophobicContact CE2-CG1 4.2Å
83	D	88.2	Confident	84.3	Confident	38 Å²	38	63 Å²	63	20%	0.203	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.5	166.6	179.1	67.9	0	0	0	109.3	S40 G42 Q85 Q102	S40-D83 PolarHBondContact O-N 2.98Å; G42-D83 PolarHBondContact N-O 3.42Å; D83-Q85 PolarHBondContact OD1-NE2 3.45Å; D83-Q85 WeakPolarHBondContact OD2-CG 3.3Å; D83-Q85 PolarHBondContact OD2-NE2 3.46Å; D83-Q102 PolarHBondContact O-NE2 3.17Å; D83-Q102 WeakPolarHBondContact OD2-CG 3.47Å; D83-Q102 PolarHBondContact OD2-NE2 2.79Å
84	I	88.5	Confident	84.7	Confident	35 Å²	35	59.8 Å²	59.8	18%	0.179	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120	-177.4	-71.6	168.2	0	0	0	108.9	G42 F44 E58 F61 K62 Y82	G42-I84 WeakPolarHBondContact O-CA 3.14Å; F44-I84 HydrophobicContact CD2-CG2 4.06Å; F44-I84 HydrophobicContact CE2-CG1 4.25Å; E58-I84 HydrophobicContact CG-CD1 4.05Å; E58-I84 HydrophobicContact CG-CG2 4.02Å; F61-I84 HydrophobicContact CD1-CD1 4.23Å; F61-I84 HydrophobicContact CD1-CG1 4.33Å; F61-I84 HydrophobicContact CE1-CG1 4.29Å; K62-I84 HydrophobicContact CD-CD1 4.15Å; K62-I84 HydrophobicContact CG-CD1 3.78Å; Y82-I84 HydrophobicContact CD2-CD1 3.59Å; Y82-I84 HydrophobicContact CD2-CG1 3.78Å; Y82-I84 HydrophobicContact CE2-CD1 3.52Å; Y82-I84 HydrophobicContact CE2-CG1 4.2Å
85	Q	87.6	Confident	85.4	Confident	32 Å²	32	58.9 Å²	58.9	15%	0.15	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.1	172.8	-60	-61.8	-34.3	0	0	109.7	G42 I43 F44 D83 K98 Q102	G42-Q85 PolarHBondContact O-N 3.44Å; I43-Q85 HydrophobicContact CG1-CB 4.48Å; F44-Q85 PolarHBondContact N-O 3.35Å; D83-Q85 PolarHBondContact OD1-NE2 3.45Å; D83-Q85 WeakPolarHBondContact OD2-CG 3.3Å; D83-Q85 PolarHBondContact OD2-NE2 3.46Å; Q85-K98 HydrophobicContact CB-CB 3.98Å; Q85-K98 HydrophobicContact CB-CD 4.24Å; Q85-K98 HydrophobicContact CB-CG 4.12Å; Q85-K98 HydrophobicContact CG-CB 4.14Å; Q85-K98 HydrophobicContact CG-CD 4.19Å; Q85-K98 HydrophobicContact CG-CG 4.46Å; Q85-Q102 HydrophobicContact CG-CG 4.11Å
86	R	87.4	Confident	85.8	Confident	109 Å²	109	59.4 Å²	59.4	41%	0.411	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	135.2	174.4	-65.7	-179.8	-179.7	163.2	2.9	109.6	F44 E58	F44-R86 VanDerWaalsContact O-CA 3.3Å; F44-R86 WeakPolarHBondContact O-CA 3.5Å; E58-R86 IonicContact OE1-CZ 3.41Å; E58-R86 IonicContact OE1-NE 3.7Å; E58-R86 IonicContact OE1-NH2 3.13Å; E58-R86 PolarHBondContact OE1-NH2 3.42Å; E58-R86 IonicContact OE2-CZ 3.68Å; E58-R86 IonicContact OE2-NE 2.81Å; E58-R86 PolarHBondContact OE2-NE 3.11Å; E58-R86 IonicContact OE2-NH2 2.89Å; E58-R86 PolarHBondContact OE2-NH2 3.48Å
87	I	86.4	Confident	86.4	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	158.6	-179.1	63.8	167.9	0	0	0	110.8	I43 F44 E45 Q46 E94 A95 K98 P113	I43-I87 HydrophobicContact CG2-CD1 3.82Å; I43-I87 HydrophobicContact CG2-CG1 4.13Å; I43-I87 HydrophobicContact CG2-CG2 4.01Å; F44-I87 PolarHBondContact O-N 3.24Å; E45-I87 CarbonylContact C-O 3.46Å; E45-I87 WeakPolarHBondContact CA-O 3.44Å; E45-I87 HydrophobicContact CB-CG1 4.5Å; E45-I87 HydrophobicContact CG-CD1 3.86Å; E45-I87 HydrophobicContact CG-CG1 3.72Å; Q46-I87 PolarHBondContact N-O 2.91Å; I87-E94 WeakPolarHBondContact CA-OE2 3.32Å; I87-E94 HydrophobicContact CB-CG 4.18Å; I87-E94 HydrophobicContact CG2-CG 3.84Å; I87-A95 HydrophobicContact CD1-CB 3.64Å; I87-K98 HydrophobicContact CG2-CB 4.37Å; I87-K98 HydrophobicContact CG2-CG 3.84Å; I87-P113 HydrophobicContact CD1-CB 3.93Å; I87-P113 HydrophobicContact CD1-CG 4.35Å
88	N	84.3	Confident	86.9	Confident	81 Å²	81	57.5 Å²	57.5	43%	0.433	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	149.9	172.1	-70.8	-25.9	0	0	0	111.9	D91 E94	N88-D91 HydrophobicContact CB-CB 4.43Å; N88-D91 PolarHBondContact O-N 2.96Å; N88-E94 PolarHBondContact N-OE2 2.73Å
89	I	76.3	Confident	87.3	Confident	53 Å²	53	56.4 Å²	56.4	27%	0.272	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	141.2	174	-49.7	174.1	0	0	0	108.4	E45 T47 D91	E45-I89 HydrophobicContact CB-CG1 4.17Å; T47-I89 HydrophobicContact CG2-CD1 3.74Å; I89-D91 VanDerWaalsContact C-N 3.26Å; I89-D91 PolarHBondContact O-N 3.16Å
90	Y	80.8	Confident	87.6	Confident	170 Å²	170	55.3 Å²	55.3	67%	0.667	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	-3.4	-179.1	-48.8	-75.9	0	0	0	116.5	S92 H115	Y90-S92 PolarHBondContact O-N 3.48Å; Y90-H115 AromaticContact CD1-CE1 3.44Å; Y90-H115 VanDerWaalsContact CD1-CE1 3.44Å; Y90-H115 WeakPolarHBondContact CD1-CE1 3.39Å; Y90-H115 AromaticContact CD1-ND1 3.91Å; Y90-H115 AromaticContact CD1-NE2 3.55Å; Y90-H115 AromaticContact CE1-CD2 3.71Å; Y90-H115 AromaticContact CE1-CE1 3.57Å; Y90-H115 AromaticContact CE1-NE2 3.17Å; Y90-H115 WeakPolarHBondContact CE1-NE2 3.33Å
91	D	86.4	Confident	87.9	Confident	59 Å²	59	58.1 Å²	58.1	32%	0.316	27%	0.274	S	S	.	.			trans	-93	89.7	177.9	-165.6	-18.9	0	0	0	112.6	N88 I89 F93 E94 A95	N88-D91 HydrophobicContact CB-CB 4.43Å; N88-D91 PolarHBondContact O-N 2.96Å; I89-D91 VanDerWaalsContact C-N 3.26Å; I89-D91 PolarHBondContact O-N 3.16Å; D91-F93 VanDerWaalsContact C-N 3.28Å; D91-F93 PolarHBondContact O-N 2.83Å; D91-F93 WeakPolarHBondContact OD1-CB 3.49Å; D91-F93 PolarHBondContact OD1-N 3.09Å; D91-E94 HydrophobicContact CB-CB 4.1Å; D91-E94 PolarHBondContact OD1-N 3.47Å; D91-A95 PolarHBondContact O-N 3.39Å
92	S	89.3	Confident	88	Confident	50 Å²	50	56.2 Å²	56.2	35%	0.35	26%	0.262	S	S	.	.	H	α-helix	trans	-69.3	-23.7	176.6	57.4	0	0	0	0	113.9	Y90 S96	Y90-S92 PolarHBondContact O-N 3.48Å; S92-S96 PolarHBondContact O-N 3.46Å; S92-S96 VanDerWaalsContact O-N 3.1Å; S92-S96 PolarHBondContact O-OG 3.47Å
93	F	89.3	Confident	88	Confident	149 Å²	149	52.5 Å²	52.5	65%	0.654	25%	0.248	S	C	*	.	H	α-helix	trans	-75.2	-43.7	-179.8	176.6	-100.8	0	0	0	110.4	D91 A95 S96 R97	D91-F93 VanDerWaalsContact C-N 3.28Å; D91-F93 PolarHBondContact O-N 2.83Å; D91-F93 WeakPolarHBondContact OD1-CB 3.49Å; D91-F93 PolarHBondContact OD1-N 3.09Å; F93-A95 VanDerWaalsContact C-N 3.33Å; F93-A95 PolarHBondContact O-N 3.31Å; F93-S96 WeakPolarHBondContact O-CB 3.44Å; F93-S96 PolarHBondContact O-N 3.25Å; F93-R97 PolarHBondContact O-N 3.23Å
94	E	89.8	Confident	88	Confident	34 Å²	34	52.7 Å²	52.7	16%	0.159	25%	0.252	C	S	.	.	H	α-helix	trans	-60	-45.2	173.6	-171.8	172.5	-144.6	0	0	111.3	I87 N88 D91 S96 R97 K98	I87-E94 WeakPolarHBondContact CA-OE2 3.32Å; I87-E94 HydrophobicContact CB-CG 4.18Å; I87-E94 HydrophobicContact CG2-CG 3.84Å; N88-E94 PolarHBondContact N-OE2 2.73Å; D91-E94 HydrophobicContact CB-CB 4.1Å; D91-E94 PolarHBondContact OD1-N 3.47Å; E94-S96 VanDerWaalsContact C-N 3.29Å; E94-S96 PolarHBondContact O-N 3.49Å; E94-R97 PolarHBondContact O-N 3.07Å; E94-R97 IonicContact OE1-NH2 3.65Å; E94-K98 HydrophobicContact CG-CG 4.37Å; E94-K98 WeakPolarHBondContact O-CG 3.43Å; E94-K98 PolarHBondContact O-N 3.28Å
95	A	89.7	Confident	88	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-55.1	-44.3	174.6	0	0	0	0	0	112.4	I87 D91 F93 K98 A99 P113 V122	I87-A95 HydrophobicContact CD1-CB 3.64Å; D91-A95 PolarHBondContact O-N 3.39Å; F93-A95 VanDerWaalsContact C-N 3.33Å; F93-A95 PolarHBondContact O-N 3.31Å; A95-K98 PolarHBondContact O-N 2.95Å; A95-A99 WeakPolarHBondContact O-CB 3.21Å; A95-A99 PolarHBondContact O-N 3.43Å; A95-P113 HydrophobicContact CB-CG 4.48Å; A95-V122 HydrophobicContact CB-CG2 4.12Å
96	S	91	Very high	87.8	Confident	28 Å²	28	55 Å²	55	20%	0.196	27%	0.267	C	S	.	.	H	α-helix	trans	-63.7	-45.4	178.7	-59	0	0	0	0	112.2	S92 F93 E94 A99 C100 A121	S92-S96 PolarHBondContact O-N 3.46Å; S92-S96 VanDerWaalsContact O-N 3.1Å; S92-S96 PolarHBondContact O-OG 3.47Å; F93-S96 WeakPolarHBondContact O-CB 3.44Å; F93-S96 PolarHBondContact O-N 3.25Å; E94-S96 VanDerWaalsContact C-N 3.29Å; E94-S96 PolarHBondContact O-N 3.49Å; S96-A99 PolarHBondContact O-N 3.37Å; S96-C100 PolarHBondContact O-N 2.98Å; S96-C100 PolarHBondContact O-SG 2.95Å; S96-A121 VanDerWaalsContact OG-CB 3.3Å; S96-A121 WeakPolarHBondContact OG-CB 3.48Å
97	R	91.6	Very high	87.8	Confident	126 Å²	126	50.2 Å²	50.2	48%	0.475	25%	0.25	S	C	.	.	H	α-helix	trans	-61.2	-46.6	177.7	-175.6	-179.8	65.5	-178.2	-2.7	111	F93 E94 A99 C100 D101	F93-R97 PolarHBondContact O-N 3.23Å; E94-R97 PolarHBondContact O-N 3.07Å; E94-R97 IonicContact OE1-NH2 3.65Å; R97-A99 PolarHBondContact O-N 3.24Å; R97-C100 WeakPolarHBondContact O-CB 3.46Å; R97-C100 PolarHBondContact O-N 3.16Å; R97-C100 VanDerWaalsContact O-N 3.14Å; R97-D101 PolarHBondContact O-N 3.46Å
98	K	91.1	Very high	87.7	Confident	42 Å²	42	50.2 Å²	50.2	18%	0.183	25%	0.25	C	C	.	.	H	α-helix	trans	-65.2	-37.4	179.1	-67.9	-52.4	-164.3	163.7	0	113	Q85 I87 E94 A95 C100 D101 Q102	Q85-K98 HydrophobicContact CB-CB 3.98Å; Q85-K98 HydrophobicContact CB-CD 4.24Å; Q85-K98 HydrophobicContact CB-CG 4.12Å; Q85-K98 HydrophobicContact CG-CB 4.14Å; Q85-K98 HydrophobicContact CG-CD 4.19Å; Q85-K98 HydrophobicContact CG-CG 4.46Å; I87-K98 HydrophobicContact CG2-CB 4.37Å; I87-K98 HydrophobicContact CG2-CG 3.84Å; E94-K98 HydrophobicContact CG-CG 4.37Å; E94-K98 WeakPolarHBondContact O-CG 3.43Å; E94-K98 PolarHBondContact O-N 3.28Å; A95-K98 PolarHBondContact O-N 2.95Å; K98-C100 VanDerWaalsContact C-N 3.3Å; K98-C100 PolarHBondContact O-N 3.39Å; K98-D101 PolarHBondContact O-N 3.37Å; K98-Q102 PolarHBondContact O-N 3.4Å
99	A	90.5	Very high	87.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-41.3	171.6	0	0	0	0	0	111.4	I43 A95 S96 R97 Q102 L103 V122	I43-A99 HydrophobicContact CD1-CB 3.84Å; A95-A99 WeakPolarHBondContact O-CB 3.21Å; A95-A99 PolarHBondContact O-N 3.43Å; S96-A99 PolarHBondContact O-N 3.37Å; R97-A99 PolarHBondContact O-N 3.24Å; A99-Q102 PolarHBondContact O-N 2.98Å; A99-L103 WeakPolarHBondContact O-CB 3.37Å; A99-L103 WeakPolarHBondContact O-CD1 3.47Å; A99-L103 WeakPolarHBondContact O-CG 3.36Å; A99-L103 PolarHBondContact O-N 3.18Å; A99-V122 HydrophobicContact CB-CG2 4.26Å
100	C	90.7	Very high	88.7	Confident	29 Å²	29	43.9 Å²	43.9	20%	0.196	22%	0.216	C	C	.	.	H	α-helix	trans	-66.7	-37.5	176.6	-66.4	0	0	0	0	113.6	S96 R97 K98 Q102 L103 S104 C350	S96-C100 PolarHBondContact O-N 2.98Å; S96-C100 PolarHBondContact O-SG 2.95Å; R97-C100 WeakPolarHBondContact O-CB 3.46Å; R97-C100 PolarHBondContact O-N 3.16Å; R97-C100 VanDerWaalsContact O-N 3.14Å; K98-C100 VanDerWaalsContact C-N 3.3Å; K98-C100 PolarHBondContact O-N 3.39Å; C100-Q102 VanDerWaalsContact C-N 3.34Å; C100-L103 PolarHBondContact O-N 3.18Å; C100-S104 WeakPolarHBondContact O-CB 3.41Å; C100-S104 PolarHBondContact O-N 3.4Å; C100-C350 WeakPolarHBondContact CA-SG 3.46Å; C100-C350 HydrophobicContact CB-CB 3.84Å; C100-C350 WeakPolarHBondContact CB-SG 3.49Å; C100-C350 WeakPolarHBondContact SG-CB 3.46Å; C100-C350 CovalentContact SG-SG 2.03Å; C100-C350 PolarHBondContact SG-SG 2.47Å
101	D	90.9	Very high	89.2	Confident	65 Å²	65	36 Å²	36	35%	0.348	19%	0.186	S	C	.	.	H	α-helix	trans	-60.3	-45.8	172.9	-64.1	-23.5	0	0	0	110.3	R97 K98 S104 L105	R97-D101 PolarHBondContact O-N 3.46Å; K98-D101 PolarHBondContact O-N 3.37Å; D101-S104 WeakPolarHBondContact O-CB 3.5Å; D101-S104 PolarHBondContact O-N 3.2Å; D101-S104 PolarHBondContact O-OG 3.04Å; D101-L105 PolarHBondContact O-N 3.02Å; D101-L105 VanDerWaalsContact O-N 3.17Å
102	Q	89.6	Confident	89.1	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.8	-40.3	177	-73.5	-174.8	-24.2	0	0	113.2	G42 D83 Q85 K98 A99 C100 S104 L105 G106 V107	G42-Q102 PolarHBondContact O-NE2 3.45Å; G42-Q102 VanDerWaalsContact O-NE2 3.08Å; D83-Q102 PolarHBondContact O-NE2 3.17Å; D83-Q102 WeakPolarHBondContact OD2-CG 3.47Å; D83-Q102 PolarHBondContact OD2-NE2 2.79Å; Q85-Q102 HydrophobicContact CG-CG 4.11Å; K98-Q102 PolarHBondContact O-N 3.4Å; A99-Q102 PolarHBondContact O-N 2.98Å; C100-Q102 VanDerWaalsContact C-N 3.34Å; Q102-S104 VanDerWaalsContact C-N 3.26Å; Q102-S104 PolarHBondContact O-N 3.15Å; Q102-L105 WeakPolarHBondContact O-CB 3.37Å; Q102-L105 PolarHBondContact O-N 2.97Å; Q102-L105 VanDerWaalsContact O-N 3.16Å; Q102-G106 PolarHBondContact O-N 3.46Å; Q102-G106 VanDerWaalsContact O-N 3.14Å; Q102-V107 HydrophobicContact CB-CG1 4.17Å; Q102-V107 HydrophobicContact CB-CG2 4.17Å
103	L	88.9	Confident	89	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-64.8	-33.3	175.4	-71	166.3	0	0	0	112.1	A99 C100 L105 G106 V107 I110 I125 L129 V131 L348	A99-L103 WeakPolarHBondContact O-CB 3.37Å; A99-L103 WeakPolarHBondContact O-CD1 3.47Å; A99-L103 WeakPolarHBondContact O-CG 3.36Å; A99-L103 PolarHBondContact O-N 3.18Å; C100-L103 PolarHBondContact O-N 3.18Å; L103-L105 VanDerWaalsContact C-N 3.31Å; L103-G106 PolarHBondContact O-N 2.98Å; L103-G106 VanDerWaalsContact O-N 3.16Å; L103-V107 HydrophobicContact CD2-CG2 4.43Å; L103-I110 HydrophobicContact CD1-CD1 4.44Å; L103-I110 HydrophobicContact CD2-CD1 4Å; L103-I110 HydrophobicContact CG-CD1 4.02Å; L103-I125 HydrophobicContact CD1-CG2 3.68Å; L103-L129 HydrophobicContact CD1-CD1 3.6Å; L103-V131 HydrophobicContact CD2-CB 4.18Å; L103-V131 HydrophobicContact CD2-CG1 4.1Å; L103-V131 HydrophobicContact CD2-CG2 3.66Å; L103-L348 CarbonylContact C-O 3.51Å; L103-L348 VanDerWaalsContact C-O 3.3Å; L103-L348 HydrophobicContact CB-CB 4.41Å; L103-L348 HydrophobicContact CD2-CD1 4.33Å; L103-L348 PolarHBondContact O-N 2.86Å
104	S	87.7	Confident	88.5	Confident	43 Å²	43	25.2 Å²	25.2	30%	0.301	13%	0.134	S	C	.	.	H	α-helix	trans	-68.7	-29.4	174.5	83.6	0	0	0	0	112.9	C100 D101 Q102 G106 S347 L348	C100-S104 WeakPolarHBondContact O-CB 3.41Å; C100-S104 PolarHBondContact O-N 3.4Å; D101-S104 WeakPolarHBondContact O-CB 3.5Å; D101-S104 PolarHBondContact O-N 3.2Å; D101-S104 PolarHBondContact O-OG 3.04Å; Q102-S104 VanDerWaalsContact C-N 3.26Å; Q102-S104 PolarHBondContact O-N 3.15Å; S104-G106 VanDerWaalsContact C-N 3.33Å; S104-S347 VanDerWaalsContact O-CB 3.3Å; S104-S347 WeakPolarHBondContact O-CB 3.41Å; S104-S347 PolarHBondContact O-OG 3.31Å; S104-L348 VanDerWaalsContact CA-O 3.28Å; S104-L348 WeakPolarHBondContact CA-O 3.45Å; S104-L348 PolarHBondContact N-O 2.59Å
105	L	87.9	Confident	88.2	Confident	109 Å²	109	25.9 Å²	25.9	57%	0.571	14%	0.137	S	C	*	.	H	α-helix	trans	-72.9	-27.5	171.2	-66.8	169.4	0	0	0	112.1	D101 Q102 L103	D101-L105 PolarHBondContact O-N 3.02Å; D101-L105 VanDerWaalsContact O-N 3.17Å; Q102-L105 WeakPolarHBondContact O-CB 3.37Å; Q102-L105 PolarHBondContact O-N 2.97Å; Q102-L105 VanDerWaalsContact O-N 3.16Å; L103-L105 VanDerWaalsContact C-N 3.31Å
106	G	83.8	Confident	87.8	Confident	7 Å²	7	28.7 Å²	28.7	7%	0.072	16%	0.157	C	C	.	.			trans	87.9	72.6	-178.1	0	0	0	0	0	111.8	Q102 L103 S104 V345	Q102-G106 PolarHBondContact O-N 3.46Å; Q102-G106 VanDerWaalsContact O-N 3.14Å; L103-G106 PolarHBondContact O-N 2.98Å; L103-G106 VanDerWaalsContact O-N 3.16Å; S104-G106 VanDerWaalsContact C-N 3.33Å; G106-V345 WeakPolarHBondContact O-CG1 3.38Å
107	V	88.2	Confident	87.5	Confident	8 Å²	8	29.1 Å²	29.1	5%	0.048	16%	0.16	C	C	.	.			trans	-92.7	147.5	175.6	-65.4	0	0	0	0	112.1	F39 Q102 L103 I110	F39-V107 CarbonylContact O-C 3.25Å; F39-V107 VanDerWaalsContact O-CA 3.25Å; F39-V107 WeakPolarHBondContact O-CA 3.27Å; Q102-V107 HydrophobicContact CB-CG1 4.17Å; Q102-V107 HydrophobicContact CB-CG2 4.17Å; L103-V107 HydrophobicContact CD2-CG2 4.43Å; V107-I110 HydrophobicContact CG2-CD1 4.25Å; V107-I110 HydrophobicContact CG2-CG1 3.79Å
108	V	84.2	Confident	87.4	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.006	14%	0.137	C	C	.	.	S	Bend	trans	-81.9	-27.1	179.7	-61.8	0	0	0	0	113.6	C38 F39 V345 F362	C38-V108 VanDerWaalsContact SG-CG2 3.53Å; F39-V108 WeakPolarHBondContact O-CG2 3.42Å; F39-V108 PolarHBondContact O-N 3.11Å; V108-V345 HydrophobicContact CG1-CG1 4.2Å; V108-V345 HydrophobicContact CG1-CG2 3.55Å; V108-F362 HydrophobicContact CB-CE1 4.5Å
109	A	89.2	Confident	87.2	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.13	C	C	.	.			trans	-157.4	150.2	179.7	0	0	0	0	0	109.1	G41 F111 P132 V333	G41-A109 PolarHBondContact N-O 2.9Å; A109-F111 HydrophobicContact CB-CE2 4.23Å; A109-P132 HydrophobicContact CB-CB 4.36Å; A109-V333 HydrophobicContact CB-CG1 4.23Å
110	I	92.1	Very high	87.1	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.7	175.5	-61.6	176.1	0	0	0	108.7	G41 I43 L103 V107 V122 V131 P132 I134	G41-I110 CarbonylContact O-C 3.59Å; G41-I110 WeakPolarHBondContact O-CA 3.34Å; I43-I110 HydrophobicContact CD1-CG2 4.05Å; I43-I110 HydrophobicContact CG1-CG2 4.34Å; L103-I110 HydrophobicContact CD1-CD1 4.44Å; L103-I110 HydrophobicContact CD2-CD1 4Å; L103-I110 HydrophobicContact CG-CD1 4.02Å; V107-I110 HydrophobicContact CG2-CD1 4.25Å; V107-I110 HydrophobicContact CG2-CG1 3.79Å; I110-V122 HydrophobicContact CG2-CG1 4.01Å; I110-V131 HydrophobicContact CD1-CG1 4.38Å; I110-V131 HydrophobicContact CG1-CG1 4.34Å; I110-P132 PolarHBondContact N-O 3.08Å; I110-I134 PolarHBondContact O-N 3.33Å
111	F	91.3	Very high	87.1	Confident	5 Å²	5	25 Å²	25	2%	0.022	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135.8	177.1	-65.4	-102.2	0	0	0	110.6	G41 I43 F61 A109 I134 A329 V330 V333	G41-F111 PolarHBondContact O-N 3.03Å; I43-F111 PolarHBondContact N-O 2.87Å; F61-F111 HydrophobicContact CD2-CG 4.49Å; F61-F111 HydrophobicContact CE2-CB 4.43Å; F61-F111 HydrophobicContact CE2-CD1 4.27Å; F61-F111 AromaticContact CE2-CD2 3.72Å; F61-F111 HydrophobicContact CE2-CD2 3.72Å; F61-F111 HydrophobicContact CE2-CE1 4.45Å; F61-F111 AromaticContact CE2-CE2 3.95Å; F61-F111 HydrophobicContact CE2-CE2 3.95Å; F61-F111 AromaticContact CE2-CG 3.9Å; F61-F111 HydrophobicContact CE2-CG 3.9Å; F61-F111 HydrophobicContact CE2-CZ 4.29Å; F61-F111 HydrophobicContact CZ-CD2 4.26Å; A109-F111 HydrophobicContact CB-CE2 4.23Å; F111-I134 HydrophobicContact CD1-CB 3.87Å; F111-I134 HydrophobicContact CD1-CG1 4.46Å; F111-I134 HydrophobicContact CD1-CG2 3.91Å; F111-I134 HydrophobicContact CE1-CB 4.1Å; F111-I134 HydrophobicContact CE1-CG1 4.29Å; F111-I134 HydrophobicContact CE1-CG2 3.97Å; F111-I134 HydrophobicContact CG-CB 4.37Å; F111-A329 HydrophobicContact CD1-CB 4.07Å; F111-A329 HydrophobicContact CE1-CB 3.71Å; F111-V330 HydrophobicContact CE1-CG2 4.17Å; F111-V330 HydrophobicContact CZ-CG2 4.32Å; F111-V333 HydrophobicContact CE1-CG2 4.16Å; F111-V333 HydrophobicContact CE2-CG2 4.46Å; F111-V333 HydrophobicContact CZ-CB 4.02Å; F111-V333 HydrophobicContact CZ-CG1 4.4Å; F111-V333 HydrophobicContact CZ-CG2 3.62Å
112	G	84.2	Confident	87.1	Confident	7 Å²	7	21.9 Å²	21.9	7%	0.072	13%	0.134	C	C	.	.			trans	71.9	-178.3	-179	0	0	0	0	0	112.8	H133 I134	G112-H133 PolarHBondContact O-CD2 3.4Å; G112-H133 PolarHBondContact O-NE2 3Å; G112-I134 PolarHBondContact N-O 3.44Å; G112-I134 VanDerWaalsContact N-O 3.11Å
113	P	86.6	Confident	87.1	Confident	7 Å²	7	22 Å²	22	5%	0.045	14%	0.135	C	C	.	.			cis	-88.9	173.1	12.8	33	-37	0	0	0	115.4	I43 E45 I87 A95 S118 V122	I43-P113 HydrophobicContact CG2-CB 4.3Å; E45-P113 HydrophobicContact CG-CB 4.27Å; I87-P113 HydrophobicContact CD1-CB 3.93Å; I87-P113 HydrophobicContact CD1-CG 4.35Å; A95-P113 HydrophobicContact CB-CG 4.48Å; P113-S118 VanDerWaalsContact CG-C 3.49Å; P113-V122 HydrophobicContact CG-CG2 4.23Å
114	S	78.7	Confident	87.1	Confident	17 Å²	17	25.7 Å²	25.7	12%	0.119	16%	0.16	C	C	.	.	S	Bend	trans	-82.7	-34	-168.3	-36.9	0	0	0	0	113.8	E57	E57-S114 PolarHBondContact OE2-OG 3.27Å
115	H	83.8	Confident	87.3	Confident	49 Å²	49	25 Å²	25	23%	0.227	15%	0.153	C	C	.	.	S	Bend	trans	-80	145.9	176.4	-166	-96.4	0	0	0	112.8	E45 Y90 S117 S118 S119	E45-H115 WeakPolarHBondContact OE1-CB 3.45Å; E45-H115 PolarHBondContact OE1-N 3.25Å; E45-H115 WeakPolarHBondContact OE2-CB 3.47Å; E45-H115 PolarHBondContact OE2-N 3.13Å; Y90-H115 AromaticContact CD1-CE1 3.44Å; Y90-H115 VanDerWaalsContact CD1-CE1 3.44Å; Y90-H115 WeakPolarHBondContact CD1-CE1 3.39Å; Y90-H115 AromaticContact CD1-ND1 3.91Å; Y90-H115 AromaticContact CD1-NE2 3.55Å; Y90-H115 AromaticContact CE1-CD2 3.71Å; Y90-H115 AromaticContact CE1-CE1 3.57Å; Y90-H115 AromaticContact CE1-NE2 3.17Å; Y90-H115 WeakPolarHBondContact CE1-NE2 3.33Å; H115-S117 PolarHBondContact CE1-OG 2.86Å; H115-S117 PolarHBondContact ND1-N 3.19Å; H115-S117 PolarHBondContact ND1-OG 2.99Å; H115-S117 PolarHBondContact O-N 2.84Å; H115-S118 PolarHBondContact O-N 2.94Å; H115-S119 WeakPolarHBondContact O-CB 3.32Å; H115-S119 PolarHBondContact O-N 3.46Å
116	S	82.6	Confident	87.4	Confident	59 Å²	59	19.9 Å²	19.9	41%	0.413	13%	0.126	S	C	.	.	H	α-helix	trans	-62.6	-39.1	-175	62.3	0	0	0	0	113.8	N120	S116-N120 VanDerWaalsContact O-CG 3.23Å; S116-N120 PolarHBondContact O-N 2.82Å; S116-N120 PolarHBondContact O-ND2 3Å; S116-N120 VanDerWaalsContact O-ND2 3.13Å
117	S	84.3	Confident	87.7	Confident	36 Å²	36	21.5 Å²	21.5	25%	0.252	13%	0.133	S	C	.	.	H	α-helix	trans	-66.7	-47.5	179.5	61	0	0	0	0	112.4	H115 S119 N120 A121	H115-S117 PolarHBondContact CE1-OG 2.86Å; H115-S117 PolarHBondContact ND1-N 3.19Å; H115-S117 PolarHBondContact ND1-OG 2.99Å; H115-S117 PolarHBondContact O-N 2.84Å; S117-S119 VanDerWaalsContact C-N 3.34Å; S117-N120 WeakPolarHBondContact O-CB 3.44Å; S117-N120 PolarHBondContact O-N 3.32Å; S117-A121 PolarHBondContact O-N 3.21Å
118	S	88.2	Confident	87.8	Confident	0 Å²	0	24 Å²	24	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.7	-43.4	176.6	-45.5	0	0	0	0	110.6	E45 P113 H115 N120 A121 V122	E45-S118 WeakPolarHBondContact OE1-CB 3.4Å; E45-S118 PolarHBondContact OE1-OG 3.09Å; P113-S118 VanDerWaalsContact CG-C 3.49Å; H115-S118 PolarHBondContact O-N 2.94Å; S118-N120 VanDerWaalsContact C-N 3.34Å; S118-N120 PolarHBondContact O-N 3.29Å; S118-A121 PolarHBondContact O-N 3.35Å; S118-V122 PolarHBondContact O-N 3.26Å
119	S	88.6	Confident	88.1	Confident	6 Å²	6	24.1 Å²	24.1	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-65.1	-34.3	179	-177.1	0	0	0	0	112.6	H115 S117 Q123 H133	H115-S119 WeakPolarHBondContact O-CB 3.32Å; H115-S119 PolarHBondContact O-N 3.46Å; S117-S119 VanDerWaalsContact C-N 3.34Å; S119-Q123 WeakPolarHBondContact O-CB 3.2Å; S119-Q123 PolarHBondContact O-N 3.3Å; S119-H133 PolarHBondContact OG-CE1 3.04Å
120	N	88.2	Confident	88.1	Confident	83 Å²	83	27.2 Å²	27.2	44%	0.444	17%	0.17	S	C	.	.	H	α-helix	trans	-60	-44.8	173.8	-80.5	-35	0	0	0	112.6	S116 S117 S118 Q123 S124 K139	S116-N120 VanDerWaalsContact O-CG 3.23Å; S116-N120 PolarHBondContact O-N 2.82Å; S116-N120 PolarHBondContact O-ND2 3Å; S116-N120 VanDerWaalsContact O-ND2 3.13Å; S117-N120 WeakPolarHBondContact O-CB 3.44Å; S117-N120 PolarHBondContact O-N 3.32Å; S118-N120 VanDerWaalsContact C-N 3.34Å; S118-N120 PolarHBondContact O-N 3.29Å; N120-Q123 PolarHBondContact O-N 3.31Å; N120-S124 PolarHBondContact O-N 3.27Å; N120-K139 WeakPolarHBondContact OD1-CE 3.21Å; N120-K139 PolarHBondContact OD1-NZ 3.46Å
121	A	89.6	Confident	88	Confident	22 Å²	22	27.2 Å²	27.2	18%	0.182	17%	0.17	C	C	.	.	H	α-helix	trans	-68.3	-44.3	-178.1	0	0	0	0	0	111.5	S96 S117 S118 S124 I125	S96-A121 VanDerWaalsContact OG-CB 3.3Å; S96-A121 WeakPolarHBondContact OG-CB 3.48Å; S117-A121 PolarHBondContact O-N 3.21Å; S118-A121 PolarHBondContact O-N 3.35Å; A121-S124 PolarHBondContact O-N 3.48Å; A121-I125 WeakPolarHBondContact O-CG1 3.29Å; A121-I125 PolarHBondContact O-N 3.28Å
122	V	90.4	Very high	88.1	Confident	0 Å²	0	27 Å²	27	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.3	-42.5	174.9	176.7	0	0	0	0	111.2	I43 A95 A99 I110 P113 S118 S124 I125 C126	I43-V122 HydrophobicContact CD1-CG2 4.3Å; A95-V122 HydrophobicContact CB-CG2 4.12Å; A99-V122 HydrophobicContact CB-CG2 4.26Å; I110-V122 HydrophobicContact CG2-CG1 4.01Å; P113-V122 HydrophobicContact CG-CG2 4.23Å; S118-V122 PolarHBondContact O-N 3.26Å; V122-S124 VanDerWaalsContact C-N 3.32Å; V122-S124 PolarHBondContact O-N 3.1Å; V122-I125 PolarHBondContact O-N 2.92Å; V122-C126 WeakPolarHBondContact O-CB 3.4Å; V122-C126 PolarHBondContact O-N 3.37Å; V122-C126 PolarHBondContact O-SG 3.03Å
123	Q	90.4	Very high	88.5	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.009	17%	0.166	C	C	.	.	H	α-helix	trans	-57.9	-44.3	176.7	-178.4	57.1	44.3	0	0	112.3	S119 N120 I125 C126 N127 H133 Q135 D147 F149	S119-Q123 WeakPolarHBondContact O-CB 3.2Å; S119-Q123 PolarHBondContact O-N 3.3Å; N120-Q123 PolarHBondContact O-N 3.31Å; Q123-I125 VanDerWaalsContact C-N 3.34Å; Q123-I125 PolarHBondContact O-N 2.86Å; Q123-C126 PolarHBondContact O-N 2.96Å; Q123-N127 VanDerWaalsContact O-CB 3.31Å; Q123-N127 WeakPolarHBondContact O-CB 3.26Å; Q123-N127 PolarHBondContact O-N 2.9Å; Q123-H133 PolarHBondContact OE1-ND1 2.91Å; Q123-Q135 VanDerWaalsContact OE1-NE2 3.15Å; Q123-D147 WeakPolarHBondContact CG-OD2 3.12Å; Q123-F149 PolarHBondContact NE2-O 3.37Å
124	S	89.9	Confident	88.7	Confident	78 Å²	78	26.4 Å²	26.4	55%	0.545	16%	0.164	S	C	.	.	H	α-helix	trans	-61.8	-42.8	179.8	-174.6	0	0	0	0	111.7	N120 A121 V122 A128	N120-S124 PolarHBondContact O-N 3.27Å; A121-S124 PolarHBondContact O-N 3.48Å; V122-S124 VanDerWaalsContact C-N 3.32Å; V122-S124 PolarHBondContact O-N 3.1Å; S124-A128 WeakPolarHBondContact O-CB 3.47Å; S124-A128 PolarHBondContact O-N 3.32Å
125	I	90.4	Very high	89.3	Confident	30 Å²	30	25.9 Å²	25.9	15%	0.154	16%	0.16	C	C	.	.	H	α-helix	trans	-66.1	-47.2	177.3	-63.9	167.5	0	0	0	110.8	L103 A121 V122 Q123 N127 A128 L129	L103-I125 HydrophobicContact CD1-CG2 3.68Å; A121-I125 WeakPolarHBondContact O-CG1 3.29Å; A121-I125 PolarHBondContact O-N 3.28Å; V122-I125 PolarHBondContact O-N 2.92Å; Q123-I125 VanDerWaalsContact C-N 3.34Å; Q123-I125 PolarHBondContact O-N 2.86Å; I125-N127 VanDerWaalsContact C-N 3.33Å; I125-N127 PolarHBondContact O-N 2.93Å; I125-A128 PolarHBondContact O-N 3.4Å; I125-L129 HydrophobicContact CG2-CD1 3.81Å; I125-L129 PolarHBondContact O-N 3.21Å
126	C	90.8	Very high	89.5	Confident	0 Å²	0	24 Å²	24	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.6	-42.2	178.4	-75.7	0	0	0	0	112.1	V122 Q123 L129 E130 V131 H133	V122-C126 WeakPolarHBondContact O-CB 3.4Å; V122-C126 PolarHBondContact O-N 3.37Å; V122-C126 PolarHBondContact O-SG 3.03Å; Q123-C126 PolarHBondContact O-N 2.96Å; C126-L129 PolarHBondContact O-N 3.46Å; C126-E130 PolarHBondContact O-N 3.44Å; C126-V131 VanDerWaalsContact CB-O 3.26Å; C126-V131 WeakPolarHBondContact CB-O 3.43Å; C126-V131 PolarHBondContact O-N 3.03Å; C126-H133 HydrophobicContact CB-CB 3.85Å
127	N	90.4	Very high	89.6	Confident	41 Å²	41	26.3 Å²	26.3	22%	0.219	15%	0.151	C	C	.	.	H	α-helix	trans	-66.4	-39.3	176.5	-159.5	37.3	0	0	0	112	Q123 I125 D147 T148 F149	Q123-N127 VanDerWaalsContact O-CB 3.31Å; Q123-N127 WeakPolarHBondContact O-CB 3.26Å; Q123-N127 PolarHBondContact O-N 2.9Å; I125-N127 VanDerWaalsContact C-N 3.33Å; I125-N127 PolarHBondContact O-N 2.93Å; N127-D147 PolarHBondContact ND2-OD1 3.36Å; N127-T148 PolarHBondContact OD1-N 2.84Å; N127-T148 PolarHBondContact OD1-OG1 2.94Å; N127-F149 WeakPolarHBondContact OD1-CD2 3.31Å; N127-F149 PolarHBondContact OD1-N 3.28Å
128	A	89.5	Confident	89.5	Confident	60 Å²	60	27.2 Å²	27.2	50%	0.496	15%	0.149	S	C	.	.	H	α-helix	trans	-71.4	-30.4	179	0	0	0	0	0	114	S124 I125	S124-A128 WeakPolarHBondContact O-CB 3.47Å; S124-A128 PolarHBondContact O-N 3.32Å; I125-A128 PolarHBondContact O-N 3.4Å
129	L	89.9	Confident	89.1	Confident	5 Å²	5	27.9 Å²	27.9	3%	0.026	15%	0.152	C	C	.	.	H	α-helix	trans	-102.9	4.7	-177.4	-64.5	172.6	0	0	0	113.7	L103 I125 C126 V131 L348 P355 W356	L103-L129 HydrophobicContact CD1-CD1 3.6Å; I125-L129 HydrophobicContact CG2-CD1 3.81Å; I125-L129 PolarHBondContact O-N 3.21Å; C126-L129 PolarHBondContact O-N 3.46Å; L129-V131 VanDerWaalsContact C-N 3.31Å; L129-V131 HydrophobicContact CB-CG2 4.32Å; L129-V131 PolarHBondContact O-N 3.23Å; L129-L348 HydrophobicContact CB-CD1 4.45Å; L129-P355 WeakPolarHBondContact O-CA 3.24Å; L129-W356 PolarHBondContact O-N 2.96Å
130	E	90.3	Very high	88.4	Confident	64 Å²	64	32.7 Å²	32.7	30%	0.299	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	39.1	-177.4	-57.2	-172.3	169.3	0	0	113.3	C126 F149 P355 G359	C126-E130 PolarHBondContact O-N 3.44Å; E130-F149 HydrophobicContact CB-CD1 4.35Å; E130-F149 HydrophobicContact CB-CE1 3.69Å; E130-F149 HydrophobicContact CB-CE2 3.99Å; E130-F149 HydrophobicContact CB-CZ 3.49Å; E130-F149 VanDerWaalsContact CB-CZ 3.49Å; E130-F149 HydrophobicContact CG-CE1 4.22Å; E130-F149 HydrophobicContact CG-CE2 3.65Å; E130-F149 HydrophobicContact CG-CZ 3.48Å; E130-F149 VanDerWaalsContact CG-CZ 3.48Å; E130-P355 HydrophobicContact CB-CB 4.01Å; E130-P355 HydrophobicContact CG-CB 3.56Å; E130-G359 WeakPolarHBondContact O-CA 3.26Å
131	V	90.5	Very high	87.6	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.006	16%	0.162	C	C	.	.			trans	-105.2	133.7	177.6	178.5	0	0	0	0	110	L103 I110 C126 L129 H133 L348	L103-V131 HydrophobicContact CD2-CB 4.18Å; L103-V131 HydrophobicContact CD2-CG1 4.1Å; L103-V131 HydrophobicContact CD2-CG2 3.66Å; I110-V131 HydrophobicContact CD1-CG1 4.38Å; I110-V131 HydrophobicContact CG1-CG1 4.34Å; C126-V131 VanDerWaalsContact CB-O 3.26Å; C126-V131 WeakPolarHBondContact CB-O 3.43Å; C126-V131 PolarHBondContact O-N 3.03Å; L129-V131 VanDerWaalsContact C-N 3.31Å; L129-V131 HydrophobicContact CB-CG2 4.32Å; L129-V131 PolarHBondContact O-N 3.23Å; V131-H133 PolarHBondContact O-N 3.48Å; V131-L348 HydrophobicContact CG2-CD1 3.76Å
132	P	92.2	Very high	86.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-62.4	125.9	176.6	-23.4	32.8	0	0	0	113.8	A109 I110 F362 M363 I366	A109-P132 HydrophobicContact CB-CB 4.36Å; I110-P132 PolarHBondContact N-O 3.08Å; P132-F362 HydrophobicContact CG-CD1 3.71Å; P132-F362 HydrophobicContact CG-CE1 4.22Å; P132-M363 HydrophobicContact CB-CE 3.39Å; P132-M363 HydrophobicContact CG-CE 3.85Å; P132-I366 HydrophobicContact CB-CD1 3.71Å; P132-I366 HydrophobicContact CG-CD1 3.81Å
133	H	92.6	Very high	85.1	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	119.1	167.6	-175.1	-161	0	0	0	110.7	G112 S119 Q123 C126 V131 Q135 F149 Y150 A151	G112-H133 PolarHBondContact O-CD2 3.4Å; G112-H133 PolarHBondContact O-NE2 3Å; S119-H133 PolarHBondContact OG-CE1 3.04Å; Q123-H133 PolarHBondContact OE1-ND1 2.91Å; C126-H133 HydrophobicContact CB-CB 3.85Å; V131-H133 PolarHBondContact O-N 3.48Å; H133-Q135 PolarHBondContact CE1-NE2 3.41Å; H133-Q135 PolarHBondContact ND1-NE2 2.99Å; H133-F149 PolarHBondContact N-O 3.4Å; H133-Y150 VanDerWaalsContact O-CA 3.25Å; H133-Y150 WeakPolarHBondContact O-CA 3.07Å; H133-A151 PolarHBondContact O-N 2.71Å
134	I	92.2	Very high	83.7	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119.4	179.7	-52.6	-59.5	0	0	0	109.5	I110 F111 G112 A151 L153 A329 V333 I366	I110-I134 PolarHBondContact O-N 3.33Å; F111-I134 HydrophobicContact CD1-CB 3.87Å; F111-I134 HydrophobicContact CD1-CG1 4.46Å; F111-I134 HydrophobicContact CD1-CG2 3.91Å; F111-I134 HydrophobicContact CE1-CB 4.1Å; F111-I134 HydrophobicContact CE1-CG1 4.29Å; F111-I134 HydrophobicContact CE1-CG2 3.97Å; F111-I134 HydrophobicContact CG-CB 4.37Å; G112-I134 PolarHBondContact N-O 3.44Å; G112-I134 VanDerWaalsContact N-O 3.11Å; I134-A151 HydrophobicContact CD1-CB 4.05Å; I134-L153 HydrophobicContact CG2-CD1 3.61Å; I134-A329 HydrophobicContact CG2-CB 3.87Å; I134-V333 HydrophobicContact CD1-CG2 4.2Å; I134-V333 HydrophobicContact CG1-CG2 3.97Å; I134-I366 HydrophobicContact CD1-CD1 4.36Å; I134-I366 HydrophobicContact CD1-CG2 4.19Å
135	Q	90.3	Very high	82.5	Confident	6 Å²	6	49.8 Å²	49.8	3%	0.028	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	140.1	-177.5	-62.9	171.1	11.4	0	0	110.2	Q123 H133 A151 N152 L153	Q123-Q135 VanDerWaalsContact OE1-NE2 3.15Å; H133-Q135 PolarHBondContact CE1-NE2 3.41Å; H133-Q135 PolarHBondContact ND1-NE2 2.99Å; Q135-A151 PolarHBondContact N-O 3.17Å; Q135-N152 HydrophobicContact CB-CB 4.2Å; Q135-N152 PolarHBondContact O-OD1 3.29Å; Q135-L153 PolarHBondContact O-N 3.3Å
136	V	87.4	Confident	81.5	Confident	10 Å²	10	59.1 Å²	59.1	6%	0.061	29%	0.287	C	S	.	.			trans	-116.9	-8	-180	-63.3	0	0	0	0	113.2	Y154 L325 A329	V136-Y154 WeakPolarHBondContact O-CD2 3.33Å; V136-L325 HydrophobicContact CB-CB 4.28Å; V136-L325 HydrophobicContact CG1-CB 4.43Å; V136-A329 HydrophobicContact CG1-CB 4.2Å
137	R	85.4	Confident	81	Confident	107 Å²	107	60.6 Å²	60.6	40%	0.404	30%	0.295	S	S	.	.	S	Bend	trans	-114.7	160	177.5	-81	-160.3	166.7	168.5	-2.5	111.9	E57 N152 D322	E57-R137 IonicContact OE1-CZ 3.68Å; E57-R137 IonicContact OE1-NE 3.62Å; E57-R137 IonicContact OE1-NH2 3.97Å; R137-N152 PolarHBondContact O-ND2 3.46Å; R137-N152 PolarHBondContact O-OD1 3.29Å; R137-D322 IonicContact CZ-OD2 3.66Å; R137-D322 IonicContact NE-OD1 3.97Å; R137-D322 IonicContact NE-OD2 3.71Å; R137-D322 PolarHBondContact NE-OD2 3.39Å; R137-D322 VanDerWaalsContact NE-OD2 3.16Å; R137-D322 IonicContact NH2-OD2 3.45Å; R137-D322 PolarHBondContact NH2-OD2 2.88Å
138	W	83.2	Confident	80.7	Confident	55 Å²	55	62.1 Å²	62.1	21%	0.208	31%	0.306	C	S	.	.			trans	-65	145.3	173.7	-174.3	57.3	0	0	0	113.1	H140 Y154 Y157 T184 I187 R188	W138-H140 HydrophobicContact CH2-CB 3.94Å; W138-H140 HydrophobicContact CZ2-CB 4.07Å; W138-Y154 HydrophobicContact CB-CD1 4.13Å; W138-Y154 HydrophobicContact CB-CE1 4.39Å; W138-Y157 HydrophobicContact CB-CD2 4.18Å; W138-Y157 HydrophobicContact CB-CE2 3.19Å; W138-Y157 VanDerWaalsContact CB-OH 3.23Å; W138-Y157 WeakPolarHBondContact CB-OH 3.14Å; W138-Y157 AromaticContact CD1-CD2 2.89Å; W138-Y157 AromaticContact CD1-CE2 2.85Å; W138-Y157 AromaticContact CD1-CG 3.94Å; W138-Y157 AromaticContact CD1-CZ 3.86Å; W138-Y157 HydrophobicContact CD2-CD2 4.07Å; W138-Y157 AromaticContact CD2-CE2 3.76Å; W138-Y157 HydrophobicContact CD2-CE2 3.76Å; W138-Y157 AromaticContact CE2-CD2 3.87Å; W138-Y157 AromaticContact CG-CD2 3.43Å; W138-Y157 HydrophobicContact CG-CD2 3.43Å; W138-Y157 VanDerWaalsContact CG-CD2 3.43Å; W138-Y157 AromaticContact CG-CE2 2.89Å; W138-Y157 HydrophobicContact CG-CE2 2.89Å; W138-Y157 HydrophobicContact CG-CG 4.38Å; W138-Y157 AromaticContact CG-CZ 3.46Å; W138-Y157 VanDerWaalsContact CG-CZ 3.46Å; W138-Y157 AromaticContact NE1-CD2 3.09Å; W138-Y157 AromaticContact NE1-CE2 3.5Å; W138-Y157 AromaticContact NE1-CG 3.73Å; W138-T184 HydrophobicContact CZ3-CG2 4.48Å; W138-I187 HydrophobicContact CH2-CB 4.2Å; W138-I187 HydrophobicContact CH2-CG2 4.15Å; W138-I187 HydrophobicContact CZ2-CG2 4.17Å; W138-R188 HydrophobicContact CD2-CG 4.08Å; W138-R188 HydrophobicContact CE3-CG 4.1Å; W138-R188 HydrophobicContact CH2-CG 3.81Å; W138-R188 HydrophobicContact CZ2-CG 3.79Å; W138-R188 HydrophobicContact CZ3-CG 4Å
139	K	79.4	Confident	80.7	Confident	14 Å²	14	60.1 Å²	60.1	6%	0.061	29%	0.286	C	S	.	.			trans	-147.2	139	171.1	-179.5	-177.1	175.3	-175.8	0	109.3	N120 H141	N120-K139 WeakPolarHBondContact OD1-CE 3.21Å; N120-K139 PolarHBondContact OD1-NZ 3.46Å; K139-H141 PolarHBondContact O-CE1 2.95Å; K139-H141 PolarHBondContact O-N 3.44Å; K139-H141 PolarHBondContact O-ND1 3.38Å
140	H	73.6	Confident	80.7	Confident	106 Å²	106	60.6 Å²	60.6	49%	0.491	29%	0.288	S	S	.	.			trans	-70.3	117.4	169.6	-172.3	64.8	0	0	0	109.6	W138 P142	W138-H140 HydrophobicContact CH2-CB 3.94Å; W138-H140 HydrophobicContact CZ2-CB 4.07Å; H140-P142 WeakPolarHBondContact O-CD 3.43Å
141	H	70.5	Confident	80.7	Confident	46 Å²	46	57.5 Å²	57.5	21%	0.213	27%	0.273	C	S	.	.			trans	-98.7	107	175.6	-68.2	77.7	0	0	0	108.1	K139 M143 Y150	K139-H141 PolarHBondContact O-CE1 2.95Å; K139-H141 PolarHBondContact O-N 3.44Å; K139-H141 PolarHBondContact O-ND1 3.38Å; H141-M143 PolarHBondContact O-N 3.06Å; H141-Y150 AromaticContact CD2-CE2 3.74Å; H141-Y150 AromaticContact CD2-CZ 3.56Å; H141-Y150 PolarHBondContact CD2-OH 2.91Å; H141-Y150 AromaticContact NE2-CD2 3.93Å; H141-Y150 AromaticContact NE2-CE2 3.35Å; H141-Y150 WeakPolarHBondContact NE2-CE2 3.32Å; H141-Y150 AromaticContact NE2-CZ 3.69Å
142	P	67.4	Low	80.7	Confident	64 Å²	64	57.6 Å²	57.6	42%	0.416	27%	0.274	S	S	.	.			trans	-64.7	131.6	174.7	23.9	-29.2	0	0	0	109.2	H140 D144 N145	H140-P142 WeakPolarHBondContact O-CD 3.43Å; P142-D144 PolarHBondContact O-N 3.41Å; P142-N145 HydrophobicContact CG-CB 3.94Å; P142-N145 PolarHBondContact O-N 3.43Å
143	M	60	Low	80.6	Confident	192 Å²	192	57.6 Å²	57.6	95%	0.946	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-23.2	-178.8	-71.8	-82.2	-166.4	0	0	113.4	H141 N145	H141-M143 PolarHBondContact O-N 3.06Å; M143-N145 VanDerWaalsContact C-N 3.34Å
144	D	61.3	Low	80.5	Confident	157 Å²	157	59.1 Å²	59.1	84%	0.84	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-18.4	179	-65.2	-32.5	0	0	0	113.4	P142 R146	P142-D144 PolarHBondContact O-N 3.41Å; D144-R146 PolarHBondContact O-N 2.92Å
145	N	64.6	Low	80.3	Confident	85 Å²	85	59.1 Å²	59.1	46%	0.455	28%	0.28	S	S	.	.			trans	-91.5	103.2	-174.8	-163	25.6	0	0	0	111	P142 M143 D147	P142-N145 HydrophobicContact CG-CB 3.94Å; P142-N145 PolarHBondContact O-N 3.43Å; M143-N145 VanDerWaalsContact C-N 3.34Å; N145-D147 PolarHBondContact ND2-OD2 2.9Å; N145-D147 PolarHBondContact O-N 3.42Å
146	R	69.6	Low	80.1	Confident	227 Å²	227	60.7 Å²	60.7	86%	0.857	29%	0.288	S	S	*	.			trans	-80.7	48.5	-179.6	-62	-176.1	178.7	-176.6	-0.1	112.4	D144	D144-R146 PolarHBondContact O-N 2.92Å
147	D	81.6	Confident	79.8	Confident	31 Å²	31	61.3 Å²	61.3	17%	0.166	29%	0.29	C	S	.	.			trans	-68.5	136.3	173.5	-75.1	-26.7	0	0	0	109.9	Q123 N127 N145 Y150	Q123-D147 WeakPolarHBondContact CG-OD2 3.12Å; N127-D147 PolarHBondContact ND2-OD1 3.36Å; N145-D147 PolarHBondContact ND2-OD2 2.9Å; N145-D147 PolarHBondContact O-N 3.42Å; D147-Y150 HydrophobicContact CB-CD1 3.87Å; D147-Y150 HydrophobicContact CB-CE1 3.73Å; D147-Y150 WeakPolarHBondContact O-CE1 3.37Å
148	T	83.4	Confident	79.7	Confident	72 Å²	72	58.8 Å²	58.8	44%	0.442	29%	0.288	S	S	.	.			trans	-117.5	-32.3	-175.8	56.3	0	0	0	0	112.8	N127 Y150 K367	N127-T148 PolarHBondContact OD1-N 2.84Å; N127-T148 PolarHBondContact OD1-OG1 2.94Å; T148-Y150 VanDerWaalsContact C-N 3.33Å; T148-Y150 PolarHBondContact O-N 3.4Å; T148-Y150 VanDerWaalsContact O-N 3.15Å; T148-K367 PolarHBondContact O-NZ 3.04Å
149	F	89.4	Confident	79.8	Confident	19 Å²	19	57 Å²	57	8%	0.083	28%	0.284	C	S	.	.	S	Bend	trans	-89.5	57.2	-175	-71	-85.2	0	0	0	113.8	Q123 N127 E130 H133 M363	Q123-F149 PolarHBondContact NE2-O 3.37Å; N127-F149 WeakPolarHBondContact OD1-CD2 3.31Å; N127-F149 PolarHBondContact OD1-N 3.28Å; E130-F149 HydrophobicContact CB-CD1 4.35Å; E130-F149 HydrophobicContact CB-CE1 3.69Å; E130-F149 HydrophobicContact CB-CE2 3.99Å; E130-F149 HydrophobicContact CB-CZ 3.49Å; E130-F149 VanDerWaalsContact CB-CZ 3.49Å; E130-F149 HydrophobicContact CG-CE1 4.22Å; E130-F149 HydrophobicContact CG-CE2 3.65Å; E130-F149 HydrophobicContact CG-CZ 3.48Å; E130-F149 VanDerWaalsContact CG-CZ 3.48Å; H133-F149 PolarHBondContact N-O 3.4Å; F149-M363 VanDerWaalsContact C-CE 3.5Å; F149-M363 HydrophobicContact CB-CE 4.21Å; F149-M363 HydrophobicContact CD1-CB 3.95Å; F149-M363 HydrophobicContact CD1-CE 4.21Å; F149-M363 HydrophobicContact CD1-CG 4.09Å; F149-M363 HydrophobicContact CE1-CB 4.08Å
150	Y	90.9	Very high	80.2	Confident	14 Å²	14	57.2 Å²	57.2	6%	0.055	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	156.8	169.9	72.3	-84.6	0	0	0	112.6	H133 H141 D147 T148 K367 T384 L386	H133-Y150 VanDerWaalsContact O-CA 3.25Å; H133-Y150 WeakPolarHBondContact O-CA 3.07Å; H141-Y150 AromaticContact CD2-CE2 3.74Å; H141-Y150 AromaticContact CD2-CZ 3.56Å; H141-Y150 PolarHBondContact CD2-OH 2.91Å; H141-Y150 AromaticContact NE2-CD2 3.93Å; H141-Y150 AromaticContact NE2-CE2 3.35Å; H141-Y150 WeakPolarHBondContact NE2-CE2 3.32Å; H141-Y150 AromaticContact NE2-CZ 3.69Å; D147-Y150 HydrophobicContact CB-CD1 3.87Å; D147-Y150 HydrophobicContact CB-CE1 3.73Å; D147-Y150 WeakPolarHBondContact O-CE1 3.37Å; T148-Y150 VanDerWaalsContact C-N 3.33Å; T148-Y150 PolarHBondContact O-N 3.4Å; T148-Y150 VanDerWaalsContact O-N 3.15Å; Y150-K367 WeakPolarHBondContact O-CE 3.46Å; Y150-T384 PolarHBondContact OH-O 3.42Å; Y150-L386 HydrophobicContact CE2-CD2 3.92Å
151	A	90.1	Very high	80.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	126	166.6	0	0	0	0	0	108.8	H133 I134 Q135 I366 F380 G385	H133-A151 PolarHBondContact O-N 2.71Å; I134-A151 HydrophobicContact CD1-CB 4.05Å; Q135-A151 PolarHBondContact N-O 3.17Å; A151-I366 HydrophobicContact CB-CG2 3.97Å; A151-F380 HydrophobicContact CB-CE1 4.24Å; A151-F380 HydrophobicContact CB-CZ 4.45Å; A151-G385 WeakPolarHBondContact CA-O 3.29Å
152	N	90.7	Very high	81.7	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.8	175.7	-165.7	-9.9	0	0	0	109.9	Q135 R137 Y154 G385 L386 R387	Q135-N152 HydrophobicContact CB-CB 4.2Å; Q135-N152 PolarHBondContact O-OD1 3.29Å; R137-N152 PolarHBondContact O-ND2 3.46Å; R137-N152 PolarHBondContact O-OD1 3.29Å; N152-Y154 VanDerWaalsContact C-N 3.34Å; N152-Y154 VanDerWaalsContact OD1-CB 3.32Å; N152-Y154 WeakPolarHBondContact OD1-CB 3.48Å; N152-Y154 PolarHBondContact OD1-N 3.02Å; N152-G385 PolarHBondContact N-O 3.4Å; N152-G385 VanDerWaalsContact N-O 3.09Å; N152-L386 HydrophobicContact CB-CD2 3.88Å; N152-R387 PolarHBondContact O-N 2.95Å
153	L	89.8	Confident	82.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-18.2	178.3	-82.3	81.9	0	0	0	112.9	I134 Q135 L325 D328 A329 I332 L378 F380 R387	I134-L153 HydrophobicContact CG2-CD1 3.61Å; Q135-L153 PolarHBondContact O-N 3.3Å; L153-L325 HydrophobicContact CB-CD2 4.32Å; L153-D328 HydrophobicContact CD2-CB 4.25Å; L153-A329 HydrophobicContact CD1-CB 4.21Å; L153-A329 VanDerWaalsContact CD2-CA 3.44Å; L153-A329 HydrophobicContact CD2-CB 3.67Å; L153-I332 HydrophobicContact CD2-CD1 3.92Å; L153-I332 HydrophobicContact CG-CD1 4.39Å; L153-L378 HydrophobicContact CD2-CD2 4.28Å; L153-F380 HydrophobicContact CD1-CE1 4.22Å; L153-F380 HydrophobicContact CD1-CZ 3.92Å; L153-F380 HydrophobicContact CG-CE1 4.21Å; L153-F380 HydrophobicContact CG-CZ 3.94Å; L153-R387 VanDerWaalsContact O-CD 3.3Å; L153-R387 WeakPolarHBondContact O-CD 3.36Å
154	Y	89.3	Confident	84.2	Confident	32 Å²	32	42.6 Å²	42.6	13%	0.125	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	131.1	176.1	-160.2	-82.3	0	0	0	109.4	V136 W138 N152 Y157 L160 L325	V136-Y154 WeakPolarHBondContact O-CD2 3.33Å; W138-Y154 HydrophobicContact CB-CD1 4.13Å; W138-Y154 HydrophobicContact CB-CE1 4.39Å; N152-Y154 VanDerWaalsContact C-N 3.34Å; N152-Y154 VanDerWaalsContact OD1-CB 3.32Å; N152-Y154 WeakPolarHBondContact OD1-CB 3.48Å; N152-Y154 PolarHBondContact OD1-N 3.02Å; Y154-Y157 HydrophobicContact CD1-CD2 4.3Å; Y154-Y157 AromaticContact CD1-CE2 3.42Å; Y154-Y157 HydrophobicContact CD1-CE2 3.42Å; Y154-Y157 VanDerWaalsContact CD1-CE2 3.42Å; Y154-Y157 HydrophobicContact CE1-CD2 4.13Å; Y154-Y157 HydrophobicContact CE1-CE1 4.32Å; Y154-Y157 AromaticContact CE1-CE2 3.11Å; Y154-Y157 HydrophobicContact CE1-CE2 3.11Å; Y154-Y157 AromaticContact CE1-CZ 3.32Å; Y154-Y157 WeakPolarHBondContact CE1-OH 3.41Å; Y154-Y157 AromaticContact CZ-CZ 3.92Å; Y154-Y157 PolarHBondContact OH-OH 2.95Å; Y154-L160 HydrophobicContact CE1-CD1 4.12Å; Y154-L325 HydrophobicContact CD2-CD1 3.77Å; Y154-L325 HydrophobicContact CE2-CD1 4.42Å
155	P	88.6	Confident	85.5	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	141.9	179.4	-24.4	31.8	0	0	0	113.2	Y157 L160 I285 F390	P155-Y157 PolarHBondContact O-N 3.31Å; P155-L160 HydrophobicContact CB-CD1 4.29Å; P155-L160 HydrophobicContact CB-CD2 4.47Å; P155-L160 HydrophobicContact CB-CG 4.33Å; P155-I285 HydrophobicContact CG-CD1 3.4Å; P155-F390 HydrophobicContact CB-CD1 3.82Å; P155-F390 HydrophobicContact CB-CD2 4.22Å; P155-F390 HydrophobicContact CB-CE1 3.53Å; P155-F390 HydrophobicContact CB-CE2 3.94Å; P155-F390 HydrophobicContact CB-CG 4.16Å; P155-F390 HydrophobicContact CB-CZ 3.59Å
156	D	85.7	Confident	86.7	Confident	39 Å²	39	34.1 Å²	34.1	21%	0.209	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-60.4	137.5	176	-176.8	53.6	0	0	0	112.3	S158 S159 L160 R387 T388	D156-S158 WeakPolarHBondContact OD2-CB 3.44Å; D156-S158 PolarHBondContact OD2-N 3.29Å; D156-S158 VanDerWaalsContact OD2-N 3.12Å; D156-S158 PolarHBondContact OD2-OG 3.19Å; D156-S159 WeakPolarHBondContact O-CB 3.2Å; D156-S159 PolarHBondContact O-N 3.41Å; D156-L160 PolarHBondContact O-N 3.46Å; D156-L160 VanDerWaalsContact O-N 3.11Å; D156-R387 PolarHBondContact N-O 3.5Å; D156-R387 VanDerWaalsContact N-O 3.07Å; D156-T388 HydrophobicContact CB-CG2 4.47Å
157	Y	80.6	Confident	87.6	Confident	23 Å²	23	23.7 Å²	23.7	9%	0.09	12%	0.123	C	C	.	.	H	α-helix	trans	-75.5	-28.1	-175.6	-84.1	-98.8	0	0	0	113.2	W138 Y154 P155 S159 L160 S161 R188	W138-Y157 HydrophobicContact CB-CD2 4.18Å; W138-Y157 HydrophobicContact CB-CE2 3.19Å; W138-Y157 VanDerWaalsContact CB-OH 3.23Å; W138-Y157 WeakPolarHBondContact CB-OH 3.14Å; W138-Y157 AromaticContact CD1-CD2 2.89Å; W138-Y157 AromaticContact CD1-CE2 2.85Å; W138-Y157 AromaticContact CD1-CG 3.94Å; W138-Y157 AromaticContact CD1-CZ 3.86Å; W138-Y157 HydrophobicContact CD2-CD2 4.07Å; W138-Y157 AromaticContact CD2-CE2 3.76Å; W138-Y157 HydrophobicContact CD2-CE2 3.76Å; W138-Y157 AromaticContact CE2-CD2 3.87Å; W138-Y157 AromaticContact CG-CD2 3.43Å; W138-Y157 HydrophobicContact CG-CD2 3.43Å; W138-Y157 VanDerWaalsContact CG-CD2 3.43Å; W138-Y157 AromaticContact CG-CE2 2.89Å; W138-Y157 HydrophobicContact CG-CE2 2.89Å; W138-Y157 HydrophobicContact CG-CG 4.38Å; W138-Y157 AromaticContact CG-CZ 3.46Å; W138-Y157 VanDerWaalsContact CG-CZ 3.46Å; W138-Y157 AromaticContact NE1-CD2 3.09Å; W138-Y157 AromaticContact NE1-CE2 3.5Å; W138-Y157 AromaticContact NE1-CG 3.73Å; Y154-Y157 HydrophobicContact CD1-CD2 4.3Å; Y154-Y157 AromaticContact CD1-CE2 3.42Å; Y154-Y157 HydrophobicContact CD1-CE2 3.42Å; Y154-Y157 VanDerWaalsContact CD1-CE2 3.42Å; Y154-Y157 HydrophobicContact CE1-CD2 4.13Å; Y154-Y157 HydrophobicContact CE1-CE1 4.32Å; Y154-Y157 AromaticContact CE1-CE2 3.11Å; Y154-Y157 HydrophobicContact CE1-CE2 3.11Å; Y154-Y157 AromaticContact CE1-CZ 3.32Å; Y154-Y157 WeakPolarHBondContact CE1-OH 3.41Å; Y154-Y157 AromaticContact CZ-CZ 3.92Å; Y154-Y157 PolarHBondContact OH-OH 2.95Å; P155-Y157 PolarHBondContact O-N 3.31Å; Y157-S159 VanDerWaalsContact C-N 3.27Å; Y157-S159 PolarHBondContact O-N 3.13Å; Y157-L160 HydrophobicContact CD1-CD1 4.25Å; Y157-L160 HydrophobicContact CE1-CD1 4.33Å; Y157-L160 HydrophobicContact CG-CD1 4.49Å; Y157-L160 PolarHBondContact O-N 3.16Å; Y157-S161 VanDerWaalsContact O-CB 3.27Å; Y157-S161 WeakPolarHBondContact O-CB 3.49Å; Y157-S161 PolarHBondContact O-N 2.85Å; Y157-S161 PolarHBondContact O-OG 3.05Å; Y157-S161 VanDerWaalsContact O-OG 3.1Å; Y157-R188 HydrophobicContact CD1-CB 3.38Å; Y157-R188 HydrophobicContact CD1-CG 3.4Å; Y157-R188 HydrophobicContact CE1-CB 3.71Å; Y157-R188 HydrophobicContact CE1-CG 3.42Å; Y157-R188 VanDerWaalsContact CE1-CG 3.42Å; Y157-R188 HydrophobicContact CG-CB 4.21Å; Y157-R188 HydrophobicContact CG-CG 3.98Å; Y157-R188 PolarHBondContact OH-NH1 2.91Å
158	S	83.9	Confident	88	Confident	54 Å²	54	22.3 Å²	22.3	38%	0.378	12%	0.116	S	C	.	.	H	α-helix	trans	-59.4	-47.2	173.8	-29.2	0	0	0	0	108.7	D156 S161 Y162	D156-S158 WeakPolarHBondContact OD2-CB 3.44Å; D156-S158 PolarHBondContact OD2-N 3.29Å; D156-S158 VanDerWaalsContact OD2-N 3.12Å; D156-S158 PolarHBondContact OD2-OG 3.19Å; S158-S161 WeakPolarHBondContact CA-OG 2.99Å; S158-S161 PolarHBondContact O-N 3.43Å; S158-S161 PolarHBondContact O-OG 3.2Å; S158-Y162 WeakPolarHBondContact O-CD2 3.5Å; S158-Y162 PolarHBondContact O-N 2.7Å
159	S	86.4	Confident	88.2	Confident	17 Å²	17	22.8 Å²	22.8	12%	0.119	11%	0.113	C	C	.	.	H	α-helix	trans	-59.2	-47.2	173.2	-65.4	0	0	0	0	113.1	D156 Y157 S161 Y162 A163 W423	D156-S159 WeakPolarHBondContact O-CB 3.2Å; D156-S159 PolarHBondContact O-N 3.41Å; Y157-S159 VanDerWaalsContact C-N 3.27Å; Y157-S159 PolarHBondContact O-N 3.13Å; S159-S161 VanDerWaalsContact C-N 3.32Å; S159-S161 PolarHBondContact O-N 3.03Å; S159-Y162 PolarHBondContact O-N 3.45Å; S159-A163 PolarHBondContact O-N 3.47Å; S159-W423 WeakPolarHBondContact O-CH2 3.35Å; S159-W423 WeakPolarHBondContact O-CZ2 3.35Å
160	L	86.9	Confident	88.1	Confident	19 Å²	19	26.8 Å²	26.8	10%	0.099	13%	0.128	C	C	.	.	H	α-helix	trans	-61.4	-39.7	177	-70	174.2	0	0	0	112.5	Y154 P155 D156 Y157 A163 I164 F390 L392	Y154-L160 HydrophobicContact CE1-CD1 4.12Å; P155-L160 HydrophobicContact CB-CD1 4.29Å; P155-L160 HydrophobicContact CB-CD2 4.47Å; P155-L160 HydrophobicContact CB-CG 4.33Å; D156-L160 PolarHBondContact O-N 3.46Å; D156-L160 VanDerWaalsContact O-N 3.11Å; Y157-L160 HydrophobicContact CD1-CD1 4.25Å; Y157-L160 HydrophobicContact CE1-CD1 4.33Å; Y157-L160 HydrophobicContact CG-CD1 4.49Å; Y157-L160 PolarHBondContact O-N 3.16Å; L160-A163 WeakPolarHBondContact O-CB 3.49Å; L160-A163 PolarHBondContact O-N 3.04Å; L160-I164 WeakPolarHBondContact O-CG1 3.49Å; L160-I164 PolarHBondContact O-N 2.9Å; L160-F390 HydrophobicContact CD2-CE2 3.75Å; L160-F390 HydrophobicContact CD2-CZ 3.88Å; L160-F390 HydrophobicContact CG-CE2 4.44Å; L160-F390 HydrophobicContact CG-CZ 4.06Å; L160-L392 HydrophobicContact CD2-CD1 4.34Å; L160-L392 HydrophobicContact CD2-CD2 4Å
161	S	87.8	Confident	87.9	Confident	2 Å²	2	28.6 Å²	28.6	1%	0.014	14%	0.139	C	C	.	.	H	α-helix	trans	-68.8	-34.3	178.6	69.7	0	0	0	0	112.4	Y157 S158 S159 I164 L165 E191	Y157-S161 VanDerWaalsContact O-CB 3.27Å; Y157-S161 WeakPolarHBondContact O-CB 3.49Å; Y157-S161 PolarHBondContact O-N 2.85Å; Y157-S161 PolarHBondContact O-OG 3.05Å; Y157-S161 VanDerWaalsContact O-OG 3.1Å; S158-S161 WeakPolarHBondContact CA-OG 2.99Å; S158-S161 PolarHBondContact O-N 3.43Å; S158-S161 PolarHBondContact O-OG 3.2Å; S159-S161 VanDerWaalsContact C-N 3.32Å; S159-S161 PolarHBondContact O-N 3.03Å; S161-I164 PolarHBondContact O-N 2.97Å; S161-L165 WeakPolarHBondContact O-CB 3.47Å; S161-L165 PolarHBondContact O-N 3.27Å; S161-E191 VanDerWaalsContact OG-CB 3.26Å; S161-E191 WeakPolarHBondContact OG-CB 3.42Å; S161-E191 WeakPolarHBondContact OG-CG 3.34Å
162	Y	88.4	Confident	87.8	Confident	90 Å²	90	36.1 Å²	36.1	35%	0.353	17%	0.171	S	C	.	.	H	α-helix	trans	-65.2	-40.3	169	-71.9	-52.4	0	0	0	111.9	S158 S159 I164 L165 D166 E191	S158-Y162 WeakPolarHBondContact O-CD2 3.5Å; S158-Y162 PolarHBondContact O-N 2.7Å; S159-Y162 PolarHBondContact O-N 3.45Å; Y162-I164 VanDerWaalsContact C-N 3.32Å; Y162-I164 PolarHBondContact O-N 3.17Å; Y162-L165 HydrophobicContact CD1-CD2 4.44Å; Y162-L165 WeakPolarHBondContact O-CB 3.43Å; Y162-L165 PolarHBondContact O-N 2.9Å; Y162-L165 VanDerWaalsContact O-N 3.16Å; Y162-D166 WeakPolarHBondContact O-CB 3.49Å; Y162-D166 PolarHBondContact O-N 3.16Å; Y162-E191 HydrophobicContact CE1-CB 4.35Å; Y162-E191 HydrophobicContact CE1-CG 4.24Å; Y162-E191 WeakPolarHBondContact CE1-OE2 3.4Å; Y162-E191 VanDerWaalsContact CZ-OE2 3.31Å; Y162-E191 PolarHBondContact OH-OE2 3.49Å
163	A	89.1	Confident	87.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.7	-42.9	174.7	0	0	0	0	0	112.3	S159 L160 L167 L392 W423	S159-A163 PolarHBondContact O-N 3.47Å; L160-A163 WeakPolarHBondContact O-CB 3.49Å; L160-A163 PolarHBondContact O-N 3.04Å; A163-L167 WeakPolarHBondContact O-CB 3.42Å; A163-L167 PolarHBondContact O-N 3.23Å; A163-L167 VanDerWaalsContact O-N 3.08Å; A163-L392 HydrophobicContact CB-CD2 3.89Å; A163-W423 HydrophobicContact CB-CD2 3.43Å; A163-W423 VanDerWaalsContact CB-CD2 3.43Å; A163-W423 HydrophobicContact CB-CE3 3.78Å; A163-W423 HydrophobicContact CB-CG 3.79Å; A163-W423 HydrophobicContact CB-CH2 4.27Å; A163-W423 HydrophobicContact CB-CZ2 3.96Å; A163-W423 HydrophobicContact CB-CZ3 4.19Å
164	I	89.8	Confident	87.5	Confident	9 Å²	9	43.7 Å²	43.7	5%	0.046	20%	0.204	C	C	.	.	H	α-helix	trans	-64.8	-42.9	175.1	-63	161.2	0	0	0	110.5	L160 S161 Y162 L167 V168 L189 L192 T261 F283	L160-I164 WeakPolarHBondContact O-CG1 3.49Å; L160-I164 PolarHBondContact O-N 2.9Å; S161-I164 PolarHBondContact O-N 2.97Å; Y162-I164 VanDerWaalsContact C-N 3.32Å; Y162-I164 PolarHBondContact O-N 3.17Å; I164-L167 PolarHBondContact O-N 2.91Å; I164-V168 HydrophobicContact CG2-CG2 4.37Å; I164-V168 VanDerWaalsContact O-CG2 3.27Å; I164-V168 WeakPolarHBondContact O-CG2 3.45Å; I164-V168 PolarHBondContact O-N 3.12Å; I164-L189 HydrophobicContact CD1-CD2 3.99Å; I164-L192 HydrophobicContact CG2-CD1 4.29Å; I164-L192 HydrophobicContact CG2-CD2 4Å; I164-T261 HydrophobicContact CD1-CG2 3.7Å; I164-F283 HydrophobicContact CB-CZ 4.47Å; I164-F283 HydrophobicContact CD1-CE2 4.49Å; I164-F283 HydrophobicContact CG1-CE2 3.71Å; I164-F283 HydrophobicContact CG1-CZ 3.67Å
165	L	88.8	Confident	87.4	Confident	21 Å²	21	44.8 Å²	44.8	11%	0.11	21%	0.214	C	C	.	.	H	α-helix	trans	-62.1	-45.8	178.3	178.9	59.3	0	0	0	111.8	S161 Y162 L167 V168 Q169 L192 A195	S161-L165 WeakPolarHBondContact O-CB 3.47Å; S161-L165 PolarHBondContact O-N 3.27Å; Y162-L165 HydrophobicContact CD1-CD2 4.44Å; Y162-L165 WeakPolarHBondContact O-CB 3.43Å; Y162-L165 PolarHBondContact O-N 2.9Å; Y162-L165 VanDerWaalsContact O-N 3.16Å; L165-L167 VanDerWaalsContact C-N 3.29Å; L165-L167 PolarHBondContact O-N 2.74Å; L165-V168 PolarHBondContact O-N 2.91Å; L165-Q169 HydrophobicContact CD1-CG 4.29Å; L165-Q169 WeakPolarHBondContact O-CB 3.31Å; L165-Q169 VanDerWaalsContact O-CG 3.32Å; L165-Q169 WeakPolarHBondContact O-CG 3.46Å; L165-Q169 PolarHBondContact O-N 2.81Å; L165-L192 HydrophobicContact CB-CD1 4.5Å; L165-L192 HydrophobicContact CD1-CD1 4.28Å; L165-A195 HydrophobicContact CD1-CB 3.51Å; L165-A195 HydrophobicContact CD2-CB 4.29Å
166	D	89.4	Confident	87.6	Confident	44 Å²	44	45 Å²	45	24%	0.235	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-41	177	-72.6	-13.4	0	0	0	111.1	Y162 Q169 Y170 W423 L429	Y162-D166 WeakPolarHBondContact O-CB 3.49Å; Y162-D166 PolarHBondContact O-N 3.16Å; D166-Q169 PolarHBondContact O-N 3.38Å; D166-Y170 WeakPolarHBondContact O-CB 3.34Å; D166-Y170 PolarHBondContact O-N 3.01Å; D166-W423 PolarHBondContact OD2-NE1 2.86Å; D166-L429 HydrophobicContact CB-CB 4.04Å; D166-L429 HydrophobicContact CB-CD2 4.37Å
167	L	89.3	Confident	87.9	Confident	8 Å²	8	43.4 Å²	43.4	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-46.8	175.2	-179.2	62.1	0	0	0	111.7	A163 I164 L165 Q169 Y170 L171 I259 F283 I394	A163-L167 WeakPolarHBondContact O-CB 3.42Å; A163-L167 PolarHBondContact O-N 3.23Å; A163-L167 VanDerWaalsContact O-N 3.08Å; I164-L167 PolarHBondContact O-N 2.91Å; L165-L167 VanDerWaalsContact C-N 3.29Å; L165-L167 PolarHBondContact O-N 2.74Å; L167-Q169 VanDerWaalsContact C-N 3.3Å; L167-Q169 PolarHBondContact O-N 2.9Å; L167-Y170 PolarHBondContact O-N 2.75Å; L167-L171 HydrophobicContact CD1-CD1 4.25Å; L167-L171 HydrophobicContact CD1-CG 4.36Å; L167-L171 HydrophobicContact CG-CD1 4.12Å; L167-L171 WeakPolarHBondContact O-CB 3.45Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.34Å; L167-L171 PolarHBondContact O-N 2.9Å; L167-I259 HydrophobicContact CD2-CD1 4.21Å; L167-I259 HydrophobicContact CD2-CG2 4.31Å; L167-F283 HydrophobicContact CD2-CE1 4.08Å; L167-F283 HydrophobicContact CD2-CZ 3.77Å; L167-I394 HydrophobicContact CD1-CG2 4.48Å
168	V	89.5	Confident	88.5	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-37.5	178.3	171.1	0	0	0	0	111.4	I164 L165 K172 W173 I201 I231 I259	I164-V168 HydrophobicContact CG2-CG2 4.37Å; I164-V168 VanDerWaalsContact O-CG2 3.27Å; I164-V168 WeakPolarHBondContact O-CG2 3.45Å; I164-V168 PolarHBondContact O-N 3.12Å; L165-V168 PolarHBondContact O-N 2.91Å; V168-K172 PolarHBondContact O-N 2.66Å; V168-K172 VanDerWaalsContact O-N 3.14Å; V168-W173 HydrophobicContact CG1-CB 3.96Å; V168-W173 HydrophobicContact CG1-CE3 4.32Å; V168-W173 HydrophobicContact CG2-CE3 4.24Å; V168-W173 PolarHBondContact O-N 2.79Å; V168-I201 HydrophobicContact CG1-CD1 3.55Å; V168-I231 HydrophobicContact CG2-CD1 4.05Å; V168-I259 HydrophobicContact CG2-CD1 4.09Å
169	Q	88	Confident	88.9	Confident	83 Å²	83	39.8 Å²	39.8	39%	0.388	19%	0.185	S	C	.	.	H	α-helix	trans	-68	-43.5	174.6	-73	-179.2	14.2	0	0	112	L165 D166 L167 L171 K172 Y199	L165-Q169 HydrophobicContact CD1-CG 4.29Å; L165-Q169 WeakPolarHBondContact O-CB 3.31Å; L165-Q169 VanDerWaalsContact O-CG 3.32Å; L165-Q169 WeakPolarHBondContact O-CG 3.46Å; L165-Q169 PolarHBondContact O-N 2.81Å; D166-Q169 PolarHBondContact O-N 3.38Å; L167-Q169 VanDerWaalsContact C-N 3.3Å; L167-Q169 PolarHBondContact O-N 2.9Å; Q169-L171 VanDerWaalsContact C-N 3.3Å; Q169-L171 PolarHBondContact O-N 2.99Å; Q169-K172 WeakPolarHBondContact O-CA 3.26Å; Q169-K172 PolarHBondContact O-N 3.02Å; Q169-Y199 HydrophobicContact CG-CD2 4.48Å
170	Y	87.7	Confident	89.1	Confident	102 Å²	102	40.1 Å²	40.1	40%	0.4	18%	0.184	S	C	.	.	H	α-helix	trans	-59.4	-42.4	174.8	174.1	-99.6	0	0	0	111.7	D166 L167 K172 L429 I431	D166-Y170 WeakPolarHBondContact O-CB 3.34Å; D166-Y170 PolarHBondContact O-N 3.01Å; L167-Y170 PolarHBondContact O-N 2.75Å; Y170-K172 PolarHBondContact O-N 3.34Å; Y170-L429 HydrophobicContact CG-CD2 4.23Å; Y170-I431 HydrophobicContact CD1-CD1 3.34Å; Y170-I431 HydrophobicContact CD2-CD1 3.56Å; Y170-I431 HydrophobicContact CE1-CD1 3.16Å; Y170-I431 HydrophobicContact CE2-CD1 3.4Å; Y170-I431 HydrophobicContact CG-CD1 3.52Å
171	L	86.8	Confident	89.1	Confident	52 Å²	52	40.8 Å²	40.8	27%	0.272	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-7.6	175.5	-65.4	173.7	0	0	0	113.6	L167 Q169 W173 I259	L167-L171 HydrophobicContact CD1-CD1 4.25Å; L167-L171 HydrophobicContact CD1-CG 4.36Å; L167-L171 HydrophobicContact CG-CD1 4.12Å; L167-L171 WeakPolarHBondContact O-CB 3.45Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.34Å; L167-L171 PolarHBondContact O-N 2.9Å; Q169-L171 VanDerWaalsContact C-N 3.3Å; Q169-L171 PolarHBondContact O-N 2.99Å; L171-W173 VanDerWaalsContact C-N 3.28Å; L171-W173 HydrophobicContact CB-CG 4.2Å; L171-W173 HydrophobicContact CD1-CZ2 3.94Å; L171-W173 PolarHBondContact O-N 2.99Å; L171-I259 HydrophobicContact CD1-CD1 4.25Å
172	K	87.6	Confident	88.8	Confident	158 Å²	158	43.1 Å²	43.1	69%	0.687	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	39.5	179.2	-58	179	-177.7	179.7	0	113.4	V168 Q169 Y170 K174	V168-K172 PolarHBondContact O-N 2.66Å; V168-K172 VanDerWaalsContact O-N 3.14Å; Q169-K172 WeakPolarHBondContact O-CA 3.26Å; Q169-K172 PolarHBondContact O-N 3.02Å; Y170-K172 PolarHBondContact O-N 3.34Å; K172-K174 PolarHBondContact O-N 3.37Å
173	W	88.8	Confident	88.4	Confident	12 Å²	12	42.9 Å²	42.9	5%	0.045	21%	0.211	C	C	.	.			trans	-72.5	122.9	-179.3	-75.4	9.5	0	0	0	111.9	V168 L171 A176 Y199 I201 R229 I231 H257 I259	V168-W173 HydrophobicContact CG1-CB 3.96Å; V168-W173 HydrophobicContact CG1-CE3 4.32Å; V168-W173 HydrophobicContact CG2-CE3 4.24Å; V168-W173 PolarHBondContact O-N 2.79Å; L171-W173 VanDerWaalsContact C-N 3.28Å; L171-W173 HydrophobicContact CB-CG 4.2Å; L171-W173 HydrophobicContact CD1-CZ2 3.94Å; L171-W173 PolarHBondContact O-N 2.99Å; W173-A176 HydrophobicContact CE3-CB 3.84Å; W173-A176 HydrophobicContact CZ3-CB 4.24Å; W173-Y199 VanDerWaalsContact O-CE1 3.28Å; W173-Y199 WeakPolarHBondContact O-CE1 3.34Å; W173-I201 HydrophobicContact CB-CD1 4.41Å; W173-R229 HydrophobicContact CD2-CB 4.11Å; W173-R229 HydrophobicContact CD2-CG 3.99Å; W173-R229 HydrophobicContact CE3-CB 3.98Å; W173-R229 HydrophobicContact CE3-CG 4.38Å; W173-R229 HydrophobicContact CG-CG 4.45Å; W173-R229 HydrophobicContact CH2-CB 3.95Å; W173-R229 HydrophobicContact CH2-CG 4.25Å; W173-R229 HydrophobicContact CZ2-CB 4.15Å; W173-R229 HydrophobicContact CZ2-CG 3.93Å; W173-R229 HydrophobicContact CZ3-CB 3.89Å; W173-R229 HydrophobicContact CZ3-CG 4.48Å; W173-I231 HydrophobicContact CZ3-CD1 4.27Å; W173-I231 HydrophobicContact CZ3-CG1 3.94Å; W173-H257 HydrophobicContact CH2-CB 4.47Å; W173-H257 HydrophobicContact CZ2-CB 3.85Å; W173-H257 AromaticContact CZ2-CD2 3.98Å; W173-H257 AromaticContact CZ2-CG 3.56Å; W173-H257 AromaticContact CZ2-ND1 3.61Å; W173-I259 HydrophobicContact CE3-CD1 4.38Å; W173-I259 HydrophobicContact CH2-CD1 3.46Å; W173-I259 VanDerWaalsContact CH2-CD1 3.46Å; W173-I259 HydrophobicContact CH2-CG1 3.6Å; W173-I259 HydrophobicContact CZ2-CD1 4.09Å; W173-I259 HydrophobicContact CZ2-CG1 4.31Å; W173-I259 HydrophobicContact CZ3-CD1 3.6Å; W173-I259 HydrophobicContact CZ3-CG1 4.12Å
174	K	84.4	Confident	87.9	Confident	150 Å²	150	45 Å²	45	65%	0.652	23%	0.225	S	C	*	.	S	Bend	trans	-92.9	-17.4	174.4	-63	-173.1	178.8	-178.1	0	113.9	K172 I201 R202	K172-K174 PolarHBondContact O-N 3.37Å; K174-I201 WeakPolarHBondContact O-CA 3.42Å; K174-R202 PolarHBondContact O-N 3.33Å
175	T	88.7	Confident	87.3	Confident	56 Å²	56	44.6 Å²	44.6	34%	0.344	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	130.5	179.9	59.6	0	0	0	0	108.2	R202 R229	T175-R202 CarbonylContact C-O 3.24Å; T175-R202 VanDerWaalsContact CA-O 3.32Å; T175-R202 WeakPolarHBondContact CA-O 3.43Å; T175-R202 HydrophobicContact CG2-CB 4.27Å; T175-R229 WeakPolarHBondContact O-CD 3.44Å; T175-R229 PolarHBondContact O-NE 3.22Å; T175-R229 PolarHBondContact OG1-NE 3.11Å; T175-R229 PolarHBondContact OG1-NH2 3.06Å; T175-R229 VanDerWaalsContact OG1-NH2 3.14Å
176	A	91.5	Very high	87	Confident	4 Å²	4	46.2 Å²	46.2	3%	0.033	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	154.1	176.3	0	0	0	0	0	110.5	W173 I201 R202 L203 K204	W173-A176 HydrophobicContact CE3-CB 3.84Å; W173-A176 HydrophobicContact CZ3-CB 4.24Å; A176-I201 HydrophobicContact CB-CD1 3.99Å; A176-R202 PolarHBondContact N-O 3.31Å; A176-L203 HydrophobicContact CB-CD2 3.84Å; A176-L203 WeakPolarHBondContact O-CA 3.24Å; A176-K204 PolarHBondContact O-N 3.1Å
177	T	93.2	Very high	86.6	Confident	6 Å²	6	47.5 Å²	47.5	4%	0.037	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.9	174.4	-53.6	0	0	0	0	108.5	V179 K204 R206 M222 E227 R229 I230 I231	T177-V179 HydrophobicContact CG2-CG2 4.2Å; T177-K204 CarbonylContact C-O 3.37Å; T177-K204 VanDerWaalsContact CA-O 3.32Å; T177-K204 WeakPolarHBondContact CA-O 3.47Å; T177-K204 HydrophobicContact CG2-CB 4.1Å; T177-R206 HydrophobicContact CG2-CG 4.26Å; T177-M222 HydrophobicContact CG2-CE 4.28Å; T177-E227 WeakPolarHBondContact CG2-OE2 3.37Å; T177-E227 WeakPolarHBondContact OG1-CG 3.3Å; T177-E227 PolarHBondContact OG1-OE2 2.62Å; T177-R229 PolarHBondContact N-O 3.16Å; T177-I230 CarbonylContact O-C 3.59Å; T177-I230 WeakPolarHBondContact O-CA 3.42Å; T177-I231 PolarHBondContact O-N 2.95Å
178	V	92.4	Very high	86.3	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.8	174.8	177.3	0	0	0	0	107.7	L189 L192 L203 K204 R206 I231	V178-L189 HydrophobicContact CG1-CD1 3.55Å; V178-L192 HydrophobicContact CG2-CD2 4.12Å; V178-L203 HydrophobicContact CG2-CD2 3.91Å; V178-K204 PolarHBondContact N-O 3.4Å; V178-R206 PolarHBondContact O-N 2.75Å; V178-I231 HydrophobicContact CG2-CB 4.48Å; V178-I231 HydrophobicContact CG2-CD1 4.37Å
179	V	92.6	Very high	86	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.1	176.5	-179.8	0	0	0	0	107.3	T177 R206 L208 L218 M222 I230 I231 F232 D233	T177-V179 HydrophobicContact CG2-CG2 4.2Å; V179-R206 WeakPolarHBondContact CA-O 3.48Å; V179-R206 HydrophobicContact CG2-CB 4.33Å; V179-L208 HydrophobicContact CG1-CD1 4.19Å; V179-L208 HydrophobicContact CG1-CD2 3.54Å; V179-L208 HydrophobicContact CG1-CG 3.6Å; V179-L218 HydrophobicContact CG1-CD2 4.37Å; V179-M222 HydrophobicContact CG2-CE 3.68Å; V179-M222 HydrophobicContact CG2-SD 4.17Å; V179-I230 HydrophobicContact CG2-CG2 3.84Å; V179-I231 PolarHBondContact N-O 3.27Å; V179-F232 HydrophobicContact CB-CD1 3.74Å; V179-F232 HydrophobicContact CB-CE1 3.93Å; V179-F232 HydrophobicContact CG1-CD1 3.88Å; V179-F232 HydrophobicContact CG1-CE1 3.94Å; V179-F232 HydrophobicContact CG2-CD1 4.4Å; V179-F232 HydrophobicContact CG2-CE1 4.14Å; V179-F232 WeakPolarHBondContact O-CA 3.27Å; V179-D233 PolarHBondContact O-N 2.91Å
180	Y	91.6	Very high	85.8	Confident	24 Å²	24	49.6 Å²	49.6	9%	0.094	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	152.6	-177.7	67.6	-87.8	0	0	0	111.4	D182 L186 I205 R206 Q207 L208 D233	Y180-D182 WeakPolarHBondContact CD2-O 3.41Å; Y180-L186 HydrophobicContact CD1-CD2 3.85Å; Y180-L186 HydrophobicContact CD1-CG 4.27Å; Y180-L186 HydrophobicContact CD2-CG 4.21Å; Y180-L186 HydrophobicContact CE1-CD1 4.31Å; Y180-L186 HydrophobicContact CE1-CD2 3.58Å; Y180-L186 HydrophobicContact CE1-CG 3.96Å; Y180-L186 HydrophobicContact CE2-CD1 4.02Å; Y180-L186 HydrophobicContact CE2-CD2 4.41Å; Y180-L186 HydrophobicContact CE2-CG 3.87Å; Y180-L186 HydrophobicContact CG-CD2 4.4Å; Y180-L186 HydrophobicContact CG-CG 4.39Å; Y180-I205 HydrophobicContact CD1-CG2 4.05Å; Y180-I205 HydrophobicContact CE1-CG2 3.52Å; Y180-R206 WeakPolarHBondContact CD1-O 3.45Å; Y180-R206 WeakPolarHBondContact CE1-O 3.25Å; Y180-R206 PolarHBondContact N-O 2.72Å; Y180-R206 VanDerWaalsContact N-O 3.1Å; Y180-Q207 HydrophobicContact CD2-CG 4.09Å; Y180-Q207 HydrophobicContact CE1-CB 4.12Å; Y180-Q207 HydrophobicContact CE2-CB 3.91Å; Y180-Q207 HydrophobicContact CE2-CG 3.49Å; Y180-Q207 VanDerWaalsContact CE2-CG 3.49Å; Y180-Q207 WeakPolarHBondContact O-CA 3.45Å; Y180-L208 PolarHBondContact O-N 3.09Å; Y180-D233 WeakPolarHBondContact CA-O 3.03Å
181	D	86.4	Confident	85.5	Confident	33 Å²	33	46.8 Å²	46.8	18%	0.176	24%	0.235	C	C	.	.	S	Bend	trans	-80.8	-68.3	-178.3	-163.4	-1.9	0	0	0	111.4	L208 D233 C234	D181-L208 HydrophobicContact CB-CD1 4.25Å; D181-D233 PolarHBondContact N-O 2.86Å; D181-C234 HydrophobicContact CB-CB 3.97Å
182	D	81.9	Confident	85.4	Confident	52 Å²	52	44.4 Å²	44.4	28%	0.278	22%	0.223	S	C	.	.	S	Bend	trans	-108.4	162.1	-174	72	-27.9	0	0	0	112.8	Y180 T184 G185	Y180-D182 WeakPolarHBondContact CD2-O 3.41Å; D182-T184 VanDerWaalsContact CG-OG1 3.26Å; D182-T184 PolarHBondContact O-N 3.17Å; D182-T184 PolarHBondContact OD1-OG1 2.77Å; D182-T184 VanDerWaalsContact OD2-CB 3.31Å; D182-T184 WeakPolarHBondContact OD2-CB 3.46Å; D182-T184 WeakPolarHBondContact OD2-CG2 3.43Å; D182-T184 PolarHBondContact OD2-OG1 3.33Å; D182-G185 PolarHBondContact O-N 3.47Å; D182-G185 PolarHBondContact OD1-N 3.04Å
183	S	79	Confident	85.3	Confident	84 Å²	84	39.4 Å²	39.4	59%	0.587	20%	0.203	S	C	*	.	H	α-helix	trans	-59.6	-21.5	178.2	54.9	0	0	0	0	113.1
184	T	78.4	Confident	85.1	Confident	45 Å²	45	43.5 Å²	43.5	28%	0.276	22%	0.224	S	C	.	.	H	α-helix	trans	-74.6	-26.2	176.7	87.8	0	0	0	0	112.9	W138 D182 L186 I187 R188	W138-T184 HydrophobicContact CZ3-CG2 4.48Å; D182-T184 VanDerWaalsContact CG-OG1 3.26Å; D182-T184 PolarHBondContact O-N 3.17Å; D182-T184 PolarHBondContact OD1-OG1 2.77Å; D182-T184 VanDerWaalsContact OD2-CB 3.31Å; D182-T184 WeakPolarHBondContact OD2-CB 3.46Å; D182-T184 WeakPolarHBondContact OD2-CG2 3.43Å; D182-T184 PolarHBondContact OD2-OG1 3.33Å; T184-L186 PolarHBondContact O-N 3.45Å; T184-I187 WeakPolarHBondContact O-CB 3.34Å; T184-I187 PolarHBondContact O-N 3.45Å; T184-R188 WeakPolarHBondContact O-CG 3.22Å; T184-R188 PolarHBondContact O-N 3.08Å; T184-R188 VanDerWaalsContact O-N 3.12Å
185	G	77.9	Confident	84.7	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-54.1	-35.1	171.2	0	0	0	0	0	114	D182 I187 R188 L189 D233	D182-G185 PolarHBondContact O-N 3.47Å; D182-G185 PolarHBondContact OD1-N 3.04Å; G185-I187 VanDerWaalsContact C-N 3.33Å; G185-I187 PolarHBondContact O-N 2.92Å; G185-R188 WeakPolarHBondContact O-CB 3.5Å; G185-R188 PolarHBondContact O-N 3.1Å; G185-L189 WeakPolarHBondContact O-CB 3.23Å; G185-L189 WeakPolarHBondContact O-CG 3.46Å; G185-L189 PolarHBondContact O-N 2.56Å; G185-D233 WeakPolarHBondContact CA-OD2 3.37Å
186	L	81.6	Confident	84.3	Confident	55 Å²	55	36.5 Å²	36.5	29%	0.288	20%	0.195	S	C	.	.	H	α-helix	trans	-64.2	-37.1	175.5	-71.4	172	0	0	0	112.9	Y180 T184 L189 Q190 I193 I205	Y180-L186 HydrophobicContact CD1-CD2 3.85Å; Y180-L186 HydrophobicContact CD1-CG 4.27Å; Y180-L186 HydrophobicContact CD2-CG 4.21Å; Y180-L186 HydrophobicContact CE1-CD1 4.31Å; Y180-L186 HydrophobicContact CE1-CD2 3.58Å; Y180-L186 HydrophobicContact CE1-CG 3.96Å; Y180-L186 HydrophobicContact CE2-CD1 4.02Å; Y180-L186 HydrophobicContact CE2-CD2 4.41Å; Y180-L186 HydrophobicContact CE2-CG 3.87Å; Y180-L186 HydrophobicContact CG-CD2 4.4Å; Y180-L186 HydrophobicContact CG-CG 4.39Å; T184-L186 PolarHBondContact O-N 3.45Å; L186-L189 CarbonylContact O-C 3.46Å; L186-L189 PolarHBondContact O-N 2.92Å; L186-Q190 PolarHBondContact O-N 3.43Å; L186-I193 HydrophobicContact CD2-CD1 3.82Å; L186-I205 HydrophobicContact CD2-CG2 3.99Å
187	I	81.9	Confident	83.7	Confident	71 Å²	71	41 Å²	41	36%	0.364	23%	0.227	S	C	.	.	H	α-helix	trans	-70	-41.6	178.2	-55	172.8	0	0	0	109.1	W138 T184 G185 L189 Q190	W138-I187 HydrophobicContact CH2-CB 4.2Å; W138-I187 HydrophobicContact CH2-CG2 4.15Å; W138-I187 HydrophobicContact CZ2-CG2 4.17Å; T184-I187 WeakPolarHBondContact O-CB 3.34Å; T184-I187 PolarHBondContact O-N 3.45Å; G185-I187 VanDerWaalsContact C-N 3.33Å; G185-I187 PolarHBondContact O-N 2.92Å; I187-L189 PolarHBondContact O-N 3.47Å; I187-Q190 VanDerWaalsContact O-CB 3.31Å; I187-Q190 WeakPolarHBondContact O-CB 3.42Å; I187-Q190 PolarHBondContact O-N 3.41Å
188	R	81.7	Confident	83.1	Confident	46 Å²	46	50.9 Å²	50.9	17%	0.174	26%	0.263	C	S	.	.	H	α-helix	trans	-63.8	-29.5	177.7	-67.4	177.8	-18.2	174.5	-14.1	112.8	W138 Y157 T184 G185 D233	W138-R188 HydrophobicContact CD2-CG 4.08Å; W138-R188 HydrophobicContact CE3-CG 4.1Å; W138-R188 HydrophobicContact CH2-CG 3.81Å; W138-R188 HydrophobicContact CZ2-CG 3.79Å; W138-R188 HydrophobicContact CZ3-CG 4Å; Y157-R188 HydrophobicContact CD1-CB 3.38Å; Y157-R188 HydrophobicContact CD1-CG 3.4Å; Y157-R188 HydrophobicContact CE1-CB 3.71Å; Y157-R188 HydrophobicContact CE1-CG 3.42Å; Y157-R188 VanDerWaalsContact CE1-CG 3.42Å; Y157-R188 HydrophobicContact CG-CB 4.21Å; Y157-R188 HydrophobicContact CG-CG 3.98Å; Y157-R188 PolarHBondContact OH-NH1 2.91Å; T184-R188 WeakPolarHBondContact O-CG 3.22Å; T184-R188 PolarHBondContact O-N 3.08Å; T184-R188 VanDerWaalsContact O-N 3.12Å; G185-R188 WeakPolarHBondContact O-CB 3.5Å; G185-R188 PolarHBondContact O-N 3.1Å; R188-D233 IonicContact CZ-OD1 2.69Å; R188-D233 IonicContact CZ-OD2 2.82Å; R188-D233 IonicContact NE-OD2 3.71Å; R188-D233 IonicContact NH2-OD1 3.27Å; R188-D233 PolarHBondContact NH2-OD1 3.42Å; R188-D233 VanDerWaalsContact NH2-OD1 3.14Å; R188-D233 IonicContact NH2-OD2 2.9Å; R188-D233 PolarHBondContact NH2-OD2 3.22Å
189	L	83.4	Confident	82.6	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.021	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	14.7	179.8	-64.7	177.5	0	0	0	113.8	I164 V178 G185 L186 I187 E191 L192 I193 D233 T261	I164-L189 HydrophobicContact CD1-CD2 3.99Å; V178-L189 HydrophobicContact CG1-CD1 3.55Å; G185-L189 WeakPolarHBondContact O-CB 3.23Å; G185-L189 WeakPolarHBondContact O-CG 3.46Å; G185-L189 PolarHBondContact O-N 2.56Å; L186-L189 CarbonylContact O-C 3.46Å; L186-L189 PolarHBondContact O-N 2.92Å; I187-L189 PolarHBondContact O-N 3.47Å; L189-E191 VanDerWaalsContact C-N 3.34Å; L189-E191 PolarHBondContact O-N 2.88Å; L189-L192 HydrophobicContact CD2-CD2 4.3Å; L189-L192 WeakPolarHBondContact O-CB 3.22Å; L189-L192 PolarHBondContact O-N 3.35Å; L189-I193 HydrophobicContact CB-CD1 4.43Å; L189-I193 WeakPolarHBondContact O-CG1 3.48Å; L189-I193 PolarHBondContact O-N 2.83Å; L189-D233 HydrophobicContact CD1-CB 3.77Å; L189-T261 HydrophobicContact CD2-CG2 4.41Å
190	Q	83.9	Confident	82.2	Confident	87 Å²	87	60.5 Å²	60.5	41%	0.407	31%	0.31	S	S	.	.	H	α-helix	trans	-55.2	-44.8	-174.4	179.5	176.1	-18.8	0	0	113	L186 I187 L192 I193 M194	L186-Q190 PolarHBondContact O-N 3.43Å; I187-Q190 VanDerWaalsContact O-CB 3.31Å; I187-Q190 WeakPolarHBondContact O-CB 3.42Å; I187-Q190 PolarHBondContact O-N 3.41Å; Q190-L192 VanDerWaalsContact C-N 3.31Å; Q190-L192 PolarHBondContact O-N 3.11Å; Q190-I193 PolarHBondContact O-N 3.43Å; Q190-I193 VanDerWaalsContact O-N 3.16Å; Q190-M194 HydrophobicContact CG-CE 3.87Å; Q190-M194 HydrophobicContact CG-SD 4.3Å; Q190-M194 VanDerWaalsContact NE2-CE 3.27Å; Q190-M194 WeakPolarHBondContact O-CG 3.5Å; Q190-M194 PolarHBondContact O-N 2.75Å
191	E	82.2	Confident	81.9	Confident	43 Å²	43	59.8 Å²	59.8	20%	0.201	31%	0.308	C	S	.	.	H	α-helix	trans	-64.6	-35.7	179	-64.3	-63.5	123.4	0	0	112.2	S161 Y162 L189 M194 A195	S161-E191 VanDerWaalsContact OG-CB 3.26Å; S161-E191 WeakPolarHBondContact OG-CB 3.42Å; S161-E191 WeakPolarHBondContact OG-CG 3.34Å; Y162-E191 HydrophobicContact CE1-CB 4.35Å; Y162-E191 HydrophobicContact CE1-CG 4.24Å; Y162-E191 WeakPolarHBondContact CE1-OE2 3.4Å; Y162-E191 VanDerWaalsContact CZ-OE2 3.31Å; Y162-E191 PolarHBondContact OH-OE2 3.49Å; L189-E191 VanDerWaalsContact C-N 3.34Å; L189-E191 PolarHBondContact O-N 2.88Å; E191-M194 PolarHBondContact O-N 2.79Å; E191-A195 PolarHBondContact O-N 3.31Å
192	L	83.9	Confident	82	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-68.2	-37.4	175	-174.2	68.7	0	0	0	111.2	I164 L165 V178 L189 Q190 M194 A195 L203 I231	I164-L192 HydrophobicContact CG2-CD1 4.29Å; I164-L192 HydrophobicContact CG2-CD2 4Å; L165-L192 HydrophobicContact CB-CD1 4.5Å; L165-L192 HydrophobicContact CD1-CD1 4.28Å; V178-L192 HydrophobicContact CG2-CD2 4.12Å; L189-L192 HydrophobicContact CD2-CD2 4.3Å; L189-L192 WeakPolarHBondContact O-CB 3.22Å; L189-L192 PolarHBondContact O-N 3.35Å; Q190-L192 VanDerWaalsContact C-N 3.31Å; Q190-L192 PolarHBondContact O-N 3.11Å; L192-M194 VanDerWaalsContact C-N 3.32Å; L192-A195 WeakPolarHBondContact O-CB 3.2Å; L192-A195 PolarHBondContact O-N 3.43Å; L192-L203 VanDerWaalsContact O-CD1 3.24Å; L192-L203 WeakPolarHBondContact O-CD1 3.33Å; L192-I231 HydrophobicContact CD2-CD1 3.85Å
193	I	85.3	Confident	82.3	Confident	53 Å²	53	66.7 Å²	66.7	27%	0.272	33%	0.33	S	S	.	.	H	α-helix	trans	-69.5	-31.7	175.9	-65	167.3	0	0	0	111.2	L186 L189 Q190 P196 I205	L186-I193 HydrophobicContact CD2-CD1 3.82Å; L189-I193 HydrophobicContact CB-CD1 4.43Å; L189-I193 WeakPolarHBondContact O-CG1 3.48Å; L189-I193 PolarHBondContact O-N 2.83Å; Q190-I193 PolarHBondContact O-N 3.43Å; Q190-I193 VanDerWaalsContact O-N 3.16Å; I193-P196 WeakPolarHBondContact O-CD 3.36Å; I193-I205 HydrophobicContact CG1-CD1 4.33Å; I193-I205 HydrophobicContact CG2-CD1 4.26Å
194	M	85.1	Confident	82.9	Confident	98 Å²	98	67.4 Å²	67.4	48%	0.483	32%	0.323	S	S	.	.	H	α-helix	trans	-79.2	-18.6	174.2	-70	-172.8	177.1	0	0	113.1	Q190 E191 L192 S197	Q190-M194 HydrophobicContact CG-CE 3.87Å; Q190-M194 HydrophobicContact CG-SD 4.3Å; Q190-M194 VanDerWaalsContact NE2-CE 3.27Å; Q190-M194 WeakPolarHBondContact O-CG 3.5Å; Q190-M194 PolarHBondContact O-N 2.75Å; E191-M194 PolarHBondContact O-N 2.79Å; L192-M194 VanDerWaalsContact C-N 3.32Å; M194-S197 WeakPolarHBondContact O-CB 3.2Å; M194-S197 PolarHBondContact O-N 3.27Å; M194-S197 VanDerWaalsContact O-N 3.14Å; M194-S197 PolarHBondContact O-OG 3.38Å
195	A	77.1	Confident	83.5	Confident	5 Å²	5	69.2 Å²	69.2	4%	0.041	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-54	-35.4	-179	0	0	0	0	0	116.3	L165 E191 L192 S197 R198 Y199	L165-A195 HydrophobicContact CD1-CB 3.51Å; L165-A195 HydrophobicContact CD2-CB 4.29Å; E191-A195 PolarHBondContact O-N 3.31Å; L192-A195 WeakPolarHBondContact O-CB 3.2Å; L192-A195 PolarHBondContact O-N 3.43Å; A195-S197 PolarHBondContact O-N 2.89Å; A195-R198 PolarHBondContact O-N 2.92Å; A195-Y199 PolarHBondContact O-N 3.46Å
196	P	79.3	Confident	84	Confident	54 Å²	54	70.6 Å²	70.6	35%	0.351	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-53.9	-26	175.8	-28.1	36.5	0	0	0	114.9	I193 R198 Y199 I201 L203	I193-P196 WeakPolarHBondContact O-CD 3.36Å; P196-R198 VanDerWaalsContact C-N 3.31Å; P196-Y199 CarbonylContact C-O 3.4Å; P196-Y199 WeakPolarHBondContact CA-O 3.09Å; P196-Y199 VanDerWaalsContact O-O 3.11Å; P196-I201 HydrophobicContact CB-CG2 4.42Å; P196-I201 HydrophobicContact CG-CG2 4.06Å; P196-L203 HydrophobicContact CG-CD1 3.5Å; P196-L203 VanDerWaalsContact CG-CD1 3.5Å; P196-L203 HydrophobicContact CG-CG 4.16Å
197	S	79.4	Confident	84.4	Confident	100 Å²	100	71.8 Å²	71.8	70%	0.699	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-70.2	-27.3	176.5	66.4	0	0	0	0	113.1	M194 A195	M194-S197 WeakPolarHBondContact O-CB 3.2Å; M194-S197 PolarHBondContact O-N 3.27Å; M194-S197 VanDerWaalsContact O-N 3.14Å; M194-S197 PolarHBondContact O-OG 3.38Å; A195-S197 PolarHBondContact O-N 2.89Å
198	R	80.7	Confident	84.7	Confident	213 Å²	213	68.6 Å²	68.6	80%	0.804	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-28.2	-176	-59.1	-177	-174.6	179.7	4	112.7	A195 P196	A195-R198 PolarHBondContact O-N 2.92Å; P196-R198 VanDerWaalsContact C-N 3.31Å
199	Y	81.3	Confident	84.7	Confident	61 Å²	61	68.7 Å²	68.7	24%	0.239	33%	0.33	C	S	.	.	S	Bend	trans	-128.5	130.7	-178.4	-177.9	-113.2	0	0	0	108.8	Q169 W173 A195 P196 I201	Q169-Y199 HydrophobicContact CG-CD2 4.48Å; W173-Y199 VanDerWaalsContact O-CE1 3.28Å; W173-Y199 WeakPolarHBondContact O-CE1 3.34Å; A195-Y199 PolarHBondContact O-N 3.46Å; P196-Y199 CarbonylContact C-O 3.4Å; P196-Y199 WeakPolarHBondContact CA-O 3.09Å; P196-Y199 VanDerWaalsContact O-O 3.11Å; Y199-I201 HydrophobicContact CD1-CB 3.65Å; Y199-I201 HydrophobicContact CD1-CG2 3.79Å; Y199-I201 HydrophobicContact CE1-CB 3.94Å; Y199-I201 HydrophobicContact CE1-CD1 4.48Å; Y199-I201 PolarHBondContact O-N 3.12Å
200	N	83.9	Confident	84	Confident	141 Å²	141	74 Å²	74	75%	0.754	36%	0.357	S	S	*	.			trans	-74.5	69.6	-175.5	-169.8	9.8	0	0	0	111.9
201	I	86.3	Confident	83.3	Confident	9 Å²	9	77.5 Å²	77.5	5%	0.046	38%	0.379	C	S	.	.			trans	-112.8	132.4	176.5	-172.1	169.5	0	0	0	110.1	V168 W173 K174 A176 P196 Y199 L203	V168-I201 HydrophobicContact CG1-CD1 3.55Å; W173-I201 HydrophobicContact CB-CD1 4.41Å; K174-I201 WeakPolarHBondContact O-CA 3.42Å; A176-I201 HydrophobicContact CB-CD1 3.99Å; P196-I201 HydrophobicContact CB-CG2 4.42Å; P196-I201 HydrophobicContact CG-CG2 4.06Å; Y199-I201 HydrophobicContact CD1-CB 3.65Å; Y199-I201 HydrophobicContact CD1-CG2 3.79Å; Y199-I201 HydrophobicContact CE1-CB 3.94Å; Y199-I201 HydrophobicContact CE1-CD1 4.48Å; Y199-I201 PolarHBondContact O-N 3.12Å; I201-L203 HydrophobicContact CD1-CD2 4.35Å; I201-L203 HydrophobicContact CG1-CG 4.48Å; I201-L203 HydrophobicContact CG2-CG 4.44Å
202	R	87.9	Confident	82.8	Confident	192 Å²	192	79.2 Å²	79.2	73%	0.725	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	112.3	172.2	-59.2	-178.5	-173.8	178.6	0.7	109	K174 T175 A176	K174-R202 PolarHBondContact O-N 3.33Å; T175-R202 CarbonylContact C-O 3.24Å; T175-R202 VanDerWaalsContact CA-O 3.32Å; T175-R202 WeakPolarHBondContact CA-O 3.43Å; T175-R202 HydrophobicContact CG2-CB 4.27Å; A176-R202 PolarHBondContact N-O 3.31Å
203	L	88.6	Confident	82.1	Confident	39 Å²	39	85.9 Å²	85.9	20%	0.204	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	134.8	176.9	-72.9	166.7	0	0	0	110.7	A176 V178 L192 P196 I201	A176-L203 HydrophobicContact CB-CD2 3.84Å; A176-L203 WeakPolarHBondContact O-CA 3.24Å; V178-L203 HydrophobicContact CG2-CD2 3.91Å; L192-L203 VanDerWaalsContact O-CD1 3.24Å; L192-L203 WeakPolarHBondContact O-CD1 3.33Å; P196-L203 HydrophobicContact CG-CD1 3.5Å; P196-L203 VanDerWaalsContact CG-CD1 3.5Å; P196-L203 HydrophobicContact CG-CG 4.16Å; I201-L203 HydrophobicContact CD1-CD2 4.35Å; I201-L203 HydrophobicContact CG1-CG 4.48Å; I201-L203 HydrophobicContact CG2-CG 4.44Å
204	K	90.7	Very high	81.8	Confident	99 Å²	99	85.6 Å²	85.6	43%	0.43	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	137.1	162.8	-68.7	-176.6	-175.8	-176.8	0	108.5	A176 T177 V178 E227	A176-K204 PolarHBondContact O-N 3.1Å; T177-K204 CarbonylContact C-O 3.37Å; T177-K204 VanDerWaalsContact CA-O 3.32Å; T177-K204 WeakPolarHBondContact CA-O 3.47Å; T177-K204 HydrophobicContact CG2-CB 4.1Å; V178-K204 PolarHBondContact N-O 3.4Å; K204-E227 HydrophobicContact CD-CG 4.47Å; K204-E227 WeakPolarHBondContact CD-OE1 3.44Å; K204-E227 IonicContact NZ-OE1 3.16Å; K204-E227 PolarHBondContact NZ-OE1 3.47Å
205	I	90.7	Very high	81.7	Confident	83 Å²	83	81 Å²	81	43%	0.426	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.6	-175.7	-60.5	171.7	0	0	0	107.3	Y180 L186 I193	Y180-I205 HydrophobicContact CD1-CG2 4.05Å; Y180-I205 HydrophobicContact CE1-CG2 3.52Å; L186-I205 HydrophobicContact CD2-CG2 3.99Å; I193-I205 HydrophobicContact CG1-CD1 4.33Å; I193-I205 HydrophobicContact CG2-CD1 4.26Å
206	R	89.5	Confident	82.2	Confident	29 Å²	29	86.8 Å²	86.8	11%	0.109	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141.4	-178.7	-67.5	174.5	179.1	-96.2	-0.5	109.2	T177 V178 V179 Y180 L218 E221 S225 E227	T177-R206 HydrophobicContact CG2-CG 4.26Å; V178-R206 PolarHBondContact O-N 2.75Å; V179-R206 WeakPolarHBondContact CA-O 3.48Å; V179-R206 HydrophobicContact CG2-CB 4.33Å; Y180-R206 WeakPolarHBondContact CD1-O 3.45Å; Y180-R206 WeakPolarHBondContact CE1-O 3.25Å; Y180-R206 PolarHBondContact N-O 2.72Å; Y180-R206 VanDerWaalsContact N-O 3.1Å; R206-L218 HydrophobicContact CB-CD1 4.34Å; R206-L218 HydrophobicContact CG-CD1 4.45Å; R206-E221 IonicContact CZ-OE1 3.97Å; R206-E221 IonicContact CZ-OE2 3.69Å; R206-E221 IonicContact NH1-OE1 2.75Å; R206-E221 PolarHBondContact NH1-OE1 3.05Å; R206-E221 IonicContact NH1-OE2 3.11Å; R206-E221 PolarHBondContact NH1-OE2 3.15Å; R206-E221 IonicContact NH2-OE1 3.39Å; R206-S225 PolarHBondContact NH2-OG 3.31Å; R206-E227 IonicContact CZ-OE1 3.91Å; R206-E227 IonicContact CZ-OE2 3.73Å; R206-E227 IonicContact NE-OE1 3.49Å; R206-E227 PolarHBondContact NE-OE1 2.89Å; R206-E227 IonicContact NE-OE2 3.9Å; R206-E227 PolarHBondContact NE-OE2 3.1Å; R206-E227 IonicContact NH2-OE1 2.88Å; R206-E227 PolarHBondContact NH2-OE1 3.49Å; R206-E227 IonicContact NH2-OE2 3.98Å; R206-E227 PolarHBondContact NH2-OE2 3.11Å
207	Q	89.9	Confident	82.6	Confident	80 Å²	80	88.4 Å²	88.4	37%	0.374	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	141.9	174.6	-167.2	173.6	-0.1	0	0	110.3	Y180	Y180-Q207 HydrophobicContact CD2-CG 4.09Å; Y180-Q207 HydrophobicContact CE1-CB 4.12Å; Y180-Q207 HydrophobicContact CE2-CB 3.91Å; Y180-Q207 HydrophobicContact CE2-CG 3.49Å; Y180-Q207 VanDerWaalsContact CE2-CG 3.49Å; Y180-Q207 WeakPolarHBondContact O-CA 3.45Å
208	L	87.4	Confident	83.1	Confident	4 Å²	4	84.9 Å²	84.9	2%	0.021	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-72.7	142.6	168.8	-67.4	168.1	0	0	0	110.2	V179 Y180 D181 L210 T215 L218 C234 M238 I242	V179-L208 HydrophobicContact CG1-CD1 4.19Å; V179-L208 HydrophobicContact CG1-CD2 3.54Å; V179-L208 HydrophobicContact CG1-CG 3.6Å; Y180-L208 PolarHBondContact O-N 3.09Å; D181-L208 HydrophobicContact CB-CD1 4.25Å; L208-L210 PolarHBondContact O-N 3.4Å; L208-T215 HydrophobicContact CD2-CG2 4Å; L208-L218 HydrophobicContact CD2-CD2 3.99Å; L208-C234 HydrophobicContact CD1-CB 4.01Å; L208-M238 HydrophobicContact CD1-CG 3.97Å; L208-I242 HydrophobicContact CD1-CD1 3.77Å; L208-I242 HydrophobicContact CD2-CD1 3.97Å
209	P	81.4	Confident	83.4	Confident	48 Å²	48	74.9 Å²	74.9	31%	0.312	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-64.7	121.1	178.4	25.7	-31.8	0	0	0	110.6
210	L	70.3	Confident	83.7	Confident	115 Å²	115	78.9 Å²	78.9	60%	0.602	39%	0.386	S	S	*	.	S	Bend	trans	-71.9	-30.7	-179.5	-66.3	166.1	0	0	0	112.7	L208	L208-L210 PolarHBondContact O-N 3.4Å
211	D	67.8	Low	83.9	Confident	161 Å²	161	76.2 Å²	76.2	86%	0.861	37%	0.369	S	S	*	.	S	Bend	trans	-89.7	-14.9	-169.7	-58.8	-39	0	0	0	113.7
212	T	71.7	Confident	84	Confident	79 Å²	79	75.8 Å²	75.8	49%	0.485	37%	0.367	S	S	.	.			trans	-139.6	131.1	-176.1	58	0	0	0	0	111.5	D214	T212-D214 PolarHBondContact O-N 3.5Å
213	E	69.1	Low	83.9	Confident	140 Å²	140	70.8 Å²	70.8	65%	0.654	35%	0.35	S	S	*	.	S	Bend	trans	-60.4	-6.7	167.6	-94.4	-167.7	-146.4	0	0	114.4	Q241 Q245	E213-Q241 VanDerWaalsContact O-CD 3.27Å; E213-Q241 PolarHBondContact O-NE2 3.14Å; E213-Q241 PolarHBondContact OE2-NE2 3.31Å; E213-Q241 VanDerWaalsContact OE2-NE2 3.08Å; E213-Q245 PolarHBondContact O-NE2 3.11Å
214	D	79.9	Confident	83.6	Confident	47 Å²	47	78.3 Å²	78.3	25%	0.251	38%	0.376	S	S	.	.			trans	-93	103.6	178.7	-170	8	0	0	0	112.7	T212 R216	T212-D214 PolarHBondContact O-N 3.5Å; D214-R216 WeakPolarHBondContact OD1-CB 3.22Å; D214-R216 WeakPolarHBondContact OD1-CD 3.36Å; D214-R216 WeakPolarHBondContact OD1-CG 3.5Å; D214-R216 IonicContact OD1-CZ 3.53Å; D214-R216 PolarHBondContact OD1-N 3.45Å; D214-R216 IonicContact OD1-NE 2.64Å; D214-R216 PolarHBondContact OD1-NE 3.2Å; D214-R216 IonicContact OD1-NH2 2.83Å; D214-R216 IonicContact OD2-CZ 3.17Å; D214-R216 VanDerWaalsContact OD2-CZ 3.26Å; D214-R216 IonicContact OD2-NE 3.76Å; D214-R216 PolarHBondContact OD2-NE 2.82Å; D214-R216 IonicContact OD2-NH2 3.53Å; D214-R216 PolarHBondContact OD2-NH2 3.01Å
215	T	83.8	Confident	83.2	Confident	2 Å²	2	75.6 Å²	75.6	1%	0.012	37%	0.369	C	S	.	.			trans	-92.5	-1.9	177.2	75.5	0	0	0	0	112.9	L208 P217 L218 L219 M238 I242 Q245	L208-T215 HydrophobicContact CD2-CG2 4Å; T215-P217 VanDerWaalsContact C-CD 3.4Å; T215-L218 WeakPolarHBondContact O-CB 3.38Å; T215-L218 PolarHBondContact O-N 3.07Å; T215-L218 VanDerWaalsContact O-N 3.11Å; T215-L219 WeakPolarHBondContact O-CG 3.4Å; T215-L219 PolarHBondContact O-N 3.19Å; T215-M238 HydrophobicContact CG2-SD 4.34Å; T215-I242 HydrophobicContact CG2-CG1 4.22Å; T215-Q245 PolarHBondContact OG1-OE1 3.26Å
216	R	86.1	Confident	82.8	Confident	126 Å²	126	76.9 Å²	76.9	48%	0.475	37%	0.369	S	S	.	.	H	α-helix	trans	-54.8	-38.6	-177	-65.6	175.1	-65.2	-172.9	-1.8	114.4	D214 L218 L219 K220 Q245 M249	D214-R216 WeakPolarHBondContact OD1-CB 3.22Å; D214-R216 WeakPolarHBondContact OD1-CD 3.36Å; D214-R216 WeakPolarHBondContact OD1-CG 3.5Å; D214-R216 IonicContact OD1-CZ 3.53Å; D214-R216 PolarHBondContact OD1-N 3.45Å; D214-R216 IonicContact OD1-NE 2.64Å; D214-R216 PolarHBondContact OD1-NE 3.2Å; D214-R216 IonicContact OD1-NH2 2.83Å; D214-R216 IonicContact OD2-CZ 3.17Å; D214-R216 VanDerWaalsContact OD2-CZ 3.26Å; D214-R216 IonicContact OD2-NE 3.76Å; D214-R216 PolarHBondContact OD2-NE 2.82Å; D214-R216 IonicContact OD2-NH2 3.53Å; D214-R216 PolarHBondContact OD2-NH2 3.01Å; R216-L218 PolarHBondContact O-N 3.13Å; R216-L219 PolarHBondContact O-N 3.4Å; R216-K220 WeakPolarHBondContact O-CB 3.34Å; R216-K220 PolarHBondContact O-N 3Å; R216-Q245 HydrophobicContact CG-CB 4.24Å; R216-Q245 HydrophobicContact CG-CG 4.24Å; R216-M249 HydrophobicContact CG-CG 4.46Å
217	P	88.3	Confident	82.7	Confident	88 Å²	88	75.9 Å²	75.9	57%	0.571	37%	0.365	S	S	*	.	H	α-helix	trans	-61.3	-43.3	177.5	-23.9	35	0	0	0	112.4	T215 K220 E221	T215-P217 VanDerWaalsContact C-CD 3.4Å; P217-K220 PolarHBondContact O-N 3.23Å; P217-E221 PolarHBondContact O-N 2.78Å; P217-E221 VanDerWaalsContact O-N 3.09Å
218	L	88.9	Confident	82.6	Confident	26 Å²	26	74.3 Å²	74.3	14%	0.136	36%	0.357	C	S	.	.	H	α-helix	trans	-65	-48.6	176.8	-176.2	67.5	0	0	0	110.3	V179 R206 L208 T215 R216 K220 E221 M222	V179-L218 HydrophobicContact CG1-CD2 4.37Å; R206-L218 HydrophobicContact CB-CD1 4.34Å; R206-L218 HydrophobicContact CG-CD1 4.45Å; L208-L218 HydrophobicContact CD2-CD2 3.99Å; T215-L218 WeakPolarHBondContact O-CB 3.38Å; T215-L218 PolarHBondContact O-N 3.07Å; T215-L218 VanDerWaalsContact O-N 3.11Å; R216-L218 PolarHBondContact O-N 3.13Å; L218-K220 VanDerWaalsContact C-N 3.27Å; L218-K220 PolarHBondContact O-N 3.44Å; L218-E221 WeakPolarHBondContact O-CB 3.45Å; L218-E221 PolarHBondContact O-N 3.11Å; L218-M222 HydrophobicContact CD2-SD 4.41Å; L218-M222 HydrophobicContact CG-CG 4.43Å; L218-M222 HydrophobicContact CG-SD 3.98Å; L218-M222 VanDerWaalsContact O-CG 3.25Å; L218-M222 WeakPolarHBondContact O-CG 3.48Å; L218-M222 PolarHBondContact O-N 3.18Å
219	L	88.7	Confident	82.8	Confident	4 Å²	4	78.3 Å²	78.3	2%	0.021	37%	0.372	C	S	.	.	H	α-helix	trans	-57.2	-40	176.9	-68	178.9	0	0	0	112.1	T215 R216 E221 M222 K223 Q245 M251	T215-L219 WeakPolarHBondContact O-CG 3.4Å; T215-L219 PolarHBondContact O-N 3.19Å; R216-L219 PolarHBondContact O-N 3.4Å; L219-E221 VanDerWaalsContact C-N 3.35Å; L219-E221 PolarHBondContact O-N 2.96Å; L219-M222 HydrophobicContact CD2-SD 4.26Å; L219-M222 PolarHBondContact O-N 3.4Å; L219-K223 WeakPolarHBondContact O-CB 3.39Å; L219-K223 PolarHBondContact O-N 3.16Å; L219-Q245 HydrophobicContact CD1-CB 3.89Å; L219-M251 HydrophobicContact CB-SD 3.75Å; L219-M251 HydrophobicContact CD2-CE 4.17Å; L219-M251 HydrophobicContact CD2-SD 4.19Å; L219-M251 HydrophobicContact CG-SD 4.46Å; L219-M251 VanDerWaalsContact O-SD 3.41Å
220	K	86.8	Confident	83.4	Confident	145 Å²	145	76 Å²	76	63%	0.63	36%	0.357	S	S	*	.	H	α-helix	trans	-63.9	-40.2	175.8	-172.1	176.2	-178.7	177.6	0	112	R216 P217 L218 R224 M249	R216-K220 WeakPolarHBondContact O-CB 3.34Å; R216-K220 PolarHBondContact O-N 3Å; P217-K220 PolarHBondContact O-N 3.23Å; L218-K220 VanDerWaalsContact C-N 3.27Å; L218-K220 PolarHBondContact O-N 3.44Å; K220-R224 WeakPolarHBondContact O-CB 3.3Å; K220-R224 PolarHBondContact O-N 3.05Å; K220-M249 HydrophobicContact CB-CE 3.81Å; K220-M249 HydrophobicContact CG-CE 4.27Å
221	E	88	Confident	84.5	Confident	85 Å²	85	70.6 Å²	70.6	40%	0.397	33%	0.329	S	S	.	.	H	α-helix	trans	-66.9	-43.9	175.7	-160.5	-154.8	153.2	0	0	111.6	R206 P217 L218 L219 K223 R224 S225	R206-E221 IonicContact CZ-OE1 3.97Å; R206-E221 IonicContact CZ-OE2 3.69Å; R206-E221 IonicContact NH1-OE1 2.75Å; R206-E221 PolarHBondContact NH1-OE1 3.05Å; R206-E221 IonicContact NH1-OE2 3.11Å; R206-E221 PolarHBondContact NH1-OE2 3.15Å; R206-E221 IonicContact NH2-OE1 3.39Å; P217-E221 PolarHBondContact O-N 2.78Å; P217-E221 VanDerWaalsContact O-N 3.09Å; L218-E221 WeakPolarHBondContact O-CB 3.45Å; L218-E221 PolarHBondContact O-N 3.11Å; L219-E221 VanDerWaalsContact C-N 3.35Å; L219-E221 PolarHBondContact O-N 2.96Å; E221-K223 PolarHBondContact O-N 3.2Å; E221-R224 WeakPolarHBondContact O-CB 3.46Å; E221-R224 PolarHBondContact O-N 2.87Å; E221-S225 WeakPolarHBondContact O-CB 3.48Å; E221-S225 PolarHBondContact O-N 3.45Å; E221-S225 PolarHBondContact O-OG 3.39Å
222	M	89.3	Confident	85.7	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-58.8	-47.4	176.1	-67.1	173.3	71.3	0	0	110.9	T177 V179 L218 L219 R224 S225 R226 E227 I230 M251	T177-M222 HydrophobicContact CG2-CE 4.28Å; V179-M222 HydrophobicContact CG2-CE 3.68Å; V179-M222 HydrophobicContact CG2-SD 4.17Å; L218-M222 HydrophobicContact CD2-SD 4.41Å; L218-M222 HydrophobicContact CG-CG 4.43Å; L218-M222 HydrophobicContact CG-SD 3.98Å; L218-M222 VanDerWaalsContact O-CG 3.25Å; L218-M222 WeakPolarHBondContact O-CG 3.48Å; L218-M222 PolarHBondContact O-N 3.18Å; L219-M222 HydrophobicContact CD2-SD 4.26Å; L219-M222 PolarHBondContact O-N 3.4Å; M222-R224 PolarHBondContact O-N 3.4Å; M222-S225 WeakPolarHBondContact CA-OG 3.36Å; M222-S225 CarbonylContact O-C 3.55Å; M222-S225 PolarHBondContact O-N 3.37Å; M222-S225 VanDerWaalsContact O-N 3.11Å; M222-S225 PolarHBondContact O-OG 2.83Å; M222-R226 PolarHBondContact O-N 3.12Å; M222-E227 HydrophobicContact CB-CB 4.43Å; M222-E227 WeakPolarHBondContact CG-OE2 3.33Å; M222-E227 PolarHBondContact O-N 3.11Å; M222-I230 HydrophobicContact CE-CB 4.39Å; M222-I230 HydrophobicContact CE-CD1 3.37Å; M222-I230 HydrophobicContact CE-CG1 3.62Å; M222-I230 HydrophobicContact CE-CG2 3.82Å; M222-M251 HydrophobicContact CB-CE 4.38Å
223	K	85.1	Confident	86.7	Confident	87 Å²	87	59.7 Å²	59.7	38%	0.378	27%	0.267	S	S	.	.	H	α-helix	trans	-57.5	-46	174.1	-172.3	173.6	-172.9	171.5	0	111.8	L219 E221 S225 R226 M249 M251	L219-K223 WeakPolarHBondContact O-CB 3.39Å; L219-K223 PolarHBondContact O-N 3.16Å; E221-K223 PolarHBondContact O-N 3.2Å; K223-S225 VanDerWaalsContact C-N 3.28Å; K223-S225 PolarHBondContact O-N 3.03Å; K223-R226 PolarHBondContact O-N 3.27Å; K223-R226 VanDerWaalsContact O-N 3.15Å; K223-M249 PolarHBondContact NZ-O 3.23Å; K223-M251 HydrophobicContact CB-SD 4.11Å; K223-M251 HydrophobicContact CD-CG 4.17Å
224	R	82.9	Confident	87.6	Confident	196 Å²	196	53.4 Å²	53.4	74%	0.74	24%	0.239	S	C	*	.	H	α-helix	trans	-61.3	-37.7	176.4	-175.2	178.6	67.3	176.9	-0.4	112.1	K220 E221 M222 R226	K220-R224 WeakPolarHBondContact O-CB 3.3Å; K220-R224 PolarHBondContact O-N 3.05Å; E221-R224 WeakPolarHBondContact O-CB 3.46Å; E221-R224 PolarHBondContact O-N 2.87Å; M222-R224 PolarHBondContact O-N 3.4Å; R224-R226 VanDerWaalsContact C-N 3.27Å; R224-R226 PolarHBondContact O-N 3.03Å
225	S	82.5	Confident	87.9	Confident	42 Å²	42	53.6 Å²	53.6	29%	0.294	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	1	179	67.8	0	0	0	0	114.8	R206 E221 M222 K223 E227	R206-S225 PolarHBondContact NH2-OG 3.31Å; E221-S225 WeakPolarHBondContact O-CB 3.48Å; E221-S225 PolarHBondContact O-N 3.45Å; E221-S225 PolarHBondContact O-OG 3.39Å; M222-S225 WeakPolarHBondContact CA-OG 3.36Å; M222-S225 CarbonylContact O-C 3.55Å; M222-S225 PolarHBondContact O-N 3.37Å; M222-S225 VanDerWaalsContact O-N 3.11Å; M222-S225 PolarHBondContact O-OG 2.83Å; K223-S225 VanDerWaalsContact C-N 3.28Å; K223-S225 PolarHBondContact O-N 3.03Å; S225-E227 VanDerWaalsContact OG-CG 3.31Å; S225-E227 WeakPolarHBondContact OG-CG 3.38Å; S225-E227 PolarHBondContact OG-OE1 2.93Å
226	R	81.2	Confident	87.9	Confident	110 Å²	110	54.9 Å²	54.9	42%	0.415	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	47.5	177.3	-52.8	-178	-169.8	-170.9	-2.1	113.2	M222 K223 R224 F228	M222-R226 PolarHBondContact O-N 3.12Å; K223-R226 PolarHBondContact O-N 3.27Å; K223-R226 VanDerWaalsContact O-N 3.15Å; R224-R226 VanDerWaalsContact C-N 3.27Å; R224-R226 PolarHBondContact O-N 3.03Å; R226-F228 HydrophobicContact CB-CE2 3.87Å; R226-F228 HydrophobicContact CB-CZ 4.13Å; R226-F228 WeakPolarHBondContact O-CD2 2.95Å; R226-F228 PolarHBondContact O-N 3.21Å
227	E	87.9	Confident	87.9	Confident	9 Å²	9	54.3 Å²	54.3	4%	0.042	25%	0.252	C	S	.	.			trans	-89.3	102	178.3	-70.6	170.2	-170.3	0	0	109.7	T177 K204 R206 M222 S225 I230 Y256	T177-E227 WeakPolarHBondContact CG2-OE2 3.37Å; T177-E227 WeakPolarHBondContact OG1-CG 3.3Å; T177-E227 PolarHBondContact OG1-OE2 2.62Å; K204-E227 HydrophobicContact CD-CG 4.47Å; K204-E227 WeakPolarHBondContact CD-OE1 3.44Å; K204-E227 IonicContact NZ-OE1 3.16Å; K204-E227 PolarHBondContact NZ-OE1 3.47Å; R206-E227 IonicContact CZ-OE1 3.91Å; R206-E227 IonicContact CZ-OE2 3.73Å; R206-E227 IonicContact NE-OE1 3.49Å; R206-E227 PolarHBondContact NE-OE1 2.89Å; R206-E227 IonicContact NE-OE2 3.9Å; R206-E227 PolarHBondContact NE-OE2 3.1Å; R206-E227 IonicContact NH2-OE1 2.88Å; R206-E227 PolarHBondContact NH2-OE1 3.49Å; R206-E227 IonicContact NH2-OE2 3.98Å; R206-E227 PolarHBondContact NH2-OE2 3.11Å; M222-E227 HydrophobicContact CB-CB 4.43Å; M222-E227 WeakPolarHBondContact CG-OE2 3.33Å; M222-E227 PolarHBondContact O-N 3.11Å; S225-E227 VanDerWaalsContact OG-CG 3.31Å; S225-E227 WeakPolarHBondContact OG-CG 3.38Å; S225-E227 PolarHBondContact OG-OE1 2.93Å; E227-I230 HydrophobicContact CB-CD1 4.5Å; E227-I230 HydrophobicContact CB-CG1 4.46Å; E227-I230 VanDerWaalsContact O-CD1 3.26Å; E227-I230 WeakPolarHBondContact O-CD1 3.49Å; E227-Y256 VanDerWaalsContact O-CE1 3.27Å; E227-Y256 WeakPolarHBondContact O-CE1 3.49Å
228	F	87.1	Confident	87.8	Confident	46 Å²	46	51.4 Å²	51.4	20%	0.202	23%	0.231	C	C	.	.			trans	-98.2	-20.5	-177.5	-59.8	-68.6	0	0	0	114.2	R226 Y255 Y256 H257 H525	R226-F228 HydrophobicContact CB-CE2 3.87Å; R226-F228 HydrophobicContact CB-CZ 4.13Å; R226-F228 WeakPolarHBondContact O-CD2 2.95Å; R226-F228 PolarHBondContact O-N 3.21Å; F228-Y255 WeakPolarHBondContact CB-O 3.42Å; F228-Y256 HydrophobicContact CD1-CD1 4.32Å; F228-Y256 HydrophobicContact CD1-CE1 4.07Å; F228-Y256 HydrophobicContact CD1-CE2 4.32Å; F228-Y256 WeakPolarHBondContact O-CA 3.41Å; F228-H257 PolarHBondContact O-N 2.94Å; F228-H525 AromaticContact CE1-NE2 3.86Å; F228-H525 AromaticContact CZ-CD2 3.88Å; F228-H525 AromaticContact CZ-NE2 3.34Å; F228-H525 VanDerWaalsContact CZ-NE2 3.34Å; F228-H525 WeakPolarHBondContact CZ-NE2 3.49Å
229	R	92.1	Very high	87.8	Confident	89 Å²	89	50.2 Å²	50.2	34%	0.336	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	101.3	-175.1	-74.5	166	-86.3	-155.8	-7.7	108.2	W173 T175 T177	W173-R229 HydrophobicContact CD2-CB 4.11Å; W173-R229 HydrophobicContact CD2-CG 3.99Å; W173-R229 HydrophobicContact CE3-CB 3.98Å; W173-R229 HydrophobicContact CE3-CG 4.38Å; W173-R229 HydrophobicContact CG-CG 4.45Å; W173-R229 HydrophobicContact CH2-CB 3.95Å; W173-R229 HydrophobicContact CH2-CG 4.25Å; W173-R229 HydrophobicContact CZ2-CB 4.15Å; W173-R229 HydrophobicContact CZ2-CG 3.93Å; W173-R229 HydrophobicContact CZ3-CB 3.89Å; W173-R229 HydrophobicContact CZ3-CG 4.48Å; T175-R229 WeakPolarHBondContact O-CD 3.44Å; T175-R229 PolarHBondContact O-NE 3.22Å; T175-R229 PolarHBondContact OG1-NE 3.11Å; T175-R229 PolarHBondContact OG1-NH2 3.06Å; T175-R229 VanDerWaalsContact OG1-NH2 3.14Å; T177-R229 PolarHBondContact N-O 3.16Å
230	I	94.3	Very high	87.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.5	-168.2	-61.7	155.3	0	0	0	109.4	T177 V179 M222 E227 F232 Y256 H257 Y258 I259	T177-I230 CarbonylContact O-C 3.59Å; T177-I230 WeakPolarHBondContact O-CA 3.42Å; V179-I230 HydrophobicContact CG2-CG2 3.84Å; M222-I230 HydrophobicContact CE-CB 4.39Å; M222-I230 HydrophobicContact CE-CD1 3.37Å; M222-I230 HydrophobicContact CE-CG1 3.62Å; M222-I230 HydrophobicContact CE-CG2 3.82Å; E227-I230 HydrophobicContact CB-CD1 4.5Å; E227-I230 HydrophobicContact CB-CG1 4.46Å; E227-I230 VanDerWaalsContact O-CD1 3.26Å; E227-I230 WeakPolarHBondContact O-CD1 3.49Å; I230-F232 HydrophobicContact CB-CE2 4.39Å; I230-F232 HydrophobicContact CB-CZ 4.48Å; I230-F232 HydrophobicContact CG2-CD1 4.2Å; I230-F232 HydrophobicContact CG2-CD2 4.08Å; I230-F232 HydrophobicContact CG2-CE1 3.77Å; I230-F232 HydrophobicContact CG2-CE2 3.67Å; I230-F232 HydrophobicContact CG2-CG 4.33Å; I230-F232 HydrophobicContact CG2-CZ 3.49Å; I230-F232 VanDerWaalsContact CG2-CZ 3.49Å; I230-Y256 HydrophobicContact CD1-CD1 4.35Å; I230-Y256 HydrophobicContact CD1-CE1 4.45Å; I230-H257 PolarHBondContact N-O 3.31Å; I230-H257 VanDerWaalsContact N-O 3.14Å; I230-Y258 HydrophobicContact CB-CD1 3.92Å; I230-Y258 HydrophobicContact CB-CE1 4.08Å; I230-Y258 HydrophobicContact CD1-CD1 4.4Å; I230-Y258 HydrophobicContact CD1-CE1 3.69Å; I230-Y258 HydrophobicContact CG1-CE1 4.44Å; I230-Y258 HydrophobicContact CG2-CD1 4.48Å; I230-Y258 WeakPolarHBondContact O-CA 3.4Å; I230-I259 PolarHBondContact O-N 3.38Å
231	I	93.8	Very high	87.8	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119.9	176.6	-54.2	175.9	0	0	0	106.8	V168 W173 T177 V178 V179 L192 I259 T261	V168-I231 HydrophobicContact CG2-CD1 4.05Å; W173-I231 HydrophobicContact CZ3-CD1 4.27Å; W173-I231 HydrophobicContact CZ3-CG1 3.94Å; T177-I231 PolarHBondContact O-N 2.95Å; V178-I231 HydrophobicContact CG2-CB 4.48Å; V178-I231 HydrophobicContact CG2-CD1 4.37Å; V179-I231 PolarHBondContact N-O 3.27Å; L192-I231 HydrophobicContact CD2-CD1 3.85Å; I231-I259 CarbonylContact C-O 3.56Å; I231-I259 WeakPolarHBondContact CA-O 3.42Å; I231-I259 HydrophobicContact CG1-CB 4.24Å; I231-I259 HydrophobicContact CG1-CD1 4.25Å; I231-I259 HydrophobicContact CG1-CG1 4.47Å; I231-I259 HydrophobicContact CG2-CB 4.36Å; I231-T261 HydrophobicContact CG2-CG2 3.95Å
232	F	92.6	Very high	87.9	Confident	4 Å²	4	41.7 Å²	41.7	2%	0.018	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.7	179.1	-70.5	-68.3	0	0	0	110.5	V179 I230 I242 Y258 I259 F260 T261	V179-F232 HydrophobicContact CB-CD1 3.74Å; V179-F232 HydrophobicContact CB-CE1 3.93Å; V179-F232 HydrophobicContact CG1-CD1 3.88Å; V179-F232 HydrophobicContact CG1-CE1 3.94Å; V179-F232 HydrophobicContact CG2-CD1 4.4Å; V179-F232 HydrophobicContact CG2-CE1 4.14Å; V179-F232 WeakPolarHBondContact O-CA 3.27Å; I230-F232 HydrophobicContact CB-CE2 4.39Å; I230-F232 HydrophobicContact CB-CZ 4.48Å; I230-F232 HydrophobicContact CG2-CD1 4.2Å; I230-F232 HydrophobicContact CG2-CD2 4.08Å; I230-F232 HydrophobicContact CG2-CE1 3.77Å; I230-F232 HydrophobicContact CG2-CE2 3.67Å; I230-F232 HydrophobicContact CG2-CG 4.33Å; I230-F232 HydrophobicContact CG2-CZ 3.49Å; I230-F232 VanDerWaalsContact CG2-CZ 3.49Å; F232-I242 HydrophobicContact CD1-CD1 4.11Å; F232-I242 HydrophobicContact CD1-CG2 4.45Å; F232-I242 HydrophobicContact CE1-CD1 4.25Å; F232-I242 HydrophobicContact CE1-CG2 3.86Å; F232-I242 HydrophobicContact CE2-CG2 4.24Å; F232-I242 HydrophobicContact CZ-CG2 3.73Å; F232-Y258 HydrophobicContact CD2-CD1 4.16Å; F232-Y258 AromaticContact CE2-CD1 3.42Å; F232-Y258 HydrophobicContact CE2-CD1 3.42Å; F232-Y258 VanDerWaalsContact CE2-CD1 3.42Å; F232-Y258 AromaticContact CE2-CE1 3.76Å; F232-Y258 HydrophobicContact CE2-CE1 3.76Å; F232-Y258 HydrophobicContact CE2-CG 4.02Å; F232-Y258 HydrophobicContact CZ-CD1 4.31Å; F232-Y258 HydrophobicContact CZ-CE1 4.25Å; F232-I259 PolarHBondContact N-O 3.32Å; F232-F260 HydrophobicContact CB-CD1 3.8Å; F232-F260 HydrophobicContact CB-CE1 3.86Å; F232-F260 HydrophobicContact CD2-CD1 4.28Å; F232-F260 AromaticContact CD2-CE1 3.63Å; F232-F260 HydrophobicContact CD2-CE1 3.63Å; F232-F260 HydrophobicContact CD2-CE2 4.46Å; F232-F260 AromaticContact CD2-CZ 3.73Å; F232-F260 HydrophobicContact CD2-CZ 3.73Å; F232-F260 HydrophobicContact CE2-CE1 4.46Å; F232-F260 HydrophobicContact CE2-CZ 4.26Å; F232-F260 HydrophobicContact CG-CD1 4.43Å; F232-F260 HydrophobicContact CG-CE1 4Å; F232-T261 PolarHBondContact O-N 2.82Å; F232-T261 PolarHBondContact O-OG1 3.16Å
233	D	91.3	Very high	87.9	Confident	7 Å²	7	41.8 Å²	41.8	4%	0.037	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	87.9	171.5	-173.8	60.9	0	0	0	110.6	V179 Y180 D181 G185 R188 L189 T261	V179-D233 PolarHBondContact O-N 2.91Å; Y180-D233 WeakPolarHBondContact CA-O 3.03Å; D181-D233 PolarHBondContact N-O 2.86Å; G185-D233 WeakPolarHBondContact CA-OD2 3.37Å; R188-D233 IonicContact CZ-OD1 2.69Å; R188-D233 IonicContact CZ-OD2 2.82Å; R188-D233 IonicContact NE-OD2 3.71Å; R188-D233 IonicContact NH2-OD1 3.27Å; R188-D233 PolarHBondContact NH2-OD1 3.42Å; R188-D233 VanDerWaalsContact NH2-OD1 3.14Å; R188-D233 IonicContact NH2-OD2 2.9Å; R188-D233 PolarHBondContact NH2-OD2 3.22Å; L189-D233 HydrophobicContact CD1-CB 3.77Å; D233-T261 VanDerWaalsContact CA-OG1 3.28Å; D233-T261 WeakPolarHBondContact CA-OG1 3.46Å; D233-T261 HydrophobicContact CB-CG2 4.17Å; D233-T261 PolarHBondContact OD1-OG1 3.09Å
234	C	88.6	Confident	88	Confident	8 Å²	8	43 Å²	43	5%	0.054	19%	0.194	C	C	.	.	S	Bend	trans	-149.9	166.1	-175.1	60.8	0	0	0	0	111.3	D181 L208 M238	D181-C234 HydrophobicContact CB-CB 3.97Å; L208-C234 HydrophobicContact CD1-CB 4.01Å; C234-M238 HydrophobicContact CB-CB 4.05Å; C234-M238 HydrophobicContact CB-CG 4.03Å
235	S	85.9	Confident	88.3	Confident	51 Å²	51	34.8 Å²	34.8	36%	0.357	17%	0.165	S	C	.	.			trans	-60.6	157	171.7	68.7	0	0	0	0	112	H237 M238 A239	S235-H237 PolarHBondContact O-N 3.21Å; S235-M238 PolarHBondContact O-N 3.14Å; S235-M238 WeakPolarHBondContact OG-CB 3.36Å; S235-M238 PolarHBondContact OG-N 3.43Å; S235-A239 WeakPolarHBondContact O-CB 3.44Å; S235-A239 PolarHBondContact O-N 3.38Å
236	H	85.3	Confident	88.7	Confident	30 Å²	30	32.9 Å²	32.9	14%	0.139	15%	0.151	C	C	.	.	H	α-helix	trans	-63.9	-28	177.2	57.7	-98.6	0	0	0	112.7	A240 D264	H236-A240 PolarHBondContact O-N 3.39Å; H236-A240 VanDerWaalsContact O-N 3.14Å; H236-D264 HydrophobicContact CB-CB 3.84Å; H236-D264 IonicContact CE1-OD2 3.98Å; H236-D264 IonicContact ND1-OD2 2.86Å; H236-D264 PolarHBondContact ND1-OD2 3.25Å; H236-D264 VanDerWaalsContact ND1-OD2 3.11Å
237	H	84.6	Confident	89	Confident	113 Å²	113	31.5 Å²	31.5	52%	0.523	15%	0.15	S	C	.	.	H	α-helix	trans	-64.4	-50.5	171.8	-64.9	-68.7	0	0	0	111.9	S235 A239 A240 Q241 L314	S235-H237 PolarHBondContact O-N 3.21Å; H237-A239 VanDerWaalsContact C-N 3.33Å; H237-A239 PolarHBondContact O-N 3.28Å; H237-A240 PolarHBondContact O-N 3.47Å; H237-Q241 PolarHBondContact O-N 3.35Å; H237-L314 WeakPolarHBondContact ND1-CD1 3.44Å
238	M	87.1	Confident	88.8	Confident	28 Å²	28	36.1 Å²	36.1	14%	0.138	18%	0.178	C	C	.	.	H	α-helix	trans	-65.7	-37.4	178.5	-174.7	58.4	68.5	0	0	111.6	L208 T215 C234 S235 A240 Q241 I242	L208-M238 HydrophobicContact CD1-CG 3.97Å; T215-M238 HydrophobicContact CG2-SD 4.34Å; C234-M238 HydrophobicContact CB-CB 4.05Å; C234-M238 HydrophobicContact CB-CG 4.03Å; S235-M238 PolarHBondContact O-N 3.14Å; S235-M238 WeakPolarHBondContact OG-CB 3.36Å; S235-M238 PolarHBondContact OG-N 3.43Å; M238-A240 PolarHBondContact O-N 2.68Å; M238-Q241 WeakPolarHBondContact O-CB 3.48Å; M238-Q241 PolarHBondContact O-N 3.06Å; M238-I242 HydrophobicContact CG-CD1 3.94Å; M238-I242 HydrophobicContact CG-CG1 4.41Å; M238-I242 VanDerWaalsContact O-CG1 3.31Å; M238-I242 WeakPolarHBondContact O-CG1 3.26Å; M238-I242 PolarHBondContact O-N 3.45Å
239	A	88.7	Confident	88.7	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.5	-43.6	174.8	0	0	0	0	0	112.2	S235 H237 Q241 I242 L243 F260 I268	S235-A239 WeakPolarHBondContact O-CB 3.44Å; S235-A239 PolarHBondContact O-N 3.38Å; H237-A239 VanDerWaalsContact C-N 3.33Å; H237-A239 PolarHBondContact O-N 3.28Å; A239-Q241 VanDerWaalsContact C-N 3.31Å; A239-Q241 PolarHBondContact O-N 3.47Å; A239-I242 PolarHBondContact O-N 2.86Å; A239-L243 VanDerWaalsContact O-CG 3.3Å; A239-L243 WeakPolarHBondContact O-CG 3.36Å; A239-L243 PolarHBondContact O-N 3.01Å; A239-F260 HydrophobicContact CB-CD1 4.02Å; A239-F260 HydrophobicContact CB-CE1 3.96Å; A239-I268 HydrophobicContact CB-CD1 3.62Å
240	A	87.5	Confident	88.2	Confident	8 Å²	8	33.9 Å²	33.9	7%	0.066	18%	0.183	C	C	.	.	H	α-helix	trans	-60.9	-40.6	176.3	0	0	0	0	0	111.9	H236 H237 M238 L243 K244 I268 L314	H236-A240 PolarHBondContact O-N 3.39Å; H236-A240 VanDerWaalsContact O-N 3.14Å; H237-A240 PolarHBondContact O-N 3.47Å; M238-A240 PolarHBondContact O-N 2.68Å; A240-L243 PolarHBondContact O-N 3.42Å; A240-K244 PolarHBondContact O-N 3.42Å; A240-K244 VanDerWaalsContact O-N 3.14Å; A240-I268 HydrophobicContact CB-CD1 4.49Å; A240-I268 HydrophobicContact CB-CG1 4.42Å; A240-I268 HydrophobicContact CB-CG2 4.03Å; A240-L314 HydrophobicContact CB-CD2 4.06Å
241	Q	87.3	Confident	87.8	Confident	45 Å²	45	33.9 Å²	33.9	21%	0.21	18%	0.183	C	C	.	.	H	α-helix	trans	-66.3	-43.7	176.3	178.8	156.9	23.5	0	0	113	E213 H237 M238 A239 L243 K244 Q245	E213-Q241 VanDerWaalsContact O-CD 3.27Å; E213-Q241 PolarHBondContact O-NE2 3.14Å; E213-Q241 PolarHBondContact OE2-NE2 3.31Å; E213-Q241 VanDerWaalsContact OE2-NE2 3.08Å; H237-Q241 PolarHBondContact O-N 3.35Å; M238-Q241 WeakPolarHBondContact O-CB 3.48Å; M238-Q241 PolarHBondContact O-N 3.06Å; A239-Q241 VanDerWaalsContact C-N 3.31Å; A239-Q241 PolarHBondContact O-N 3.47Å; Q241-L243 VanDerWaalsContact C-N 3.33Å; Q241-L243 PolarHBondContact O-N 3.04Å; Q241-K244 PolarHBondContact O-N 3.16Å; Q241-Q245 WeakPolarHBondContact O-CG 3.28Å; Q241-Q245 PolarHBondContact O-N 3.43Å
242	I	90.1	Very high	87.3	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-60.3	-44.3	175.6	-71.2	167.1	0	0	0	110.3	L208 T215 F232 M238 A239 K244 Q245 A246	L208-I242 HydrophobicContact CD1-CD1 3.77Å; L208-I242 HydrophobicContact CD2-CD1 3.97Å; T215-I242 HydrophobicContact CG2-CG1 4.22Å; F232-I242 HydrophobicContact CD1-CD1 4.11Å; F232-I242 HydrophobicContact CD1-CG2 4.45Å; F232-I242 HydrophobicContact CE1-CD1 4.25Å; F232-I242 HydrophobicContact CE1-CG2 3.86Å; F232-I242 HydrophobicContact CE2-CG2 4.24Å; F232-I242 HydrophobicContact CZ-CG2 3.73Å; M238-I242 HydrophobicContact CG-CD1 3.94Å; M238-I242 HydrophobicContact CG-CG1 4.41Å; M238-I242 VanDerWaalsContact O-CG1 3.31Å; M238-I242 WeakPolarHBondContact O-CG1 3.26Å; M238-I242 PolarHBondContact O-N 3.45Å; A239-I242 PolarHBondContact O-N 2.86Å; I242-K244 PolarHBondContact O-N 3.2Å; I242-Q245 PolarHBondContact O-N 3.47Å; I242-A246 WeakPolarHBondContact O-CB 3.45Å; I242-A246 PolarHBondContact O-N 3.49Å
243	L	89.6	Confident	86.6	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-61.7	-44.1	179.3	-70.9	170.9	0	0	0	111.8	A239 A240 Q241 Q245 A246 Q247 M252 F260 I268 L270 Y273 M280	A239-L243 VanDerWaalsContact O-CG 3.3Å; A239-L243 WeakPolarHBondContact O-CG 3.36Å; A239-L243 PolarHBondContact O-N 3.01Å; A240-L243 PolarHBondContact O-N 3.42Å; Q241-L243 VanDerWaalsContact C-N 3.33Å; Q241-L243 PolarHBondContact O-N 3.04Å; L243-Q245 PolarHBondContact O-N 2.74Å; L243-A246 PolarHBondContact O-N 2.97Å; L243-Q247 PolarHBondContact O-N 2.89Å; L243-M252 HydrophobicContact CB-CE 3.94Å; L243-M252 HydrophobicContact CD2-CE 3.42Å; L243-M252 VanDerWaalsContact CD2-CE 3.42Å; L243-M252 HydrophobicContact CG-CE 4.29Å; L243-M252 VanDerWaalsContact O-CE 3.27Å; L243-M252 WeakPolarHBondContact O-CE 3.48Å; L243-F260 HydrophobicContact CD1-CZ 4.4Å; L243-F260 HydrophobicContact CD2-CE2 4.2Å; L243-F260 HydrophobicContact CD2-CZ 3.69Å; L243-F260 HydrophobicContact CG-CZ 4.09Å; L243-I268 HydrophobicContact CD1-CD1 4.5Å; L243-I268 HydrophobicContact CD1-CG2 3.98Å; L243-L270 HydrophobicContact CD1-CD2 4.08Å; L243-Y273 HydrophobicContact CB-CE1 4.23Å; L243-Y273 HydrophobicContact CB-CE2 3.84Å; L243-Y273 HydrophobicContact CD1-CD2 4.45Å; L243-Y273 HydrophobicContact CD1-CE2 4.19Å; L243-M280 HydrophobicContact CD1-CE 3.87Å; L243-M280 HydrophobicContact CD2-CE 3.54Å; L243-M280 HydrophobicContact CD2-SD 4.22Å; L243-M280 HydrophobicContact CG-CE 4.38Å
244	K	88.3	Confident	85.7	Confident	113 Å²	113	38.3 Å²	38.3	49%	0.491	21%	0.207	S	C	.	.	H	α-helix	trans	-60.3	-46.4	176	-171.3	176.1	-174.8	173.3	0	111.5	A240 Q241 I242 Q247 T248 Y273	A240-K244 PolarHBondContact O-N 3.42Å; A240-K244 VanDerWaalsContact O-N 3.14Å; Q241-K244 PolarHBondContact O-N 3.16Å; I242-K244 PolarHBondContact O-N 3.2Å; K244-Q247 PolarHBondContact O-N 3.39Å; K244-T248 PolarHBondContact O-N 3.02Å; K244-Y273 WeakPolarHBondContact CA-OH 3.28Å; K244-Y273 PolarHBondContact N-OH 2.86Å
245	Q	89.5	Confident	85.2	Confident	24 Å²	24	39.7 Å²	39.7	11%	0.112	21%	0.211	C	C	.	.	H	α-helix	trans	-68.1	-41.5	178.9	-68.6	177.8	14.3	0	0	112	E213 T215 R216 L219 Q241 I242 L243 Q247 T248 M249	E213-Q245 PolarHBondContact O-NE2 3.11Å; T215-Q245 PolarHBondContact OG1-OE1 3.26Å; R216-Q245 HydrophobicContact CG-CB 4.24Å; R216-Q245 HydrophobicContact CG-CG 4.24Å; L219-Q245 HydrophobicContact CD1-CB 3.89Å; Q241-Q245 WeakPolarHBondContact O-CG 3.28Å; Q241-Q245 PolarHBondContact O-N 3.43Å; I242-Q245 PolarHBondContact O-N 3.47Å; L243-Q245 PolarHBondContact O-N 2.74Å; Q245-Q247 VanDerWaalsContact C-N 3.29Å; Q245-Q247 PolarHBondContact O-N 3.47Å; Q245-T248 PolarHBondContact O-N 3.25Å; Q245-T248 PolarHBondContact O-OG1 3.48Å; Q245-M249 WeakPolarHBondContact O-CB 3.18Å; Q245-M249 VanDerWaalsContact O-CG 3.27Å; Q245-M249 WeakPolarHBondContact O-CG 3.37Å; Q245-M249 PolarHBondContact O-N 2.89Å
246	A	89.8	Confident	85.3	Confident	2 Å²	2	37.8 Å²	37.8	2%	0.017	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-38.8	176.3	0	0	0	0	0	111.9	I242 L243 M249 G250 M251 M252	I242-A246 WeakPolarHBondContact O-CB 3.45Å; I242-A246 PolarHBondContact O-N 3.49Å; L243-A246 PolarHBondContact O-N 2.97Å; A246-M249 PolarHBondContact O-N 3.35Å; A246-G250 PolarHBondContact O-N 3.44Å; A246-M251 HydrophobicContact CB-CB 4.23Å; A246-M251 PolarHBondContact O-N 3.48Å; A246-M252 HydrophobicContact CB-CE 4.13Å; A246-M252 HydrophobicContact CB-SD 4.32Å
247	Q	86.8	Confident	85.5	Confident	81 Å²	81	37.6 Å²	37.6	38%	0.379	20%	0.195	S	C	.	.	H	α-helix	trans	-62.3	-49.6	174.1	-170.4	-177.9	31.3	0	0	111.6	L243 K244 Q245 M249 G250 M252 Y273	L243-Q247 PolarHBondContact O-N 2.89Å; K244-Q247 PolarHBondContact O-N 3.39Å; Q245-Q247 VanDerWaalsContact C-N 3.29Å; Q245-Q247 PolarHBondContact O-N 3.47Å; Q247-M249 PolarHBondContact O-N 3.17Å; Q247-G250 PolarHBondContact O-N 2.89Å; Q247-M252 HydrophobicContact CB-CG 3.98Å; Q247-M252 HydrophobicContact CG-CG 4.45Å; Q247-Y273 HydrophobicContact CB-CD1 4.42Å; Q247-Y273 HydrophobicContact CB-CE1 3.92Å; Q247-Y273 HydrophobicContact CG-CE1 4.28Å
248	T	85.7	Confident	85.9	Confident	105 Å²	105	32.3 Å²	32.3	64%	0.644	17%	0.171	S	C	*	.	H	α-helix	trans	-62.1	-28.6	177.6	63.2	0	0	0	0	113.3	K244 Q245 G250	K244-T248 PolarHBondContact O-N 3.02Å; Q245-T248 PolarHBondContact O-N 3.25Å; Q245-T248 PolarHBondContact O-OG1 3.48Å; T248-G250 VanDerWaalsContact C-N 3.3Å
249	M	84.3	Confident	86.2	Confident	49 Å²	49	31 Å²	31	24%	0.241	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-0.5	178.5	-68.3	-66.8	-69.1	0	0	113.4	R216 K220 K223 Q245 A246 Q247 M251	R216-M249 HydrophobicContact CG-CG 4.46Å; K220-M249 HydrophobicContact CB-CE 3.81Å; K220-M249 HydrophobicContact CG-CE 4.27Å; K223-M249 PolarHBondContact NZ-O 3.23Å; Q245-M249 WeakPolarHBondContact O-CB 3.18Å; Q245-M249 VanDerWaalsContact O-CG 3.27Å; Q245-M249 WeakPolarHBondContact O-CG 3.37Å; Q245-M249 PolarHBondContact O-N 2.89Å; A246-M249 PolarHBondContact O-N 3.35Å; Q247-M249 PolarHBondContact O-N 3.17Å; M249-M251 VanDerWaalsContact C-N 3.29Å; M249-M251 HydrophobicContact CB-CG 4.2Å; M249-M251 HydrophobicContact CB-SD 4.38Å; M249-M251 PolarHBondContact O-N 2.97Å
250	G	81.6	Confident	86.3	Confident	39 Å²	39	31 Å²	31	40%	0.402	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	38	-175.6	0	0	0	0	0	112.3	A246 Q247 T248 M252	A246-G250 PolarHBondContact O-N 3.44Å; Q247-G250 PolarHBondContact O-N 2.89Å; T248-G250 VanDerWaalsContact C-N 3.3Å; G250-M252 VanDerWaalsContact C-N 3.34Å
251	M	85.5	Confident	86.4	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.			trans	-100	19.5	172.4	-64.8	-179.6	63.2	0	0	111.6	L219 M222 K223 A246 M249 Y256 Y258	L219-M251 HydrophobicContact CB-SD 3.75Å; L219-M251 HydrophobicContact CD2-CE 4.17Å; L219-M251 HydrophobicContact CD2-SD 4.19Å; L219-M251 HydrophobicContact CG-SD 4.46Å; L219-M251 VanDerWaalsContact O-SD 3.41Å; M222-M251 HydrophobicContact CB-CE 4.38Å; K223-M251 HydrophobicContact CB-SD 4.11Å; K223-M251 HydrophobicContact CD-CG 4.17Å; A246-M251 HydrophobicContact CB-CB 4.23Å; A246-M251 PolarHBondContact O-N 3.48Å; M249-M251 VanDerWaalsContact C-N 3.29Å; M249-M251 HydrophobicContact CB-CG 4.2Å; M249-M251 HydrophobicContact CB-SD 4.38Å; M249-M251 PolarHBondContact O-N 2.97Å; M251-Y256 HydrophobicContact CB-CE1 4.42Å; M251-Y256 HydrophobicContact CB-CE2 4.2Å; M251-Y256 HydrophobicContact CE-CE1 3.85Å; M251-Y256 VanDerWaalsContact O-CD2 3.29Å; M251-Y256 WeakPolarHBondContact O-CD2 3.43Å; M251-Y258 PolarHBondContact O-OH 3.37Å
252	M	83.7	Confident	86.5	Confident	17 Å²	17	30.3 Å²	30.3	8%	0.084	16%	0.162	C	C	.	.			trans	-111.3	74.5	174.5	-62.8	-62.1	-150.2	0	0	109.2	L243 A246 Q247 G250 Y258 Y273 C276 V278	L243-M252 HydrophobicContact CB-CE 3.94Å; L243-M252 HydrophobicContact CD2-CE 3.42Å; L243-M252 VanDerWaalsContact CD2-CE 3.42Å; L243-M252 HydrophobicContact CG-CE 4.29Å; L243-M252 VanDerWaalsContact O-CE 3.27Å; L243-M252 WeakPolarHBondContact O-CE 3.48Å; A246-M252 HydrophobicContact CB-CE 4.13Å; A246-M252 HydrophobicContact CB-SD 4.32Å; Q247-M252 HydrophobicContact CB-CG 3.98Å; Q247-M252 HydrophobicContact CG-CG 4.45Å; G250-M252 VanDerWaalsContact C-N 3.34Å; M252-Y258 HydrophobicContact SD-CE2 3.89Å; M252-Y273 HydrophobicContact CE-CD1 3.41Å; M252-Y273 VanDerWaalsContact CE-CD1 3.41Å; M252-Y273 HydrophobicContact CE-CE1 3.69Å; M252-Y273 HydrophobicContact CE-CG 3.97Å; M252-C276 HydrophobicContact CB-CB 3.82Å; M252-V278 HydrophobicContact CB-CG2 3.85Å; M252-V278 HydrophobicContact SD-CG2 4.04Å
253	T	77.8	Confident	86.4	Confident	40 Å²	40	30.4 Å²	30.4	25%	0.245	16%	0.163	C	C	.	.	S	Bend	trans	-129.6	165.4	178.4	67.2	0	0	0	0	110.3	Y255 Y256 V278	T253-Y255 PolarHBondContact O-N 2.84Å; T253-Y256 PolarHBondContact O-N 2.9Å; T253-Y256 WeakPolarHBondContact OG1-CD2 3.47Å; T253-Y256 WeakPolarHBondContact OG1-CE2 3.02Å; T253-V278 VanDerWaalsContact N-CG2 3.35Å; T253-V278 WeakPolarHBondContact O-CG2 3.21Å
254	E	71.9	Confident	86.1	Confident	47 Å²	47	31 Å²	31	22%	0.22	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.5	-178.8	69	-87.1	-161.4	0	0	115.1	Y256 G277 Y791	E254-Y256 PolarHBondContact O-N 2.89Å; E254-G277 VanDerWaalsContact CA-O 3.28Å; E254-G277 WeakPolarHBondContact CA-O 3.5Å; E254-Y791 VanDerWaalsContact CD-OH 3.28Å; E254-Y791 WeakPolarHBondContact OE1-CE2 3.38Å; E254-Y791 PolarHBondContact OE1-OH 2.73Å
255	Y	78.4	Confident	85.9	Confident	37 Å²	37	25.8 Å²	25.8	15%	0.145	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-26.6	175.9	-56	-74.5	0	0	0	112.4	F228 T253 H525	F228-Y255 WeakPolarHBondContact CB-O 3.42Å; T253-Y255 PolarHBondContact O-N 2.84Å; Y255-H525 AromaticContact CD1-CE1 3.85Å; Y255-H525 AromaticContact CD2-CE1 3.98Å; Y255-H525 AromaticContact CD2-ND1 3.61Å; Y255-H525 AromaticContact CE1-CE1 3.86Å; Y255-H525 AromaticContact CE1-ND1 3.99Å; Y255-H525 AromaticContact CE2-ND1 3.4Å; Y255-H525 WeakPolarHBondContact CE2-ND1 3.48Å; Y255-H525 AromaticContact CG-CE1 3.91Å; Y255-H525 AromaticContact CZ-CE1 3.96Å; Y255-H525 AromaticContact CZ-ND1 3.61Å
256	Y	87.2	Confident	85.3	Confident	11 Å²	11	25.5 Å²	25.5	4%	0.043	14%	0.142	C	C	.	.			trans	-83.5	137.3	-178.5	-70.8	-85.5	0	0	0	111.5	E227 F228 I230 M251 T253 E254 Y258 N279	E227-Y256 VanDerWaalsContact O-CE1 3.27Å; E227-Y256 WeakPolarHBondContact O-CE1 3.49Å; F228-Y256 HydrophobicContact CD1-CD1 4.32Å; F228-Y256 HydrophobicContact CD1-CE1 4.07Å; F228-Y256 HydrophobicContact CD1-CE2 4.32Å; F228-Y256 WeakPolarHBondContact O-CA 3.41Å; I230-Y256 HydrophobicContact CD1-CD1 4.35Å; I230-Y256 HydrophobicContact CD1-CE1 4.45Å; M251-Y256 HydrophobicContact CB-CE1 4.42Å; M251-Y256 HydrophobicContact CB-CE2 4.2Å; M251-Y256 HydrophobicContact CE-CE1 3.85Å; M251-Y256 VanDerWaalsContact O-CD2 3.29Å; M251-Y256 WeakPolarHBondContact O-CD2 3.43Å; T253-Y256 PolarHBondContact O-N 2.9Å; T253-Y256 WeakPolarHBondContact OG1-CD2 3.47Å; T253-Y256 WeakPolarHBondContact OG1-CE2 3.02Å; E254-Y256 PolarHBondContact O-N 2.89Å; Y256-Y258 HydrophobicContact CD1-CE1 4.08Å; Y256-Y258 AromaticContact CD1-CZ 3.84Å; Y256-Y258 VanDerWaalsContact CD1-OH 3.29Å; Y256-Y258 WeakPolarHBondContact CD1-OH 3.21Å; Y256-Y258 AromaticContact CG-CZ 3.99Å; Y256-N279 PolarHBondContact O-N 2.81Å
257	H	89.8	Confident	84.8	Confident	26 Å²	26	25.8 Å²	25.8	12%	0.12	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	113.4	170.2	-165.6	163	0	0	0	108.8	W173 F228 I230 N279 T281	W173-H257 HydrophobicContact CH2-CB 4.47Å; W173-H257 HydrophobicContact CZ2-CB 3.85Å; W173-H257 AromaticContact CZ2-CD2 3.98Å; W173-H257 AromaticContact CZ2-CG 3.56Å; W173-H257 AromaticContact CZ2-ND1 3.61Å; F228-H257 PolarHBondContact O-N 2.94Å; I230-H257 PolarHBondContact N-O 3.31Å; I230-H257 VanDerWaalsContact N-O 3.14Å; H257-N279 CarbonylContact C-O 3.53Å; H257-N279 VanDerWaalsContact CA-O 3.28Å; H257-N279 WeakPolarHBondContact CA-O 3.19Å; H257-N279 HydrophobicContact CB-CB 4.23Å; H257-N279 PolarHBondContact CD2-O 3.35Å; H257-T281 WeakPolarHBondContact NE2-CG2 2.99Å
258	Y	92.7	Very high	84.6	Confident	3 Å²	3	22.1 Å²	22.1	1%	0.012	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.6	178.7	-60.2	-51.1	0	0	0	111.1	I230 F232 M251 M252 Y256 V278 N279 M280 T281	I230-Y258 HydrophobicContact CB-CD1 3.92Å; I230-Y258 HydrophobicContact CB-CE1 4.08Å; I230-Y258 HydrophobicContact CD1-CD1 4.4Å; I230-Y258 HydrophobicContact CD1-CE1 3.69Å; I230-Y258 HydrophobicContact CG1-CE1 4.44Å; I230-Y258 HydrophobicContact CG2-CD1 4.48Å; I230-Y258 WeakPolarHBondContact O-CA 3.4Å; F232-Y258 HydrophobicContact CD2-CD1 4.16Å; F232-Y258 AromaticContact CE2-CD1 3.42Å; F232-Y258 HydrophobicContact CE2-CD1 3.42Å; F232-Y258 VanDerWaalsContact CE2-CD1 3.42Å; F232-Y258 AromaticContact CE2-CE1 3.76Å; F232-Y258 HydrophobicContact CE2-CE1 3.76Å; F232-Y258 HydrophobicContact CE2-CG 4.02Å; F232-Y258 HydrophobicContact CZ-CD1 4.31Å; F232-Y258 HydrophobicContact CZ-CE1 4.25Å; M251-Y258 PolarHBondContact O-OH 3.37Å; M252-Y258 HydrophobicContact SD-CE2 3.89Å; Y256-Y258 HydrophobicContact CD1-CE1 4.08Å; Y256-Y258 AromaticContact CD1-CZ 3.84Å; Y256-Y258 VanDerWaalsContact CD1-OH 3.29Å; Y256-Y258 WeakPolarHBondContact CD1-OH 3.21Å; Y256-Y258 AromaticContact CG-CZ 3.99Å; Y258-V278 HydrophobicContact CD2-CG1 3.5Å; Y258-V278 HydrophobicContact CE2-CG1 3.74Å; Y258-N279 PolarHBondContact N-O 2.98Å; Y258-M280 HydrophobicContact CD2-CG 4.33Å; Y258-T281 PolarHBondContact O-N 2.85Å; Y258-T281 PolarHBondContact O-OG1 3.41Å
259	I	93.4	Very high	84.4	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.3	168.2	-52.8	-175.6	0	0	0	107.3	L167 V168 L171 W173 I230 I231 F232 T281 F283	L167-I259 HydrophobicContact CD2-CD1 4.21Å; L167-I259 HydrophobicContact CD2-CG2 4.31Å; V168-I259 HydrophobicContact CG2-CD1 4.09Å; L171-I259 HydrophobicContact CD1-CD1 4.25Å; W173-I259 HydrophobicContact CE3-CD1 4.38Å; W173-I259 HydrophobicContact CH2-CD1 3.46Å; W173-I259 VanDerWaalsContact CH2-CD1 3.46Å; W173-I259 HydrophobicContact CH2-CG1 3.6Å; W173-I259 HydrophobicContact CZ2-CD1 4.09Å; W173-I259 HydrophobicContact CZ2-CG1 4.31Å; W173-I259 HydrophobicContact CZ3-CD1 3.6Å; W173-I259 HydrophobicContact CZ3-CG1 4.12Å; I230-I259 PolarHBondContact O-N 3.38Å; I231-I259 CarbonylContact C-O 3.56Å; I231-I259 WeakPolarHBondContact CA-O 3.42Å; I231-I259 HydrophobicContact CG1-CB 4.24Å; I231-I259 HydrophobicContact CG1-CD1 4.25Å; I231-I259 HydrophobicContact CG1-CG1 4.47Å; I231-I259 HydrophobicContact CG2-CB 4.36Å; F232-I259 PolarHBondContact N-O 3.32Å; I259-T281 WeakPolarHBondContact CA-O 3.48Å; I259-T281 WeakPolarHBondContact CG1-OG1 3.43Å; I259-F283 HydrophobicContact CG2-CE2 3.95Å; I259-F283 HydrophobicContact CG2-CZ 4.29Å
260	F	92	Very high	84.3	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.1	172.8	-69.6	-84.8	0	0	0	109.4	F232 A239 L243 T262 L265 M280 T281 F283	F232-F260 HydrophobicContact CB-CD1 3.8Å; F232-F260 HydrophobicContact CB-CE1 3.86Å; F232-F260 HydrophobicContact CD2-CD1 4.28Å; F232-F260 AromaticContact CD2-CE1 3.63Å; F232-F260 HydrophobicContact CD2-CE1 3.63Å; F232-F260 HydrophobicContact CD2-CE2 4.46Å; F232-F260 AromaticContact CD2-CZ 3.73Å; F232-F260 HydrophobicContact CD2-CZ 3.73Å; F232-F260 HydrophobicContact CE2-CE1 4.46Å; F232-F260 HydrophobicContact CE2-CZ 4.26Å; F232-F260 HydrophobicContact CG-CD1 4.43Å; F232-F260 HydrophobicContact CG-CE1 4Å; A239-F260 HydrophobicContact CB-CD1 4.02Å; A239-F260 HydrophobicContact CB-CE1 3.96Å; L243-F260 HydrophobicContact CD1-CZ 4.4Å; L243-F260 HydrophobicContact CD2-CE2 4.2Å; L243-F260 HydrophobicContact CD2-CZ 3.69Å; L243-F260 HydrophobicContact CG-CZ 4.09Å; F260-T262 VanDerWaalsContact C-N 3.34Å; F260-T262 HydrophobicContact CB-CG2 4.25Å; F260-L265 HydrophobicContact CB-CD1 4.32Å; F260-L265 HydrophobicContact CD2-CD1 4.12Å; F260-L265 HydrophobicContact CG-CD1 4.17Å; F260-M280 HydrophobicContact CD2-CE 4.43Å; F260-M280 HydrophobicContact CE2-CE 3.72Å; F260-M280 HydrophobicContact CZ-CE 4.39Å; F260-T281 PolarHBondContact N-O 2.03Å; F260-F283 VanDerWaalsContact O-CD2 3.26Å; F260-F283 WeakPolarHBondContact O-CD2 3.33Å
261	T	89.6	Confident	84.2	Confident	20 Å²	20	20.1 Å²	20.1	12%	0.123	10%	0.102	C	C	.	.			trans	-77.8	-22.3	178.7	63.9	0	0	0	0	112.6	I164 L189 I231 F232 D233	I164-T261 HydrophobicContact CD1-CG2 3.7Å; L189-T261 HydrophobicContact CD2-CG2 4.41Å; I231-T261 HydrophobicContact CG2-CG2 3.95Å; F232-T261 PolarHBondContact O-N 2.82Å; F232-T261 PolarHBondContact O-OG1 3.16Å; D233-T261 VanDerWaalsContact CA-OG1 3.28Å; D233-T261 WeakPolarHBondContact CA-OG1 3.46Å; D233-T261 HydrophobicContact CB-CG2 4.17Å; D233-T261 PolarHBondContact OD1-OG1 3.09Å
262	T	88.5	Confident	84.1	Confident	18 Å²	18	22.8 Å²	22.8	11%	0.11	12%	0.12	C	C	.	.			trans	-61.3	136.6	178.5	-178	0	0	0	0	111.5	F260 D264	F260-T262 VanDerWaalsContact C-N 3.34Å; F260-T262 HydrophobicContact CB-CG2 4.25Å; T262-D264 PolarHBondContact O-N 3.28Å; T262-D264 PolarHBondContact OG1-N 2.85Å
263	L	87.7	Confident	84	Confident	5 Å²	5	22.8 Å²	22.8	3%	0.026	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-8.9	177.3	-55.3	178.6	0	0	0	112.6	F283 I285 T321 L392	L263-F283 WeakPolarHBondContact CA-O 3.48Å; L263-F283 HydrophobicContact CD2-CB 3.8Å; L263-I285 HydrophobicContact CD1-CB 4.34Å; L263-I285 HydrophobicContact CD1-CG2 4.1Å; L263-T321 HydrophobicContact CB-CG2 3.5Å; L263-T321 VanDerWaalsContact CB-CG2 3.5Å; L263-T321 HydrophobicContact CD1-CG2 4.43Å; L263-L392 HydrophobicContact CD2-CD1 3.76Å
264	D	84.6	Confident	83.8	Confident	13 Å²	13	22.7 Å²	22.7	7%	0.07	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	25.9	-176.7	-66.1	-37.2	0	0	0	112.6	H236 T262 M266 A267 T321	H236-D264 HydrophobicContact CB-CB 3.84Å; H236-D264 IonicContact CE1-OD2 3.98Å; H236-D264 IonicContact ND1-OD2 2.86Å; H236-D264 PolarHBondContact ND1-OD2 3.25Å; H236-D264 VanDerWaalsContact ND1-OD2 3.11Å; T262-D264 PolarHBondContact O-N 3.28Å; T262-D264 PolarHBondContact OG1-N 2.85Å; D264-M266 PolarHBondContact O-N 3.49Å; D264-M266 VanDerWaalsContact O-N 3.09Å; D264-A267 HydrophobicContact CB-CB 4.36Å; D264-A267 WeakPolarHBondContact O-CB 3.31Å; D264-A267 PolarHBondContact O-N 3.42Å; D264-T321 VanDerWaalsContact CG-OG1 3.29Å; D264-T321 WeakPolarHBondContact OD1-CB 3.34Å; D264-T321 VanDerWaalsContact OD1-CG2 3.28Å; D264-T321 WeakPolarHBondContact OD1-CG2 3.5Å; D264-T321 PolarHBondContact OD1-N 3.05Å; D264-T321 PolarHBondContact OD1-OG1 3.06Å; D264-T321 PolarHBondContact OD2-OG1 3.03Å
265	L	82.9	Confident	84.1	Confident	5 Å²	5	27.2 Å²	27.2	3%	0.026	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-56.3	-30.4	179	-177.5	62.1	0	0	0	112.1	F260 A267 I268 L270 V395	F260-L265 HydrophobicContact CB-CD1 4.32Å; F260-L265 HydrophobicContact CD2-CD1 4.12Å; F260-L265 HydrophobicContact CG-CD1 4.17Å; L265-A267 PolarHBondContact O-N 2.95Å; L265-I268 HydrophobicContact CD1-CD1 4.21Å; L265-I268 PolarHBondContact O-N 3.37Å; L265-L270 HydrophobicContact CD1-CD1 4.47Å; L265-L270 HydrophobicContact CG-CD1 4.3Å; L265-V395 HydrophobicContact CD2-CG2 4.48Å
266	M	76.9	Confident	83.7	Confident	17 Å²	17	27.1 Å²	27.1	8%	0.084	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-66.5	-19.1	176.7	-60	-174.7	-64	0	0	113.8	D264 I268 R284 L286 I318 F414	D264-M266 PolarHBondContact O-N 3.49Å; D264-M266 VanDerWaalsContact O-N 3.09Å; M266-I268 PolarHBondContact O-N 3.37Å; M266-R284 HydrophobicContact CE-CG 3.73Å; M266-R284 WeakPolarHBondContact SD-CD 3.21Å; M266-R284 HydrophobicContact SD-CG 4.09Å; M266-L286 HydrophobicContact CE-CB 4.41Å; M266-L286 HydrophobicContact CE-CD1 4.24Å; M266-I318 WeakPolarHBondContact O-CD1 3.48Å; M266-F414 HydrophobicContact CB-CE1 4.39Å; M266-F414 HydrophobicContact SD-CD1 4.09Å; M266-F414 HydrophobicContact SD-CE1 3.77Å
267	A	79.2	Confident	83	Confident	9 Å²	9	27.3 Å²	27.3	7%	0.074	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-76.8	-9.1	178.2	0	0	0	0	0	112.7	D264 L265 L314 L315	D264-A267 HydrophobicContact CB-CB 4.36Å; D264-A267 WeakPolarHBondContact O-CB 3.31Å; D264-A267 PolarHBondContact O-N 3.42Å; L265-A267 PolarHBondContact O-N 2.95Å; A267-L314 CarbonylContact O-C 3.59Å; A267-L314 WeakPolarHBondContact O-CA 3.42Å; A267-L314 WeakPolarHBondContact O-CD2 2.96Å; A267-L315 PolarHBondContact O-N 2.83Å
268	I	83.4	Confident	82.7	Confident	3 Å²	3	26.4 Å²	26.4	2%	0.015	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-96.4	140.2	-178.2	-53.9	178.8	0	0	0	109.6	A239 A240 L243 L265 M266 L270 L314	A239-I268 HydrophobicContact CB-CD1 3.62Å; A240-I268 HydrophobicContact CB-CD1 4.49Å; A240-I268 HydrophobicContact CB-CG1 4.42Å; A240-I268 HydrophobicContact CB-CG2 4.03Å; L243-I268 HydrophobicContact CD1-CD1 4.5Å; L243-I268 HydrophobicContact CD1-CG2 3.98Å; L265-I268 HydrophobicContact CD1-CD1 4.21Å; L265-I268 PolarHBondContact O-N 3.37Å; M266-I268 PolarHBondContact O-N 3.37Å; I268-L270 HydrophobicContact CB-CD2 4.48Å; I268-L270 HydrophobicContact CG2-CD2 4.2Å; I268-L270 PolarHBondContact O-N 3.45Å; I268-L314 HydrophobicContact CG1-CD2 4.15Å
269	D	80.6	Confident	82.3	Confident	52 Å²	52	30.1 Å²	30.1	28%	0.278	16%	0.159	S	C	.	.			trans	-73.5	108.5	170.9	-177	15.3	0	0	0	110.6	E271 Y273 G313 L315	D269-E271 WeakPolarHBondContact OD1-CB 3.46Å; D269-E271 PolarHBondContact OD1-N 2.86Å; D269-E271 VanDerWaalsContact OD1-N 3.12Å; D269-Y273 WeakPolarHBondContact O-CE2 3.38Å; D269-G313 PolarHBondContact N-O 3.1Å; D269-L315 HydrophobicContact CB-CD2 4.12Å; D269-L315 HydrophobicContact CB-CG 4.21Å
270	L	82.6	Confident	82	Confident	9 Å²	9	30.1 Å²	30.1	5%	0.047	16%	0.159	C	C	.	.			trans	-97.8	-3.7	-178.5	-62.7	178.4	0	0	0	113.6	L243 L265 I268 Y273 R274 M280 L397 V417	L243-L270 HydrophobicContact CD1-CD2 4.08Å; L265-L270 HydrophobicContact CD1-CD1 4.47Å; L265-L270 HydrophobicContact CG-CD1 4.3Å; I268-L270 HydrophobicContact CB-CD2 4.48Å; I268-L270 HydrophobicContact CG2-CD2 4.2Å; I268-L270 PolarHBondContact O-N 3.45Å; L270-Y273 HydrophobicContact CD2-CD2 4.26Å; L270-Y273 PolarHBondContact O-N 3.19Å; L270-Y273 VanDerWaalsContact O-N 3.14Å; L270-R274 PolarHBondContact O-N 3.07Å; L270-M280 HydrophobicContact CD2-CE 3.63Å; L270-L397 HydrophobicContact CB-CD1 3.96Å; L270-L397 HydrophobicContact CD1-CD1 4.24Å; L270-V417 HydrophobicContact CD1-CG2 3.85Å
271	E	80.3	Confident	81.9	Confident	90 Å²	90	30.6 Å²	30.6	42%	0.421	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-56.7	-43.7	-179.2	172.8	159.1	-138	0	0	113.4	D269 Y273 R274	D269-E271 WeakPolarHBondContact OD1-CB 3.46Å; D269-E271 PolarHBondContact OD1-N 2.86Å; D269-E271 VanDerWaalsContact OD1-N 3.12Å; E271-Y273 PolarHBondContact O-N 3.34Å; E271-Y273 VanDerWaalsContact O-N 3.14Å; E271-R274 WeakPolarHBondContact O-CG 3.38Å; E271-R274 PolarHBondContact O-N 3.31Å; E271-R274 IonicContact OE1-CZ 2.75Å; E271-R274 IonicContact OE1-NH1 2.67Å; E271-R274 PolarHBondContact OE1-NH1 3.35Å; E271-R274 IonicContact OE1-NH2 3.26Å
272	P	82.3	Confident	81.9	Confident	57 Å²	57	29.7 Å²	29.7	37%	0.37	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-63.4	-21.6	179.7	-23.8	35	0	0	0	114.4
273	Y	81.9	Confident	81.9	Confident	16 Å²	16	29.1 Å²	29.1	6%	0.063	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-102	-12.6	-171.8	-47.3	-63.6	0	0	0	113.2	L243 K244 Q247 M252 D269 L270 E271 F275 C276	L243-Y273 HydrophobicContact CB-CE1 4.23Å; L243-Y273 HydrophobicContact CB-CE2 3.84Å; L243-Y273 HydrophobicContact CD1-CD2 4.45Å; L243-Y273 HydrophobicContact CD1-CE2 4.19Å; K244-Y273 WeakPolarHBondContact CA-OH 3.28Å; K244-Y273 PolarHBondContact N-OH 2.86Å; Q247-Y273 HydrophobicContact CB-CD1 4.42Å; Q247-Y273 HydrophobicContact CB-CE1 3.92Å; Q247-Y273 HydrophobicContact CG-CE1 4.28Å; M252-Y273 HydrophobicContact CE-CD1 3.41Å; M252-Y273 VanDerWaalsContact CE-CD1 3.41Å; M252-Y273 HydrophobicContact CE-CE1 3.69Å; M252-Y273 HydrophobicContact CE-CG 3.97Å; D269-Y273 WeakPolarHBondContact O-CE2 3.38Å; L270-Y273 HydrophobicContact CD2-CD2 4.26Å; L270-Y273 PolarHBondContact O-N 3.19Å; L270-Y273 VanDerWaalsContact O-N 3.14Å; E271-Y273 PolarHBondContact O-N 3.34Å; E271-Y273 VanDerWaalsContact O-N 3.14Å; Y273-F275 VanDerWaalsContact C-N 3.29Å; Y273-F275 PolarHBondContact O-N 3.28Å; Y273-C276 WeakPolarHBondContact O-CB 3.46Å; Y273-C276 PolarHBondContact O-N 3.32Å; Y273-C276 VanDerWaalsContact O-N 3.11Å
274	R	74.8	Confident	81.9	Confident	38 Å²	38	29.7 Å²	29.7	14%	0.143	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-58.9	-37.4	-174.6	79.1	-175.2	-177.4	-145.1	-10.5	113.6	L270 E271 C276 L397 W416	L270-R274 PolarHBondContact O-N 3.07Å; E271-R274 WeakPolarHBondContact O-CG 3.38Å; E271-R274 PolarHBondContact O-N 3.31Å; E271-R274 IonicContact OE1-CZ 2.75Å; E271-R274 IonicContact OE1-NH1 2.67Å; E271-R274 PolarHBondContact OE1-NH1 3.35Å; E271-R274 IonicContact OE1-NH2 3.26Å; R274-C276 VanDerWaalsContact C-N 3.34Å; R274-L397 HydrophobicContact CB-CD1 4.41Å; R274-W416 VanDerWaalsContact NH1-CE2 3.33Å
275	F	76.4	Confident	82.1	Confident	142 Å²	142	29.4 Å²	29.4	62%	0.623	15%	0.153	S	C	*	.	G	3₁₀ helix	trans	-89.1	0.6	-177.2	-59.2	-60.4	0	0	0	113.7	Y273 G277	Y273-F275 VanDerWaalsContact C-N 3.29Å; Y273-F275 PolarHBondContact O-N 3.28Å; F275-G277 PolarHBondContact O-N 3.46Å
276	C	71.8	Confident	82.2	Confident	35 Å²	35	29.4 Å²	29.4	24%	0.236	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-79.4	-5.8	179.2	-62	0	0	0	0	112.9	M252 Y273 R274 V278	M252-C276 HydrophobicContact CB-CB 3.82Å; Y273-C276 WeakPolarHBondContact O-CB 3.46Å; Y273-C276 PolarHBondContact O-N 3.32Å; Y273-C276 VanDerWaalsContact O-N 3.11Å; R274-C276 VanDerWaalsContact C-N 3.34Å; C276-V278 HydrophobicContact CB-CG2 4.08Å; C276-V278 PolarHBondContact O-N 3.18Å
277	G	71.6	Confident	82.4	Confident	16 Å²	16	31 Å²	31	17%	0.165	16%	0.162	C	C	.	.			trans	71	6.8	178.4	0	0	0	0	0	115	E254 F275	E254-G277 VanDerWaalsContact CA-O 3.28Å; E254-G277 WeakPolarHBondContact CA-O 3.5Å; F275-G277 PolarHBondContact O-N 3.46Å
278	V	83.7	Confident	82.2	Confident	6 Å²	6	31.4 Å²	31.4	4%	0.036	16%	0.163	C	C	.	.			trans	-71.9	134	179.3	-178.9	0	0	0	0	110.1	M252 T253 Y258 C276 M280	M252-V278 HydrophobicContact CB-CG2 3.85Å; M252-V278 HydrophobicContact SD-CG2 4.04Å; T253-V278 VanDerWaalsContact N-CG2 3.35Å; T253-V278 WeakPolarHBondContact O-CG2 3.21Å; Y258-V278 HydrophobicContact CD2-CG1 3.5Å; Y258-V278 HydrophobicContact CE2-CG1 3.74Å; C276-V278 HydrophobicContact CB-CG2 4.08Å; C276-V278 PolarHBondContact O-N 3.18Å; V278-M280 HydrophobicContact CB-CG 4.36Å; V278-M280 HydrophobicContact CG1-CG 3.76Å; V278-M280 PolarHBondContact O-N 3.23Å
279	N	84.8	Confident	81.9	Confident	81 Å²	81	35.8 Å²	35.8	43%	0.433	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	110.3	169.3	-75.5	-41.2	0	0	0	109.2	Y256 H257 Y258	Y256-N279 PolarHBondContact O-N 2.81Å; H257-N279 CarbonylContact C-O 3.53Å; H257-N279 VanDerWaalsContact CA-O 3.28Å; H257-N279 WeakPolarHBondContact CA-O 3.19Å; H257-N279 HydrophobicContact CB-CB 4.23Å; H257-N279 PolarHBondContact CD2-O 3.35Å; Y258-N279 PolarHBondContact N-O 2.98Å
280	M	87.5	Confident	82	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119.4	175.8	-65	176.9	56.9	0	0	108.7	L243 Y258 F260 L270 V278 S396 L397	L243-M280 HydrophobicContact CD1-CE 3.87Å; L243-M280 HydrophobicContact CD2-CE 3.54Å; L243-M280 HydrophobicContact CD2-SD 4.22Å; L243-M280 HydrophobicContact CG-CE 4.38Å; Y258-M280 HydrophobicContact CD2-CG 4.33Å; F260-M280 HydrophobicContact CD2-CE 4.43Å; F260-M280 HydrophobicContact CE2-CE 3.72Å; F260-M280 HydrophobicContact CZ-CE 4.39Å; L270-M280 HydrophobicContact CD2-CE 3.63Å; V278-M280 HydrophobicContact CB-CG 4.36Å; V278-M280 HydrophobicContact CG1-CG 3.76Å; V278-M280 PolarHBondContact O-N 3.23Å; M280-S396 VanDerWaalsContact O-CA 3.27Å; M280-S396 WeakPolarHBondContact O-CA 3.09Å; M280-S396 PolarHBondContact O-OG 3.25Å; M280-L397 HydrophobicContact CB-CB 4Å; M280-L397 HydrophobicContact CB-CD2 4.39Å; M280-L397 HydrophobicContact CG-CD2 4.34Å; M280-L397 PolarHBondContact O-N 3Å; M280-L397 HydrophobicContact SD-CD2 3.7Å
281	T	88.9	Confident	82.1	Confident	10 Å²	10	40.2 Å²	40.2	6%	0.061	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	144.1	173.9	56.6	0	0	0	0	109.7	H257 Y258 I259 F260 V395	H257-T281 WeakPolarHBondContact NE2-CG2 2.99Å; Y258-T281 PolarHBondContact O-N 2.85Å; Y258-T281 PolarHBondContact O-OG1 3.41Å; I259-T281 WeakPolarHBondContact CA-O 3.48Å; I259-T281 WeakPolarHBondContact CG1-OG1 3.43Å; F260-T281 PolarHBondContact N-O 2.03Å; T281-V395 WeakPolarHBondContact CA-O 3.33Å
282	G	89.3	Confident	82.2	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	179.7	172.5	0	0	0	0	0	111.1	V395	G282-V395 PolarHBondContact N-O 3.48Å; G282-V395 WeakPolarHBondContact O-CG2 3.21Å; G282-V395 PolarHBondContact O-N 3.33Å
283	F	88.6	Confident	82.4	Confident	5 Å²	5	39.9 Å²	39.9	2%	0.022	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	148	-177.7	-58.2	-76.7	0	0	0	110.2	I164 L167 I259 F260 L263 L392 D393 I394	I164-F283 HydrophobicContact CB-CZ 4.47Å; I164-F283 HydrophobicContact CD1-CE2 4.49Å; I164-F283 HydrophobicContact CG1-CE2 3.71Å; I164-F283 HydrophobicContact CG1-CZ 3.67Å; L167-F283 HydrophobicContact CD2-CE1 4.08Å; L167-F283 HydrophobicContact CD2-CZ 3.77Å; I259-F283 HydrophobicContact CG2-CE2 3.95Å; I259-F283 HydrophobicContact CG2-CZ 4.29Å; F260-F283 VanDerWaalsContact O-CD2 3.26Å; F260-F283 WeakPolarHBondContact O-CD2 3.33Å; L263-F283 WeakPolarHBondContact CA-O 3.48Å; L263-F283 HydrophobicContact CD2-CB 3.8Å; F283-L392 HydrophobicContact CB-CD1 4.05Å; F283-L392 HydrophobicContact CB-CD2 4.05Å; F283-L392 HydrophobicContact CB-CG 4.13Å; F283-L392 HydrophobicContact CD1-CD2 3.42Å; F283-L392 VanDerWaalsContact CD1-CD2 3.42Å; F283-L392 HydrophobicContact CD1-CG 4.01Å; F283-L392 HydrophobicContact CE1-CD2 4.11Å; F283-L392 HydrophobicContact CG-CD2 3.92Å; F283-L392 HydrophobicContact CG-CG 4.45Å; F283-D393 CarbonylContact C-O 3.3Å; F283-D393 WeakPolarHBondContact CA-O 3.5Å; F283-I394 HydrophobicContact CD1-CG1 3.95Å; F283-I394 HydrophobicContact CE1-CG1 3.94Å
284	R	87.7	Confident	82.4	Confident	18 Å²	18	40 Å²	40	7%	0.068	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	131.2	177.7	178.6	179.5	75.8	176.4	6.6	108.7	M266 L286 D289 D393 V395	M266-R284 HydrophobicContact CE-CG 3.73Å; M266-R284 WeakPolarHBondContact SD-CD 3.21Å; M266-R284 HydrophobicContact SD-CG 4.09Å; R284-L286 WeakPolarHBondContact CD-O 3.31Å; R284-L286 HydrophobicContact CG-CB 4.34Å; R284-L286 WeakPolarHBondContact CG-O 3.2Å; R284-L286 PolarHBondContact NE-O 2.99Å; R284-D289 IonicContact NH2-OD1 2.81Å; R284-D289 IonicContact NH2-OD2 3.83Å; R284-D393 HydrophobicContact CB-CB 4.06Å; R284-D393 IonicContact CZ-OD2 2.83Å; R284-D393 PolarHBondContact N-O 3.46Å; R284-D393 IonicContact NE-OD2 3.36Å; R284-D393 PolarHBondContact NE-OD2 3.15Å; R284-D393 IonicContact NH2-OD2 3.65Å; R284-D393 PolarHBondContact NH2-OD2 3.2Å; R284-D393 WeakPolarHBondContact O-CA 3.25Å; R284-D393 WeakPolarHBondContact O-CB 3.3Å; R284-D393 PolarHBondContact O-N 2.77Å; R284-V395 HydrophobicContact CB-CG1 4.09Å
285	I	88.2	Confident	82.9	Confident	7 Å²	7	40 Å²	40	4%	0.036	22%	0.22	C	C	.	.			trans	-101.3	-22.2	174.2	-164.6	169.8	0	0	0	112.7	P155 L263 N287 T321 T375 L392	P155-I285 HydrophobicContact CG-CD1 3.4Å; L263-I285 HydrophobicContact CD1-CB 4.34Å; L263-I285 HydrophobicContact CD1-CG2 4.1Å; I285-N287 PolarHBondContact O-N 3.39Å; I285-T321 HydrophobicContact CG2-CG2 3.73Å; I285-T375 HydrophobicContact CG1-CG2 4.49Å; I285-T375 HydrophobicContact CG2-CG2 4.1Å; I285-L392 HydrophobicContact CB-CD1 4.46Å
286	L	85.7	Confident	83.3	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.021	20%	0.197	C	C	.	.	S	Bend	trans	-72.6	121.6	178.4	-82	163.7	0	0	0	111	M266 R284 V288 A324 L374	M266-L286 HydrophobicContact CE-CB 4.41Å; M266-L286 HydrophobicContact CE-CD1 4.24Å; R284-L286 WeakPolarHBondContact CD-O 3.31Å; R284-L286 HydrophobicContact CG-CB 4.34Å; R284-L286 WeakPolarHBondContact CG-O 3.2Å; R284-L286 PolarHBondContact NE-O 2.99Å; L286-V288 VanDerWaalsContact C-N 3.29Å; L286-V288 HydrophobicContact CB-CG2 4.16Å; L286-V288 PolarHBondContact O-N 3.22Å; L286-A324 HydrophobicContact CD1-CB 4.31Å; L286-A324 HydrophobicContact CD2-CB 3.58Å; L286-A324 HydrophobicContact CG-CB 4.19Å; L286-L374 HydrophobicContact CD2-CB 3.84Å
287	N	80.8	Confident	83.9	Confident	50 Å²	50	33 Å²	33	27%	0.267	19%	0.186	S	C	.	.			trans	-84.4	72.7	176.4	-172.8	1.4	0	0	0	110.9	I285 D289 N290 V293 L374	I285-N287 PolarHBondContact O-N 3.39Å; N287-D289 PolarHBondContact O-N 2.75Å; N287-N290 WeakPolarHBondContact O-CB 3.24Å; N287-N290 PolarHBondContact O-N 3.49Å; N287-V293 WeakPolarHBondContact O-CB 3.41Å; N287-L374 PolarHBondContact N-O 3.02Å
288	V	75.8	Confident	84.4	Confident	18 Å²	18	36.3 Å²	36.3	11%	0.109	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.7	-179	-172.6	0	0	0	0	112.1	L286 N290 F414	L286-V288 VanDerWaalsContact C-N 3.29Å; L286-V288 HydrophobicContact CB-CG2 4.16Å; L286-V288 PolarHBondContact O-N 3.22Å; V288-N290 PolarHBondContact O-N 3.31Å; V288-F414 HydrophobicContact CG1-CE2 4.31Å
289	D	76.8	Confident	84.4	Confident	96 Å²	96	41.4 Å²	41.4	51%	0.513	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.3	177.8	-56.4	-28.6	0	0	0	112.1	R284 N287	R284-D289 IonicContact NH2-OD1 2.81Å; R284-D289 IonicContact NH2-OD2 3.83Å; N287-D289 PolarHBondContact O-N 2.75Å
290	N	83.1	Confident	84.2	Confident	60 Å²	60	38 Å²	38	32%	0.321	20%	0.2	S	C	.	.	S	Bend	trans	-77.3	122.3	174.3	-175.1	-19.8	0	0	0	110.4	N287 V288 Q292 V293 A294	N287-N290 WeakPolarHBondContact O-CB 3.24Å; N287-N290 PolarHBondContact O-N 3.49Å; V288-N290 PolarHBondContact O-N 3.31Å; N290-Q292 PolarHBondContact O-N 3.17Å; N290-Q292 VanDerWaalsContact O-N 3.16Å; N290-Q292 PolarHBondContact OD1-N 3.49Å; N290-V293 HydrophobicContact CB-CB 4.23Å; N290-V293 HydrophobicContact CB-CG2 3.91Å; N290-V293 PolarHBondContact O-N 3.49Å; N290-V293 VanDerWaalsContact O-N 3.08Å; N290-A294 PolarHBondContact O-N 3.21Å
291	P	84.2	Confident	83.8	Confident	93 Å²	93	39.4 Å²	39.4	60%	0.604	21%	0.21	S	C	*	.	H	α-helix	trans	-60.4	-29.4	-177.8	24.1	-35.2	0	0	0	113.7	S295	P291-S295 WeakPolarHBondContact O-CB 3.43Å; P291-S295 PolarHBondContact O-N 3.36Å
292	Q	82.3	Confident	83.1	Confident	135 Å²	135	44.7 Å²	44.7	63%	0.631	24%	0.236	S	C	*	.	H	α-helix	trans	-65.7	-47.1	176.2	-65.4	-64.5	-55.5	0	0	110.9	N290 S295 I296	N290-Q292 PolarHBondContact O-N 3.17Å; N290-Q292 VanDerWaalsContact O-N 3.16Å; N290-Q292 PolarHBondContact OD1-N 3.49Å; Q292-S295 PolarHBondContact O-N 2.88Å; Q292-S295 PolarHBondContact O-OG 3.38Å; Q292-I296 WeakPolarHBondContact O-CG1 3.16Å; Q292-I296 PolarHBondContact O-N 3.01Å
293	V	85.6	Confident	82.2	Confident	6 Å²	6	50 Å²	50	4%	0.036	26%	0.261	C	S	.	.	H	α-helix	trans	-64.1	-46.2	178	178.6	0	0	0	0	110.1	N287 N290 S295 I296 V297 L374	N287-V293 WeakPolarHBondContact O-CB 3.41Å; N290-V293 HydrophobicContact CB-CB 4.23Å; N290-V293 HydrophobicContact CB-CG2 3.91Å; N290-V293 PolarHBondContact O-N 3.49Å; N290-V293 VanDerWaalsContact O-N 3.08Å; V293-S295 VanDerWaalsContact C-N 3.3Å; V293-S295 PolarHBondContact O-N 2.81Å; V293-I296 PolarHBondContact O-N 3.05Å; V293-I296 VanDerWaalsContact O-N 3.08Å; V293-V297 HydrophobicContact CG1-CG2 4.35Å; V293-V297 WeakPolarHBondContact O-CG2 3.21Å; V293-V297 PolarHBondContact O-N 2.91Å; V293-L374 HydrophobicContact CB-CD2 4.33Å; V293-L374 HydrophobicContact CG1-CB 4.43Å; V293-L374 HydrophobicContact CG1-CD2 3.97Å; V293-L374 HydrophobicContact CG2-CD2 4.19Å
294	A	82.8	Confident	81	Confident	19 Å²	19	53 Å²	53	16%	0.157	27%	0.271	C	S	.	.	H	α-helix	trans	-55.8	-43.2	176.8	0	0	0	0	0	112.3	N290 I296 V297 E298	N290-A294 PolarHBondContact O-N 3.21Å; A294-I296 VanDerWaalsContact C-N 3.31Å; A294-I296 PolarHBondContact O-N 3.34Å; A294-V297 PolarHBondContact O-N 3.38Å; A294-E298 WeakPolarHBondContact O-CB 3.41Å; A294-E298 PolarHBondContact O-N 3.27Å
295	S	85.1	Confident	79.4	Confident	38 Å²	38	60.3 Å²	60.3	27%	0.266	31%	0.307	S	S	.	.	H	α-helix	trans	-65.3	-32	178.2	80	0	0	0	0	113.7	P291 Q292 V293 K299	P291-S295 WeakPolarHBondContact O-CB 3.43Å; P291-S295 PolarHBondContact O-N 3.36Å; Q292-S295 PolarHBondContact O-N 2.88Å; Q292-S295 PolarHBondContact O-OG 3.38Å; V293-S295 VanDerWaalsContact C-N 3.3Å; V293-S295 PolarHBondContact O-N 2.81Å; S295-K299 VanDerWaalsContact O-CG 3.29Å; S295-K299 WeakPolarHBondContact O-CG 2.89Å; S295-K299 PolarHBondContact O-N 2.94Å; S295-K299 VanDerWaalsContact O-N 3.14Å
296	I	85.5	Confident	77.8	Confident	25 Å²	25	63.5 Å²	63.5	13%	0.128	32%	0.323	C	S	.	.	H	α-helix	trans	-75.4	-42.8	178.2	-66.4	166.5	0	0	0	109.9	F63 Q292 V293 A294 E298 K299 W300 M319 Y327 L374	F63-I296 HydrophobicContact CE1-CG2 3.91Å; F63-I296 HydrophobicContact CZ-CG2 4.38Å; Q292-I296 WeakPolarHBondContact O-CG1 3.16Å; Q292-I296 PolarHBondContact O-N 3.01Å; V293-I296 PolarHBondContact O-N 3.05Å; V293-I296 VanDerWaalsContact O-N 3.08Å; A294-I296 VanDerWaalsContact C-N 3.31Å; A294-I296 PolarHBondContact O-N 3.34Å; I296-E298 VanDerWaalsContact C-N 3.3Å; I296-E298 PolarHBondContact O-N 3.14Å; I296-K299 PolarHBondContact O-N 3.31Å; I296-W300 WeakPolarHBondContact O-CB 3.44Å; I296-W300 PolarHBondContact O-N 3.46Å; I296-M319 HydrophobicContact CG2-CE 4.42Å; I296-Y327 HydrophobicContact CD1-CE1 4.46Å; I296-Y327 HydrophobicContact CG2-CE2 4.3Å; I296-L374 HydrophobicContact CB-CD2 4.15Å; I296-L374 HydrophobicContact CD1-CD2 3.8Å; I296-L374 HydrophobicContact CG2-CD1 4.4Å; I296-L374 HydrophobicContact CG2-CD2 4.04Å
297	V	83.9	Confident	76.1	Confident	4 Å²	4	68.4 Å²	68.4	2%	0.024	36%	0.355	C	S	.	.	H	α-helix	trans	-62.2	-39.2	175	174.7	0	0	0	0	111	V293 A294 W300 S301 M319	V293-V297 HydrophobicContact CG1-CG2 4.35Å; V293-V297 WeakPolarHBondContact O-CG2 3.21Å; V293-V297 PolarHBondContact O-N 2.91Å; A294-V297 PolarHBondContact O-N 3.38Å; V297-W300 WeakPolarHBondContact O-CB 3.24Å; V297-W300 PolarHBondContact O-N 3.1Å; V297-S301 PolarHBondContact O-N 3.5Å; V297-M319 HydrophobicContact CG2-CB 4.47Å; V297-M319 HydrophobicContact CG2-SD 4.37Å
298	E	81.8	Confident	74.6	Confident	85 Å²	85	70.9 Å²	70.9	40%	0.397	37%	0.374	S	S	.	.	H	α-helix	trans	-63.3	-47.8	174.8	-174	177.2	-165.1	0	0	111.7	A294 I296 W300 S301 M302 I412	A294-E298 WeakPolarHBondContact O-CB 3.41Å; A294-E298 PolarHBondContact O-N 3.27Å; I296-E298 VanDerWaalsContact C-N 3.3Å; I296-E298 PolarHBondContact O-N 3.14Å; E298-W300 VanDerWaalsContact C-N 3.3Å; E298-W300 PolarHBondContact O-N 3.01Å; E298-S301 PolarHBondContact O-N 2.83Å; E298-S301 VanDerWaalsContact O-N 3.14Å; E298-S301 PolarHBondContact O-OG 2.98Å; E298-M302 HydrophobicContact CG-CE 3.95Å; E298-M302 PolarHBondContact O-N 2.84Å; E298-I412 HydrophobicContact CB-CD1 4.17Å; E298-I412 HydrophobicContact CG-CD1 4.46Å
299	K	83.3	Confident	73.6	Confident	114 Å²	114	76.9 Å²	76.9	50%	0.496	40%	0.398	S	S	.	.	H	α-helix	trans	-57.9	-42.9	175.4	-74.3	169	-176.1	172.3	0	112.1	F63 S295 I296 S301 M302 E303	F63-K299 HydrophobicContact CZ-CB 4.19Å; S295-K299 VanDerWaalsContact O-CG 3.29Å; S295-K299 WeakPolarHBondContact O-CG 2.89Å; S295-K299 PolarHBondContact O-N 2.94Å; S295-K299 VanDerWaalsContact O-N 3.14Å; I296-K299 PolarHBondContact O-N 3.31Å; K299-S301 VanDerWaalsContact C-N 3.34Å; K299-S301 PolarHBondContact O-N 3.4Å; K299-M302 PolarHBondContact O-N 3.04Å; K299-E303 PolarHBondContact O-N 2.94Å
300	W	82.4	Confident	72.4	Confident	8 Å²	8	78 Å²	78	3%	0.03	41%	0.411	C	S	.	.	H	α-helix	trans	-59.6	-44	175.7	171.9	-98.6	0	0	0	112.2	L59 A60 F63 I296 V297 E298 M302 E303 R304 M319 A323	L59-W300 HydrophobicContact CB-CH2 3.63Å; L59-W300 HydrophobicContact CB-CZ3 4.19Å; A60-W300 HydrophobicContact CB-CH2 3.9Å; A60-W300 HydrophobicContact CB-CZ3 4.16Å; F63-W300 HydrophobicContact CB-CE3 4.09Å; F63-W300 HydrophobicContact CB-CZ3 3.81Å; F63-W300 AromaticContact CD1-CE3 3.73Å; F63-W300 HydrophobicContact CD1-CE3 3.73Å; F63-W300 HydrophobicContact CD1-CZ3 4.22Å; F63-W300 HydrophobicContact CD2-CE3 4.45Å; F63-W300 HydrophobicContact CE1-CB 4.38Å; F63-W300 HydrophobicContact CE1-CE3 4.23Å; F63-W300 AromaticContact CG-CE3 3.84Å; F63-W300 HydrophobicContact CG-CE3 3.84Å; F63-W300 HydrophobicContact CG-CZ3 4.1Å; F63-W300 HydrophobicContact CZ-CB 4.44Å; I296-W300 WeakPolarHBondContact O-CB 3.44Å; I296-W300 PolarHBondContact O-N 3.46Å; V297-W300 WeakPolarHBondContact O-CB 3.24Å; V297-W300 PolarHBondContact O-N 3.1Å; E298-W300 VanDerWaalsContact C-N 3.3Å; E298-W300 PolarHBondContact O-N 3.01Å; W300-M302 VanDerWaalsContact C-N 3.26Å; W300-M302 PolarHBondContact O-N 3.41Å; W300-E303 PolarHBondContact O-N 3.33Å; W300-R304 PolarHBondContact O-N 3.25Å; W300-M319 HydrophobicContact CB-CE 3.47Å; W300-M319 VanDerWaalsContact CB-CE 3.47Å; W300-M319 HydrophobicContact CD2-CE 3.77Å; W300-M319 HydrophobicContact CE3-CE 4.24Å; W300-M319 HydrophobicContact CG-CB 4.36Å; W300-M319 HydrophobicContact CG-CE 3.42Å; W300-M319 VanDerWaalsContact CG-CE 3.42Å; W300-A323 HydrophobicContact CZ2-CB 4.35Å
301	S	78.4	Confident	71	Confident	31 Å²	31	81.7 Å²	81.7	22%	0.217	43%	0.431	C	S	.	.	H	α-helix	trans	-62.2	-33.3	179.1	76.7	0	0	0	0	112.8	V297 E298 K299 G317	V297-S301 PolarHBondContact O-N 3.5Å; E298-S301 PolarHBondContact O-N 2.83Å; E298-S301 VanDerWaalsContact O-N 3.14Å; E298-S301 PolarHBondContact O-OG 2.98Å; K299-S301 VanDerWaalsContact C-N 3.34Å; K299-S301 PolarHBondContact O-N 3.4Å; S301-G317 WeakPolarHBondContact CA-O 3.43Å; S301-G317 VanDerWaalsContact CB-O 3.24Å; S301-G317 WeakPolarHBondContact CB-O 3.42Å
302	M	74.6	Confident	69.9	Low	121 Å²	121	79.8 Å²	79.8	60%	0.596	42%	0.42	S	S	*	.	H	α-helix	trans	-73.1	-30.8	178.8	-67.3	-177.4	-179.2	0	0	113.2	E298 K299 W300 R304	E298-M302 HydrophobicContact CG-CE 3.95Å; E298-M302 PolarHBondContact O-N 2.84Å; K299-M302 PolarHBondContact O-N 3.04Å; W300-M302 VanDerWaalsContact C-N 3.26Å; W300-M302 PolarHBondContact O-N 3.41Å; M302-R304 VanDerWaalsContact C-N 3.3Å
303	E	69.3	Low	68.7	Low	114 Å²	114	74.9 Å²	74.9	53%	0.533	41%	0.405	S	S	.	.	H	α-helix	trans	-79.6	-16.1	-178.5	-150.7	163.3	-160.6	0	0	112.3	F63 K299 W300	F63-E303 WeakPolarHBondContact CD2-OE2 3.44Å; F63-E303 VanDerWaalsContact CE2-OE2 3.24Å; F63-E303 WeakPolarHBondContact CE2-OE2 3.23Å; K299-E303 PolarHBondContact O-N 2.94Å; W300-E303 PolarHBondContact O-N 3.33Å
304	R	64.8	Low	67.9	Low	66 Å²	66	76.6 Å²	76.6	25%	0.249	41%	0.414	C	S	.	.			trans	-105.9	63.7	-177.7	-159	-178.7	-173	-172.4	2.9	111.9	W300 M302 I306 I318	W300-R304 PolarHBondContact O-N 3.25Å; M302-R304 VanDerWaalsContact C-N 3.3Å; R304-I306 HydrophobicContact CG-CD1 4.15Å; R304-I306 HydrophobicContact CG-CG1 4.49Å; R304-I306 PolarHBondContact O-N 2.86Å; R304-I318 PolarHBondContact NH1-O 3.06Å
305	Q	53.2	Low	67.1	Low	173 Å²	173	78.3 Å²	78.3	81%	0.808	42%	0.42	S	S	*	.			trans	-87.1	81.3	169.2	-73.9	-174	8.3	0	0	110.9
306	I	54.6	Low	66.1	Low	74 Å²	74	80.8 Å²	80.8	38%	0.379	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-92.8	142.9	164.9	-60.1	168.6	0	0	0	106.7	R304	R304-I306 HydrophobicContact CG-CD1 4.15Å; R304-I306 HydrophobicContact CG-CG1 4.49Å; R304-I306 PolarHBondContact O-N 2.86Å
307	P	49.4	Very low	65.2	Low	107 Å²	107	80.1 Å²	80.1	70%	0.695	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-67.2	137.4	175.6	24.4	-32.2	0	0	0	111.5
308	P	49.2	Very low	64.7	Low	102 Å²	102	80.5 Å²	80.5	66%	0.662	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-67.8	135	-170.6	23.8	-32.4	0	0	0	114.2	P310 E316	P308-P310 VanDerWaalsContact O-CD 3.25Å; P308-P310 WeakPolarHBondContact O-CD 3.44Å; P308-E316 VanDerWaalsContact CA-OE1 3.3Å; P308-E316 WeakPolarHBondContact CA-OE1 3.34Å; P308-E316 VanDerWaalsContact CA-OE2 3.28Å; P308-E316 WeakPolarHBondContact CA-OE2 3.33Å
309	K	55.2	Low	64.7	Low	143 Å²	143	76.7 Å²	76.7	62%	0.622	41%	0.411	S	S	*	.			trans	-95.9	98.5	165.3	-78.8	-173.6	-179.7	178.5	0	110.8	D311 S312 E316	K309-D311 VanDerWaalsContact C-N 3.25Å; K309-D311 PolarHBondContact O-N 3.02Å; K309-D311 VanDerWaalsContact O-N 3.15Å; K309-S312 PolarHBondContact O-N 3.05Å; K309-S312 PolarHBondContact O-OG 3.28Å; K309-S312 VanDerWaalsContact O-OG 3.1Å; K309-E316 PolarHBondContact N-OE1 3.4Å
310	P	52.3	Low	64.8	Low	121 Å²	121	72.1 Å²	72.1	79%	0.786	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.5	-171.6	24.4	-33.8	0	0	0	115.1	P308	P308-P310 VanDerWaalsContact O-CD 3.25Å; P308-P310 WeakPolarHBondContact O-CD 3.44Å
311	D	53.7	Low	65.1	Low	137 Å²	137	72 Å²	72	73%	0.733	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-7	-173.7	-72.1	-38	0	0	0	115.5	K309	K309-D311 VanDerWaalsContact C-N 3.25Å; K309-D311 PolarHBondContact O-N 3.02Å; K309-D311 VanDerWaalsContact O-N 3.15Å
312	S	59.8	Low	65.4	Low	53 Å²	53	71.4 Å²	71.4	37%	0.371	39%	0.387	S	S	.	.	S	Bend	trans	-83.5	-19.9	-171.4	64.7	0	0	0	0	115	K309 L314	K309-S312 PolarHBondContact O-N 3.05Å; K309-S312 PolarHBondContact O-OG 3.28Å; K309-S312 VanDerWaalsContact O-OG 3.1Å; S312-L314 PolarHBondContact O-N 2.81Å
313	G	57.9	Low	66.1	Low	32 Å²	32	65.7 Å²	65.7	33%	0.33	36%	0.359	S	S	.	.			trans	68.6	17.5	-177.1	0	0	0	0	0	114.5	D269	D269-G313 PolarHBondContact N-O 3.1Å
314	L	69.5	Low	67.1	Low	41 Å²	41	60.2 Å²	60.2	22%	0.215	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-111.5	144.2	179.4	-63.9	167	0	0	0	110.3	H237 A240 A267 I268 S312	H237-L314 WeakPolarHBondContact ND1-CD1 3.44Å; A240-L314 HydrophobicContact CB-CD2 4.06Å; A267-L314 CarbonylContact O-C 3.59Å; A267-L314 WeakPolarHBondContact O-CA 3.42Å; A267-L314 WeakPolarHBondContact O-CD2 2.96Å; I268-L314 HydrophobicContact CG1-CD2 4.15Å; S312-L314 PolarHBondContact O-N 2.81Å
315	L	64.9	Low	68.3	Low	56 Å²	56	57.1 Å²	57.1	29%	0.293	32%	0.322	S	S	.	.			trans	-84.7	126.2	175.2	-66.6	171.7	0	0	0	109.9	A267 D269 I318	A267-L315 PolarHBondContact O-N 2.83Å; D269-L315 HydrophobicContact CB-CD2 4.12Å; D269-L315 HydrophobicContact CB-CG 4.21Å; L315-I318 HydrophobicContact CB-CD1 3.46Å; L315-I318 VanDerWaalsContact CB-CD1 3.46Å; L315-I318 HydrophobicContact CB-CG1 4.19Å; L315-I318 HydrophobicContact CD1-CD1 3.78Å; L315-I318 HydrophobicContact CG-CD1 4.26Å
316	E	64.6	Low	70.1	Confident	90 Å²	90	49 Å²	49	42%	0.421	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	150.9	178.7	-67.4	-175.6	-174.7	0	0	112.1	P308 K309 I318	P308-E316 VanDerWaalsContact CA-OE1 3.3Å; P308-E316 WeakPolarHBondContact CA-OE1 3.34Å; P308-E316 VanDerWaalsContact CA-OE2 3.28Å; P308-E316 WeakPolarHBondContact CA-OE2 3.33Å; K309-E316 PolarHBondContact N-OE1 3.4Å; E316-I318 VanDerWaalsContact C-N 3.33Å; E316-I318 PolarHBondContact O-N 2.89Å
317	G	65.5	Low	71.9	Confident	11 Å²	11	46 Å²	46	11%	0.113	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	-2.4	-179.9	0	0	0	0	0	115.5	S301	S301-G317 WeakPolarHBondContact CA-O 3.43Å; S301-G317 VanDerWaalsContact CB-O 3.24Å; S301-G317 WeakPolarHBondContact CB-O 3.42Å
318	I	74.9	Confident	73.9	Confident	11 Å²	11	40.9 Å²	40.9	6%	0.056	24%	0.235	C	C	.	.			trans	-78.1	140.9	174.1	-58.8	-176.7	0	0	0	110.2	M266 R304 L315 E316	M266-I318 WeakPolarHBondContact O-CD1 3.48Å; R304-I318 PolarHBondContact NH1-O 3.06Å; L315-I318 HydrophobicContact CB-CD1 3.46Å; L315-I318 VanDerWaalsContact CB-CD1 3.46Å; L315-I318 HydrophobicContact CB-CG1 4.19Å; L315-I318 HydrophobicContact CD1-CD1 3.78Å; L315-I318 HydrophobicContact CG-CD1 4.26Å; E316-I318 VanDerWaalsContact C-N 3.33Å; E316-I318 PolarHBondContact O-N 2.89Å
319	M	81.4	Confident	75.9	Confident	5 Å²	5	36.1 Å²	36.1	3%	0.025	20%	0.204	C	C	.	.			trans	-78.8	116	171.6	-173.9	175.5	-73	0	0	109.2	F63 I296 V297 W300 A323 A324 L374	F63-M319 HydrophobicContact CE1-CE 4.49Å; I296-M319 HydrophobicContact CG2-CE 4.42Å; V297-M319 HydrophobicContact CG2-CB 4.47Å; V297-M319 HydrophobicContact CG2-SD 4.37Å; W300-M319 HydrophobicContact CB-CE 3.47Å; W300-M319 VanDerWaalsContact CB-CE 3.47Å; W300-M319 HydrophobicContact CD2-CE 3.77Å; W300-M319 HydrophobicContact CE3-CE 4.24Å; W300-M319 HydrophobicContact CG-CB 4.36Å; W300-M319 HydrophobicContact CG-CE 3.42Å; W300-M319 VanDerWaalsContact CG-CE 3.42Å; M319-A323 HydrophobicContact CG-CB 4.07Å; M319-A324 HydrophobicContact CG-CB 4.31Å; M319-A324 HydrophobicContact SD-CB 4.08Å; M319-L374 HydrophobicContact CE-CD1 4.35Å; M319-L374 HydrophobicContact SD-CD1 3.56Å; M319-L374 VanDerWaalsContact SD-CD1 3.56Å
320	T	85.1	Confident	77.6	Confident	19 Å²	19	29.4 Å²	29.4	12%	0.117	18%	0.175	C	C	.	.			trans	-71	160.3	174.7	56.9	0	0	0	0	110.8	D322 A323 A324	T320-D322 PolarHBondContact O-N 3.43Å; T320-A323 WeakPolarHBondContact O-CB 3.17Å; T320-A323 PolarHBondContact O-N 2.99Å; T320-A323 WeakPolarHBondContact OG1-CB 3.17Å; T320-A323 PolarHBondContact OG1-N 3.3Å; T320-A324 PolarHBondContact O-N 3.36Å
321	T	87.8	Confident	79.4	Confident	5 Å²	5	24.1 Å²	24.1	3%	0.031	14%	0.14	C	C	.	.	H	α-helix	trans	-61.2	-41.4	176.8	48.7	0	0	0	0	112.9	L263 D264 I285 A323 A324 L325	L263-T321 HydrophobicContact CB-CG2 3.5Å; L263-T321 VanDerWaalsContact CB-CG2 3.5Å; L263-T321 HydrophobicContact CD1-CG2 4.43Å; D264-T321 VanDerWaalsContact CG-OG1 3.29Å; D264-T321 WeakPolarHBondContact OD1-CB 3.34Å; D264-T321 VanDerWaalsContact OD1-CG2 3.28Å; D264-T321 WeakPolarHBondContact OD1-CG2 3.5Å; D264-T321 PolarHBondContact OD1-N 3.05Å; D264-T321 PolarHBondContact OD1-OG1 3.06Å; D264-T321 PolarHBondContact OD2-OG1 3.03Å; I285-T321 HydrophobicContact CG2-CG2 3.73Å; T321-A323 VanDerWaalsContact C-N 3.29Å; T321-A323 PolarHBondContact O-N 2.82Å; T321-A324 PolarHBondContact O-N 3.37Å; T321-A324 VanDerWaalsContact O-N 3.15Å; T321-L325 WeakPolarHBondContact O-CB 3.46Å; T321-L325 WeakPolarHBondContact O-CG 3.37Å; T321-L325 PolarHBondContact O-N 3.26Å
322	D	86.7	Confident	81.2	Confident	19 Å²	19	17.7 Å²	17.7	10%	0.102	11%	0.106	C	C	.	.	H	α-helix	trans	-58.1	-40.7	174.6	-69.1	-19.2	0	0	0	112	E57 R137 T320 T326	E57-D322 HydrophobicContact CG-CB 4.09Å; R137-D322 IonicContact CZ-OD2 3.66Å; R137-D322 IonicContact NE-OD1 3.97Å; R137-D322 IonicContact NE-OD2 3.71Å; R137-D322 PolarHBondContact NE-OD2 3.39Å; R137-D322 VanDerWaalsContact NE-OD2 3.16Å; R137-D322 IonicContact NH2-OD2 3.45Å; R137-D322 PolarHBondContact NH2-OD2 2.88Å; T320-D322 PolarHBondContact O-N 3.43Å; D322-T326 WeakPolarHBondContact O-CB 3.41Å; D322-T326 PolarHBondContact O-N 3.31Å; D322-T326 PolarHBondContact O-OG1 3.16Å
323	A	87.7	Confident	82.6	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.3	-42.1	175.7	0	0	0	0	0	111.9	A60 W300 M319 T320 T321 T326 Y327	A60-A323 HydrophobicContact CB-CB 3.72Å; A60-A323 WeakPolarHBondContact CB-O 3.33Å; W300-A323 HydrophobicContact CZ2-CB 4.35Å; M319-A323 HydrophobicContact CG-CB 4.07Å; T320-A323 WeakPolarHBondContact O-CB 3.17Å; T320-A323 PolarHBondContact O-N 2.99Å; T320-A323 WeakPolarHBondContact OG1-CB 3.17Å; T320-A323 PolarHBondContact OG1-N 3.3Å; T321-A323 VanDerWaalsContact C-N 3.29Å; T321-A323 PolarHBondContact O-N 2.82Å; A323-T326 PolarHBondContact O-N 3.45Å; A323-Y327 PolarHBondContact O-N 2.98Å
324	A	90.3	Very high	84	Confident	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.7	-42.7	177.2	0	0	0	0	0	112.5	L286 M319 T320 T321 T326 Y327 D328 L374 T375	L286-A324 HydrophobicContact CD1-CB 4.31Å; L286-A324 HydrophobicContact CD2-CB 3.58Å; L286-A324 HydrophobicContact CG-CB 4.19Å; M319-A324 HydrophobicContact CG-CB 4.31Å; M319-A324 HydrophobicContact SD-CB 4.08Å; T320-A324 PolarHBondContact O-N 3.36Å; T321-A324 PolarHBondContact O-N 3.37Å; T321-A324 VanDerWaalsContact O-N 3.15Å; A324-T326 VanDerWaalsContact C-N 3.34Å; A324-Y327 WeakPolarHBondContact O-CB 3.41Å; A324-Y327 PolarHBondContact O-N 3.01Å; A324-D328 PolarHBondContact O-N 3.33Å; A324-L374 HydrophobicContact CB-CB 4.42Å; A324-L374 HydrophobicContact CB-CD1 4.33Å; A324-T375 HydrophobicContact CB-CG2 4.16Å
325	L	91.6	Very high	84.9	Confident	1 Å²	1	12.5 Å²	12.5	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-64.7	-39.3	175.3	-70.2	173.1	0	0	0	111.3	V136 L153 Y154 T321 Y327 D328 A329 T375	V136-L325 HydrophobicContact CB-CB 4.28Å; V136-L325 HydrophobicContact CG1-CB 4.43Å; L153-L325 HydrophobicContact CB-CD2 4.32Å; Y154-L325 HydrophobicContact CD2-CD1 3.77Å; Y154-L325 HydrophobicContact CE2-CD1 4.42Å; T321-L325 WeakPolarHBondContact O-CB 3.46Å; T321-L325 WeakPolarHBondContact O-CG 3.37Å; T321-L325 PolarHBondContact O-N 3.26Å; L325-Y327 VanDerWaalsContact C-N 3.34Å; L325-D328 PolarHBondContact O-N 3.36Å; L325-A329 VanDerWaalsContact O-CB 3.28Å; L325-A329 WeakPolarHBondContact O-CB 3.31Å; L325-A329 PolarHBondContact O-N 3.46Å; L325-T375 HydrophobicContact CD2-CG2 3.81Å; L325-T375 HydrophobicContact CG-CG2 4.33Å
326	T	90.8	Very high	86	Confident	3 Å²	3	9.9 Å²	9.9	2%	0.018	5%	0.053	C	C	.	.	H	α-helix	trans	-63.5	-41	174.6	-57.1	0	0	0	0	111.6	A60 F61 D322 A323 A324 A329 V330	A60-T326 HydrophobicContact CB-CG2 4.42Å; F61-T326 HydrophobicContact CB-CG2 3.82Å; F61-T326 HydrophobicContact CD2-CG2 4.32Å; D322-T326 WeakPolarHBondContact O-CB 3.41Å; D322-T326 PolarHBondContact O-N 3.31Å; D322-T326 PolarHBondContact O-OG1 3.16Å; A323-T326 PolarHBondContact O-N 3.45Å; A324-T326 VanDerWaalsContact C-N 3.34Å; T326-A329 WeakPolarHBondContact O-CB 3.4Å; T326-A329 PolarHBondContact O-N 3.03Å; T326-V330 WeakPolarHBondContact O-CG2 3.34Å; T326-V330 PolarHBondContact O-N 2.6Å
327	Y	91.1	Very high	87.1	Confident	10 Å²	10	6.8 Å²	6.8	4%	0.039	4%	0.038	C	C	.	.	H	α-helix	trans	-61.4	-48.5	174.7	-177.4	-86.6	0	0	0	111.4	F63 A64 N67 I296 A323 A324 L325 A329 V330 H331 L374	F63-Y327 AromaticContact CD1-CD2 3.85Å; F63-Y327 HydrophobicContact CD1-CD2 3.85Å; F63-Y327 AromaticContact CD1-CE2 3.87Å; F63-Y327 HydrophobicContact CD1-CE2 3.87Å; F63-Y327 HydrophobicContact CE1-CD2 4.17Å; F63-Y327 AromaticContact CE1-CE2 3.86Å; F63-Y327 HydrophobicContact CE1-CE2 3.86Å; A64-Y327 HydrophobicContact CB-CD2 3.51Å; A64-Y327 HydrophobicContact CB-CE2 4.01Å; A64-Y327 HydrophobicContact CB-CG 4.13Å; N67-Y327 PolarHBondContact ND2-OH 2.92Å; I296-Y327 HydrophobicContact CD1-CE1 4.46Å; I296-Y327 HydrophobicContact CG2-CE2 4.3Å; A323-Y327 PolarHBondContact O-N 2.98Å; A324-Y327 WeakPolarHBondContact O-CB 3.41Å; A324-Y327 PolarHBondContact O-N 3.01Å; L325-Y327 VanDerWaalsContact C-N 3.34Å; Y327-A329 VanDerWaalsContact C-N 3.29Å; Y327-A329 PolarHBondContact O-N 3.41Å; Y327-V330 PolarHBondContact O-N 3.32Å; Y327-H331 AromaticContact CD1-CD2 3.58Å; Y327-H331 AromaticContact CD1-NE2 3.93Å; Y327-H331 AromaticContact CE1-CD2 3.24Å; Y327-H331 WeakPolarHBondContact CE1-CD2 3.45Å; Y327-H331 AromaticContact CE1-NE2 3.17Å; Y327-H331 WeakPolarHBondContact CE1-NE2 3.45Å; Y327-H331 AromaticContact CE2-NE2 3.89Å; Y327-H331 AromaticContact CZ-CD2 3.7Å; Y327-H331 AromaticContact CZ-NE2 3.13Å; Y327-H331 PolarHBondContact O-CD2 2.71Å; Y327-H331 VanDerWaalsContact O-CD2 3.27Å; Y327-H331 PolarHBondContact O-N 3.05Å; Y327-H331 PolarHBondContact OH-NE2 2.83Å; Y327-H331 VanDerWaalsContact OH-NE2 3.13Å; Y327-L374 HydrophobicContact CD1-CD1 3.35Å; Y327-L374 HydrophobicContact CD1-CD2 4.37Å; Y327-L374 HydrophobicContact CD1-CG 3.65Å; Y327-L374 HydrophobicContact CE1-CD1 3.93Å; Y327-L374 HydrophobicContact CE1-CD2 4.19Å; Y327-L374 HydrophobicContact CE1-CG 3.95Å; Y327-L374 HydrophobicContact CG-CD1 3.74Å
328	D	92	Very high	88.1	Confident	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.9	-34.8	176.8	-75.3	-13.3	0	0	0	112.3	L153 A324 L325 H331 I332 G373 L374 T375 L378	L153-D328 HydrophobicContact CD2-CB 4.25Å; A324-D328 PolarHBondContact O-N 3.33Å; L325-D328 PolarHBondContact O-N 3.36Å; D328-H331 PolarHBondContact O-N 3.47Å; D328-I332 PolarHBondContact O-N 3.46Å; D328-G373 VanDerWaalsContact OD1-CA 3.26Å; D328-G373 WeakPolarHBondContact OD1-CA 3.41Å; D328-L374 PolarHBondContact OD1-N 2.84Å; D328-L374 PolarHBondContact OD2-N 2.74Å; D328-T375 WeakPolarHBondContact OD2-CB 3.2Å; D328-T375 WeakPolarHBondContact OD2-CG2 3.01Å; D328-T375 PolarHBondContact OD2-N 3.19Å; D328-T375 PolarHBondContact OD2-OG1 3.48Å; D328-L378 HydrophobicContact CB-CD1 3.78Å
329	A	91.4	Very high	88.5	Confident	1 Å²	1	16.4 Å²	16.4	1%	0.008	8%	0.079	C	C	.	.	H	α-helix	trans	-60.7	-45.7	176.6	0	0	0	0	0	112.1	F111 I134 V136 L153 L325 T326 Y327 H331 I332 V333	F111-A329 HydrophobicContact CD1-CB 4.07Å; F111-A329 HydrophobicContact CE1-CB 3.71Å; I134-A329 HydrophobicContact CG2-CB 3.87Å; V136-A329 HydrophobicContact CG1-CB 4.2Å; L153-A329 HydrophobicContact CD1-CB 4.21Å; L153-A329 VanDerWaalsContact CD2-CA 3.44Å; L153-A329 HydrophobicContact CD2-CB 3.67Å; L325-A329 VanDerWaalsContact O-CB 3.28Å; L325-A329 WeakPolarHBondContact O-CB 3.31Å; L325-A329 PolarHBondContact O-N 3.46Å; T326-A329 WeakPolarHBondContact O-CB 3.4Å; T326-A329 PolarHBondContact O-N 3.03Å; Y327-A329 VanDerWaalsContact C-N 3.29Å; Y327-A329 PolarHBondContact O-N 3.41Å; A329-H331 VanDerWaalsContact C-N 3.32Å; A329-I332 PolarHBondContact O-N 3.27Å; A329-V333 WeakPolarHBondContact O-CG2 3.31Å; A329-V333 PolarHBondContact O-N 2.96Å; A329-V333 VanDerWaalsContact O-N 3.13Å
330	V	90.9	Very high	88.6	Confident	2 Å²	2	16.9 Å²	16.9	1%	0.012	8%	0.084	C	C	.	.	H	α-helix	trans	-64.8	-40.4	178	179.9	0	0	0	0	110.5	F61 A64 V65 I68 L80 F111 T326 Y327 V333 S334	F61-V330 HydrophobicContact CD2-CG2 3.4Å; F61-V330 VanDerWaalsContact CD2-CG2 3.4Å; F61-V330 HydrophobicContact CE2-CG2 3.64Å; F61-V330 HydrophobicContact CG-CG2 4.43Å; A64-V330 HydrophobicContact CB-CB 3.84Å; A64-V330 HydrophobicContact CB-CG1 4.08Å; A64-V330 HydrophobicContact CB-CG2 4.01Å; V65-V330 HydrophobicContact CG2-CG1 3.83Å; I68-V330 HydrophobicContact CD1-CG1 3.63Å; L80-V330 HydrophobicContact CD2-CG1 3.94Å; F111-V330 HydrophobicContact CE1-CG2 4.17Å; F111-V330 HydrophobicContact CZ-CG2 4.32Å; T326-V330 WeakPolarHBondContact O-CG2 3.34Å; T326-V330 PolarHBondContact O-N 2.6Å; Y327-V330 PolarHBondContact O-N 3.32Å; V330-V333 PolarHBondContact O-N 2.95Å; V330-S334 WeakPolarHBondContact O-CB 3.23Å; V330-S334 PolarHBondContact O-N 3.29Å
331	H	90.1	Very high	88.1	Confident	11 Å²	11	19 Å²	19	5%	0.051	10%	0.098	C	C	.	.	H	α-helix	trans	-62.9	-46.8	176.4	-82.5	-72.1	0	0	0	112.2	I68 Y327 D328 A329 V333 S334 V335 W371	I68-H331 WeakPolarHBondContact CG1-CE1 3.48Å; Y327-H331 AromaticContact CD1-CD2 3.58Å; Y327-H331 AromaticContact CD1-NE2 3.93Å; Y327-H331 AromaticContact CE1-CD2 3.24Å; Y327-H331 WeakPolarHBondContact CE1-CD2 3.45Å; Y327-H331 AromaticContact CE1-NE2 3.17Å; Y327-H331 WeakPolarHBondContact CE1-NE2 3.45Å; Y327-H331 AromaticContact CE2-NE2 3.89Å; Y327-H331 AromaticContact CZ-CD2 3.7Å; Y327-H331 AromaticContact CZ-NE2 3.13Å; Y327-H331 PolarHBondContact O-CD2 2.71Å; Y327-H331 VanDerWaalsContact O-CD2 3.27Å; Y327-H331 PolarHBondContact O-N 3.05Å; Y327-H331 PolarHBondContact OH-NE2 2.83Å; Y327-H331 VanDerWaalsContact OH-NE2 3.13Å; D328-H331 PolarHBondContact O-N 3.47Å; A329-H331 VanDerWaalsContact C-N 3.32Å; H331-V333 VanDerWaalsContact C-N 3.33Å; H331-V333 PolarHBondContact O-N 3.27Å; H331-S334 WeakPolarHBondContact CA-OG 3.48Å; H331-S334 PolarHBondContact O-N 2.78Å; H331-S334 VanDerWaalsContact O-N 3.11Å; H331-S334 PolarHBondContact O-OG 2.64Å; H331-V335 VanDerWaalsContact O-CG2 3.28Å; H331-V335 WeakPolarHBondContact O-CG2 3.08Å; H331-V335 PolarHBondContact O-N 2.67Å; H331-W371 HydrophobicContact CB-CD2 4.49Å; H331-W371 HydrophobicContact CB-CZ2 4.21Å; H331-W371 AromaticContact ND1-CZ2 3.82Å
332	I	90.5	Very high	87.6	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-57	-45.6	176.8	-81.9	163.8	0	0	0	111.9	L153 D328 A329 S334 V335 S336 I366 W371 L378 F380	L153-I332 HydrophobicContact CD2-CD1 3.92Å; L153-I332 HydrophobicContact CG-CD1 4.39Å; D328-I332 PolarHBondContact O-N 3.46Å; A329-I332 PolarHBondContact O-N 3.27Å; I332-S334 VanDerWaalsContact C-N 3.33Å; I332-S334 PolarHBondContact O-N 3.35Å; I332-V335 PolarHBondContact O-N 2.8Å; I332-S336 VanDerWaalsContact O-CB 3.3Å; I332-S336 WeakPolarHBondContact O-CB 3.33Å; I332-S336 PolarHBondContact O-N 2.77Å; I332-S336 PolarHBondContact O-OG 3.39Å; I332-I366 HydrophobicContact CG2-CG2 4.27Å; I332-W371 HydrophobicContact CG1-CB 4.02Å; I332-L378 HydrophobicContact CD1-CB 3.81Å; I332-L378 HydrophobicContact CD1-CD1 3.78Å; I332-L378 HydrophobicContact CD1-CD2 3.97Å; I332-L378 HydrophobicContact CD1-CG 4.06Å; I332-L378 HydrophobicContact CG1-CD1 4.45Å; I332-F380 HydrophobicContact CD1-CE2 3.9Å; I332-F380 HydrophobicContact CD1-CZ 3.89Å; I332-F380 HydrophobicContact CG2-CE2 4.19Å
333	V	89.7	Confident	87.2	Confident	4 Å²	4	27.1 Å²	27.1	2%	0.024	14%	0.135	C	C	.	.	H	α-helix	trans	-65	-39.9	178	173.4	0	0	0	0	110.8	A109 F111 I134 A329 V330 H331 S336 Y337 F362	A109-V333 HydrophobicContact CB-CG1 4.23Å; F111-V333 HydrophobicContact CE1-CG2 4.16Å; F111-V333 HydrophobicContact CE2-CG2 4.46Å; F111-V333 HydrophobicContact CZ-CB 4.02Å; F111-V333 HydrophobicContact CZ-CG1 4.4Å; F111-V333 HydrophobicContact CZ-CG2 3.62Å; I134-V333 HydrophobicContact CD1-CG2 4.2Å; I134-V333 HydrophobicContact CG1-CG2 3.97Å; A329-V333 WeakPolarHBondContact O-CG2 3.31Å; A329-V333 PolarHBondContact O-N 2.96Å; A329-V333 VanDerWaalsContact O-N 3.13Å; V330-V333 PolarHBondContact O-N 2.95Å; H331-V333 VanDerWaalsContact C-N 3.33Å; H331-V333 PolarHBondContact O-N 3.27Å; V333-S336 PolarHBondContact O-N 3.07Å; V333-Y337 WeakPolarHBondContact O-CB 3.11Å; V333-Y337 PolarHBondContact O-N 3.27Å; V333-F362 HydrophobicContact CG1-CZ 4.3Å
334	S	87.6	Confident	86.7	Confident	4 Å²	4	31 Å²	31	3%	0.028	16%	0.159	C	C	.	.	H	α-helix	trans	-65.2	-41.6	177.2	76.2	0	0	0	0	112.9	V330 H331 I332 Y337 Q338	V330-S334 WeakPolarHBondContact O-CB 3.23Å; V330-S334 PolarHBondContact O-N 3.29Å; H331-S334 WeakPolarHBondContact CA-OG 3.48Å; H331-S334 PolarHBondContact O-N 2.78Å; H331-S334 VanDerWaalsContact O-N 3.11Å; H331-S334 PolarHBondContact O-OG 2.64Å; I332-S334 VanDerWaalsContact C-N 3.33Å; I332-S334 PolarHBondContact O-N 3.35Å; S334-Y337 PolarHBondContact O-N 3.35Å; S334-Q338 PolarHBondContact O-N 3.12Å
335	V	88.8	Confident	85.9	Confident	8 Å²	8	33.4 Å²	33.4	5%	0.048	17%	0.174	C	C	.	.	H	α-helix	trans	-66.4	-42.6	176.2	172.4	0	0	0	0	110.1	L74 H331 I332 Y337 Q338 H339 W371	L74-V335 HydrophobicContact CD2-CG2 3.98Å; H331-V335 VanDerWaalsContact O-CG2 3.28Å; H331-V335 WeakPolarHBondContact O-CG2 3.08Å; H331-V335 PolarHBondContact O-N 2.67Å; I332-V335 PolarHBondContact O-N 2.8Å; V335-Y337 VanDerWaalsContact C-N 3.29Å; V335-Y337 PolarHBondContact O-N 3.28Å; V335-Q338 WeakPolarHBondContact O-CB 3.4Å; V335-Q338 PolarHBondContact O-N 3.25Å; V335-H339 PolarHBondContact O-N 2.87Å; V335-H339 VanDerWaalsContact O-N 3.11Å; V335-H339 PolarHBondContact O-ND1 3.45Å; V335-W371 HydrophobicContact CG2-CD2 4.19Å; V335-W371 HydrophobicContact CG2-CE3 3.6Å; V335-W371 HydrophobicContact CG2-CZ3 3.87Å
336	S	88.5	Confident	85.3	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.007	19%	0.194	C	C	.	.	H	α-helix	trans	-62.2	-38.5	176.1	-57.5	0	0	0	0	111.6	I332 V333 H339 A340 I366 S369	I332-S336 VanDerWaalsContact O-CB 3.3Å; I332-S336 WeakPolarHBondContact O-CB 3.33Å; I332-S336 PolarHBondContact O-N 2.77Å; I332-S336 PolarHBondContact O-OG 3.39Å; V333-S336 PolarHBondContact O-N 3.07Å; S336-H339 PolarHBondContact O-N 3.26Å; S336-A340 PolarHBondContact O-N 3.26Å; S336-A340 VanDerWaalsContact O-N 3.15Å; S336-I366 WeakPolarHBondContact OG-CA 3.34Å; S336-S369 WeakPolarHBondContact OG-CB 3.27Å
337	Y	86.9	Confident	85	Confident	26 Å²	26	40.6 Å²	40.6	10%	0.102	22%	0.218	C	C	.	.	H	α-helix	trans	-69.5	-35.8	175.5	-168.3	-92.7	0	0	0	112.6	C38 L75 T78 V333 S334 V335 H339 A340 F362	C38-Y337 HydrophobicContact CB-CE1 4.28Å; C38-Y337 HydrophobicContact CB-CE2 4.49Å; L75-Y337 HydrophobicContact CD2-CD1 4.14Å; T78-Y337 HydrophobicContact CG2-CD1 4.5Å; T78-Y337 HydrophobicContact CG2-CE1 3.78Å; V333-Y337 WeakPolarHBondContact O-CB 3.11Å; V333-Y337 PolarHBondContact O-N 3.27Å; S334-Y337 PolarHBondContact O-N 3.35Å; V335-Y337 VanDerWaalsContact C-N 3.29Å; V335-Y337 PolarHBondContact O-N 3.28Å; Y337-H339 VanDerWaalsContact C-N 3.33Å; Y337-H339 PolarHBondContact O-N 3.19Å; Y337-A340 WeakPolarHBondContact O-CB 2.98Å; Y337-A340 PolarHBondContact O-N 2.95Å; Y337-F362 HydrophobicContact CD2-CE2 4.21Å; Y337-F362 HydrophobicContact CD2-CZ 4.35Å
338	Q	85.8	Confident	84.7	Confident	96 Å²	96	40.9 Å²	40.9	45%	0.449	22%	0.22	S	C	.	.	H	α-helix	trans	-63.1	-38.5	174.3	-174	-175.4	6	0	0	112.4	L74 L75 S334 V335 A340	L74-Q338 VanDerWaalsContact O-CD 3.27Å; L74-Q338 PolarHBondContact O-NE2 3.41Å; L75-Q338 HydrophobicContact CD2-CB 4.25Å; S334-Q338 PolarHBondContact O-N 3.12Å; V335-Q338 WeakPolarHBondContact O-CB 3.4Å; V335-Q338 PolarHBondContact O-N 3.25Å; Q338-A340 VanDerWaalsContact C-N 3.31Å
339	H	84.9	Confident	84.4	Confident	127 Å²	127	45.4 Å²	45.4	59%	0.588	24%	0.241	S	C	*	.	H	α-helix	trans	-78.8	-16.2	177.9	-69.4	89.8	0	0	0	113.2	V335 S336 Y337	V335-H339 PolarHBondContact O-N 2.87Å; V335-H339 VanDerWaalsContact O-N 3.11Å; V335-H339 PolarHBondContact O-ND1 3.45Å; S336-H339 PolarHBondContact O-N 3.26Å; Y337-H339 VanDerWaalsContact C-N 3.33Å; Y337-H339 PolarHBondContact O-N 3.19Å
340	A	82.2	Confident	84.1	Confident	16 Å²	16	46.7 Å²	46.7	13%	0.132	25%	0.25	C	C	.	.	S	Bend	trans	-76.7	135.4	178.2	0	0	0	0	0	111.3	S336 Y337 Q338 M343 F362 F365	S336-A340 PolarHBondContact O-N 3.26Å; S336-A340 VanDerWaalsContact O-N 3.15Å; Y337-A340 WeakPolarHBondContact O-CB 2.98Å; Y337-A340 PolarHBondContact O-N 2.95Å; Q338-A340 VanDerWaalsContact C-N 3.31Å; A340-M343 HydrophobicContact CB-CE 3.64Å; A340-M343 HydrophobicContact CB-CG 4.49Å; A340-M343 HydrophobicContact CB-SD 4.08Å; A340-F362 HydrophobicContact CB-CD2 4.42Å; A340-F365 HydrophobicContact CB-CD2 4.24Å; A340-F365 HydrophobicContact CB-CE2 4.29Å
341	P	76.1	Confident	83.8	Confident	63 Å²	63	54.9 Å²	54.9	41%	0.409	29%	0.288	S	S	.	.			trans	-65.1	158.8	167.6	29.9	-34.3	0	0	0	109.9	M343	P341-M343 WeakPolarHBondContact O-CG 3.37Å; P341-M343 PolarHBondContact O-N 3.13Å
342	Q	75.8	Confident	83.2	Confident	180 Å²	180	62.5 Å²	62.5	84%	0.841	32%	0.316	S	S	*	.			trans	-46.9	110.7	-177	-171.9	174.5	-8.6	0	0	112.3
343	M	78.4	Confident	82.6	Confident	14 Å²	14	70.2 Å²	70.2	7%	0.069	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-101.7	146.6	-179.7	-63.1	-175	168.6	0	0	110.4	A340 P341 W356 F358 R361 F362 F365	A340-M343 HydrophobicContact CB-CE 3.64Å; A340-M343 HydrophobicContact CB-CG 4.49Å; A340-M343 HydrophobicContact CB-SD 4.08Å; P341-M343 WeakPolarHBondContact O-CG 3.37Å; P341-M343 PolarHBondContact O-N 3.13Å; M343-W356 HydrophobicContact CB-CZ2 4.49Å; M343-W356 HydrophobicContact SD-CH2 4.22Å; M343-W356 HydrophobicContact SD-CZ2 4.29Å; M343-F358 HydrophobicContact CB-CD2 4.47Å; M343-F358 HydrophobicContact CG-CB 4.4Å; M343-F358 HydrophobicContact CG-CG 4.48Å; M343-F358 HydrophobicContact SD-CB 4.13Å; M343-R361 HydrophobicContact CE-CG 4.48Å; M343-F362 HydrophobicContact CE-CB 4.08Å; M343-F362 HydrophobicContact CE-CD2 4.19Å; M343-F362 HydrophobicContact SD-CB 4.03Å; M343-F362 HydrophobicContact SD-CD2 3.95Å; M343-F362 HydrophobicContact SD-CG 4.2Å; M343-F365 HydrophobicContact CE-CD2 4.13Å; M343-F365 HydrophobicContact CE-CE2 4.07Å
344	T	77.3	Confident	82.3	Confident	81 Å²	81	77.2 Å²	77.2	50%	0.497	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-94.3	121.2	170.6	63.9	0	0	0	0	110	W356	T344-W356 PolarHBondContact O-NE1 2.97Å
345	V	74.6	Confident	82.2	Confident	52 Å²	52	80.1 Å²	80.1	32%	0.315	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-85.4	123.4	173.5	-170.9	0	0	0	0	107.9	G106 V108	G106-V345 WeakPolarHBondContact O-CG1 3.38Å; V108-V345 HydrophobicContact CG1-CG1 4.2Å; V108-V345 HydrophobicContact CG1-CG2 3.55Å
346	N	78.6	Confident	82.1	Confident	80 Å²	80	80.1 Å²	80.1	43%	0.428	40%	0.4	S	S	.	.			trans	-110.9	143.5	-178.3	-66.4	-14.8	0	0	0	109.9	L348	N346-L348 HydrophobicContact CB-CD2 4.5Å; N346-L348 PolarHBondContact O-N 3.43Å
347	S	84.2	Confident	82	Confident	75 Å²	75	90.1 Å²	90.1	52%	0.524	44%	0.437	S	S	.	.			trans	-66.3	125.1	164.9	172.1	0	0	0	0	109.6	S104	S104-S347 VanDerWaalsContact O-CB 3.3Å; S104-S347 WeakPolarHBondContact O-CB 3.41Å; S104-S347 PolarHBondContact O-OG 3.31Å
348	L	84.3	Confident	82	Confident	16 Å²	16	91.3 Å²	91.3	8%	0.084	44%	0.443	C	S	.	.			trans	-110.2	152.1	178.5	-56.2	176.4	0	0	0	109.9	L103 S104 L129 V131 N346 W356	L103-L348 CarbonylContact C-O 3.51Å; L103-L348 VanDerWaalsContact C-O 3.3Å; L103-L348 HydrophobicContact CB-CB 4.41Å; L103-L348 HydrophobicContact CD2-CD1 4.33Å; L103-L348 PolarHBondContact O-N 2.86Å; S104-L348 VanDerWaalsContact CA-O 3.28Å; S104-L348 WeakPolarHBondContact CA-O 3.45Å; S104-L348 PolarHBondContact N-O 2.59Å; L129-L348 HydrophobicContact CB-CD1 4.45Å; V131-L348 HydrophobicContact CG2-CD1 3.76Å; N346-L348 HydrophobicContact CB-CD2 4.5Å; N346-L348 PolarHBondContact O-N 3.43Å; L348-W356 HydrophobicContact CD1-CB 4.03Å
349	Q	85.6	Confident	82	Confident	94 Å²	94	86.8 Å²	86.8	44%	0.439	42%	0.422	S	S	.	.			trans	-120.9	118	179.3	-66.9	-69.1	-41.7	0	0	108.1	H351 R352	Q349-H351 PolarHBondContact O-N 2.96Å; Q349-H351 VanDerWaalsContact O-N 3.15Å; Q349-R352 HydrophobicContact CB-CB 4.27Å; Q349-R352 HydrophobicContact CB-CG 4.4Å; Q349-R352 CarbonylContact O-C 3.56Å; Q349-R352 WeakPolarHBondContact O-CA 3.44Å; Q349-R352 PolarHBondContact O-N 3.18Å
350	C	85.9	Confident	82.2	Confident	28 Å²	28	82.1 Å²	82.1	19%	0.189	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-34.7	-176.7	-75.4	0	0	0	0	114.5	C100 R352	C100-C350 WeakPolarHBondContact CA-SG 3.46Å; C100-C350 HydrophobicContact CB-CB 3.84Å; C100-C350 WeakPolarHBondContact CB-SG 3.49Å; C100-C350 WeakPolarHBondContact SG-CB 3.46Å; C100-C350 CovalentContact SG-SG 2.03Å; C100-C350 PolarHBondContact SG-SG 2.47Å; C350-R352 PolarHBondContact O-N 2.88Å
351	H	84.6	Confident	82.5	Confident	175 Å²	175	88 Å²	88	81%	0.81	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-13.7	177.9	-59.1	94.7	0	0	0	113.1	Q349	Q349-H351 PolarHBondContact O-N 2.96Å; Q349-H351 VanDerWaalsContact O-N 3.15Å
352	R	77.8	Confident	83.1	Confident	170 Å²	170	85 Å²	85	64%	0.642	41%	0.407	S	S	*	.	S	Bend	trans	-112	123	178.4	-67.4	-175.5	170.7	177.9	-2.2	108.9	Q349 C350 K354	Q349-R352 HydrophobicContact CB-CB 4.27Å; Q349-R352 HydrophobicContact CB-CG 4.4Å; Q349-R352 CarbonylContact O-C 3.56Å; Q349-R352 WeakPolarHBondContact O-CA 3.44Å; Q349-R352 PolarHBondContact O-N 3.18Å; C350-R352 PolarHBondContact O-N 2.88Å; R352-K354 PolarHBondContact O-N 3.05Å
353	H	77.1	Confident	83.8	Confident	165 Å²	165	76.7 Å²	76.7	76%	0.764	37%	0.369	S	S	*	.			trans	-75.3	48.5	179.4	-56.1	-70.2	0	0	0	113.4	P355	H353-P355 WeakPolarHBondContact O-CD 3.21Å
354	K	82.9	Confident	84.4	Confident	151 Å²	151	79 Å²	79	66%	0.657	39%	0.387	S	S	*	.			trans	-98.7	105.4	174.6	-72.4	-169	178.7	-173.6	0	109.1	R352	R352-K354 PolarHBondContact O-N 3.05Å
355	P	85.5	Confident	85	Confident	64 Å²	64	77.4 Å²	77.4	42%	0.416	37%	0.372	S	S	.	.			trans	-72.8	159.3	179	29.7	-34.7	0	0	0	112.1	L129 E130 H353 R357	L129-P355 WeakPolarHBondContact O-CA 3.24Å; E130-P355 HydrophobicContact CB-CB 4.01Å; E130-P355 HydrophobicContact CG-CB 3.56Å; H353-P355 WeakPolarHBondContact O-CD 3.21Å; P355-R357 PolarHBondContact O-N 2.8Å
356	W	87.9	Confident	85.8	Confident	9 Å²	9	74.9 Å²	74.9	3%	0.034	36%	0.357	C	S	.	.			trans	-74.4	115.1	173.7	-178.4	39.1	0	0	0	111.2	L129 M343 T344 L348 F358 G359 F362	L129-W356 PolarHBondContact O-N 2.96Å; M343-W356 HydrophobicContact CB-CZ2 4.49Å; M343-W356 HydrophobicContact SD-CH2 4.22Å; M343-W356 HydrophobicContact SD-CZ2 4.29Å; T344-W356 PolarHBondContact O-NE1 2.97Å; L348-W356 HydrophobicContact CD1-CB 4.03Å; W356-F358 HydrophobicContact CZ2-CB 3.89Å; W356-F358 PolarHBondContact O-N 2.85Å; W356-G359 PolarHBondContact O-N 2.88Å; W356-F362 HydrophobicContact CH2-CB 3.92Å; W356-F362 AromaticContact CH2-CD1 3.88Å; W356-F362 HydrophobicContact CH2-CD1 3.88Å; W356-F362 HydrophobicContact CH2-CG 4.02Å; W356-F362 HydrophobicContact CZ3-CB 3.95Å; W356-F362 AromaticContact CZ3-CD1 3.83Å; W356-F362 HydrophobicContact CZ3-CD1 3.83Å; W356-F362 HydrophobicContact CZ3-CG 4.22Å
357	R	85.8	Confident	86.3	Confident	210 Å²	210	72.2 Å²	72.2	79%	0.792	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-33.3	-176.5	-175.4	179.1	-179.6	-174.9	0.8	115.2	P355	P355-R357 PolarHBondContact O-N 2.8Å
358	F	86.7	Confident	86.5	Confident	52 Å²	52	73.3 Å²	73.3	23%	0.228	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-0.1	-178.8	-62.2	-67.4	0	0	0	113.6	M343 W356 G360 R361 F362	M343-F358 HydrophobicContact CB-CD2 4.47Å; M343-F358 HydrophobicContact CG-CB 4.4Å; M343-F358 HydrophobicContact CG-CG 4.48Å; M343-F358 HydrophobicContact SD-CB 4.13Å; W356-F358 HydrophobicContact CZ2-CB 3.89Å; W356-F358 PolarHBondContact O-N 2.85Å; F358-G360 PolarHBondContact O-N 2.61Å; F358-R361 PolarHBondContact O-N 2.9Å; F358-F362 PolarHBondContact O-N 3.31Å
359	G	85.9	Confident	86.7	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-55.9	-52.5	-176.3	0	0	0	0	0	113.9	E130 W356 R361 F362 M363	E130-G359 WeakPolarHBondContact O-CA 3.26Å; W356-G359 PolarHBondContact O-N 2.88Å; G359-R361 VanDerWaalsContact C-N 3.3Å; G359-R361 PolarHBondContact O-N 2.97Å; G359-F362 PolarHBondContact O-N 3.32Å; G359-M363 WeakPolarHBondContact O-CB 3.15Å; G359-M363 PolarHBondContact O-N 3.32Å
360	G	88.2	Confident	86.7	Confident	29 Å²	29	75.4 Å²	75.4	30%	0.299	35%	0.349	S	S	.	.	H	α-helix	trans	-57.7	-41.6	177.7	0	0	0	0	0	113	F358 M363 S364	F358-G360 PolarHBondContact O-N 2.61Å; G360-M363 PolarHBondContact O-N 2.73Å; G360-S364 PolarHBondContact O-N 2.9Å; G360-S364 VanDerWaalsContact O-N 3.07Å; G360-S364 PolarHBondContact O-OG 2.85Å
361	R	88.8	Confident	86.8	Confident	139 Å²	139	77.5 Å²	77.5	53%	0.525	35%	0.353	S	S	.	.	H	α-helix	trans	-68.5	-41.3	179.2	-169.4	178.3	-176.7	175.5	2.1	111.7	M343 F358 G359 S364 F365	M343-R361 HydrophobicContact CE-CG 4.48Å; F358-R361 PolarHBondContact O-N 2.9Å; G359-R361 VanDerWaalsContact C-N 3.3Å; G359-R361 PolarHBondContact O-N 2.97Å; R361-S364 PolarHBondContact O-N 3.48Å; R361-F365 HydrophobicContact CG-CD2 4.23Å; R361-F365 HydrophobicContact CG-CE2 3.76Å; R361-F365 WeakPolarHBondContact O-CD2 3.45Å; R361-F365 PolarHBondContact O-N 2.94Å; R361-F365 VanDerWaalsContact O-N 3.13Å
362	F	89.9	Confident	87	Confident	0 Å²	0	75 Å²	75	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-68.4	-38	178.1	-169.1	-123.5	0	0	0	112	V108 P132 V333 Y337 A340 M343 W356 F358 G359 S364 F365 I366	V108-F362 HydrophobicContact CB-CE1 4.5Å; P132-F362 HydrophobicContact CG-CD1 3.71Å; P132-F362 HydrophobicContact CG-CE1 4.22Å; V333-F362 HydrophobicContact CG1-CZ 4.3Å; Y337-F362 HydrophobicContact CD2-CE2 4.21Å; Y337-F362 HydrophobicContact CD2-CZ 4.35Å; A340-F362 HydrophobicContact CB-CD2 4.42Å; M343-F362 HydrophobicContact CE-CB 4.08Å; M343-F362 HydrophobicContact CE-CD2 4.19Å; M343-F362 HydrophobicContact SD-CB 4.03Å; M343-F362 HydrophobicContact SD-CD2 3.95Å; M343-F362 HydrophobicContact SD-CG 4.2Å; W356-F362 HydrophobicContact CH2-CB 3.92Å; W356-F362 AromaticContact CH2-CD1 3.88Å; W356-F362 HydrophobicContact CH2-CD1 3.88Å; W356-F362 HydrophobicContact CH2-CG 4.02Å; W356-F362 HydrophobicContact CZ3-CB 3.95Å; W356-F362 AromaticContact CZ3-CD1 3.83Å; W356-F362 HydrophobicContact CZ3-CD1 3.83Å; W356-F362 HydrophobicContact CZ3-CG 4.22Å; F358-F362 PolarHBondContact O-N 3.31Å; G359-F362 PolarHBondContact O-N 3.32Å; F362-S364 PolarHBondContact O-N 2.99Å; F362-F365 WeakPolarHBondContact O-CB 3.49Å; F362-F365 PolarHBondContact O-N 3.49Å; F362-I366 HydrophobicContact CD1-CD1 4.02Å; F362-I366 HydrophobicContact CE1-CD1 3.85Å; F362-I366 HydrophobicContact CZ-CD1 4.33Å; F362-I366 WeakPolarHBondContact O-CG1 3.32Å; F362-I366 PolarHBondContact O-N 3.03Å
363	M	90.9	Very high	87.4	Confident	7 Å²	7	67.4 Å²	67.4	3%	0.034	32%	0.32	C	S	.	.	H	α-helix	trans	-60.9	-42.2	171.9	179.3	54.5	58.8	0	0	112.3	P132 F149 G359 G360 F365 I366 K367	P132-M363 HydrophobicContact CB-CE 3.39Å; P132-M363 HydrophobicContact CG-CE 3.85Å; F149-M363 VanDerWaalsContact C-CE 3.5Å; F149-M363 HydrophobicContact CB-CE 4.21Å; F149-M363 HydrophobicContact CD1-CB 3.95Å; F149-M363 HydrophobicContact CD1-CE 4.21Å; F149-M363 HydrophobicContact CD1-CG 4.09Å; F149-M363 HydrophobicContact CE1-CB 4.08Å; G359-M363 WeakPolarHBondContact O-CB 3.15Å; G359-M363 PolarHBondContact O-N 3.32Å; G360-M363 PolarHBondContact O-N 2.73Å; M363-F365 VanDerWaalsContact C-N 3.33Å; M363-F365 PolarHBondContact O-N 3.49Å; M363-I366 PolarHBondContact O-N 2.93Å; M363-K367 PolarHBondContact O-N 3.45Å; M363-K367 HydrophobicContact SD-CD 4.37Å; M363-K367 VanDerWaalsContact SD-CE 3.59Å; M363-K367 HydrophobicContact SD-CG 4.21Å
364	S	89.5	Confident	88	Confident	63 Å²	63	59.7 Å²	59.7	44%	0.441	29%	0.285	S	S	.	.	H	α-helix	trans	-60.7	-41.9	173.8	-62.7	0	0	0	0	112	G360 R361 F362 I366 K367 E368	G360-S364 PolarHBondContact O-N 2.9Å; G360-S364 VanDerWaalsContact O-N 3.07Å; G360-S364 PolarHBondContact O-OG 2.85Å; R361-S364 PolarHBondContact O-N 3.48Å; F362-S364 PolarHBondContact O-N 2.99Å; S364-I366 VanDerWaalsContact C-N 3.32Å; S364-I366 PolarHBondContact O-N 3.1Å; S364-K367 PolarHBondContact O-N 2.86Å; S364-E368 WeakPolarHBondContact O-CB 3.11Å; S364-E368 VanDerWaalsContact O-CG 3.32Å; S364-E368 WeakPolarHBondContact O-CG 3.17Å; S364-E368 PolarHBondContact O-N 2.89Å
365	F	90.3	Very high	88.2	Confident	46 Å²	46	52.6 Å²	52.6	20%	0.202	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-39.6	174.7	-74.8	-57.4	0	0	0	112.5	A340 M343 R361 F362 M363 E368 S369	A340-F365 HydrophobicContact CB-CD2 4.24Å; A340-F365 HydrophobicContact CB-CE2 4.29Å; M343-F365 HydrophobicContact CE-CD2 4.13Å; M343-F365 HydrophobicContact CE-CE2 4.07Å; R361-F365 HydrophobicContact CG-CD2 4.23Å; R361-F365 HydrophobicContact CG-CE2 3.76Å; R361-F365 WeakPolarHBondContact O-CD2 3.45Å; R361-F365 PolarHBondContact O-N 2.94Å; R361-F365 VanDerWaalsContact O-N 3.13Å; F362-F365 WeakPolarHBondContact O-CB 3.49Å; F362-F365 PolarHBondContact O-N 3.49Å; M363-F365 VanDerWaalsContact C-N 3.33Å; M363-F365 PolarHBondContact O-N 3.49Å; F365-E368 PolarHBondContact O-N 3.11Å; F365-S369 WeakPolarHBondContact O-CB 3.47Å; F365-S369 PolarHBondContact O-N 3.19Å
366	I	90.6	Very high	88.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-48	175.5	-67.4	164.5	0	0	0	110.6	P132 I134 A151 I332 S336 F362 M363 S364 E368 S369	P132-I366 HydrophobicContact CB-CD1 3.71Å; P132-I366 HydrophobicContact CG-CD1 3.81Å; I134-I366 HydrophobicContact CD1-CD1 4.36Å; I134-I366 HydrophobicContact CD1-CG2 4.19Å; A151-I366 HydrophobicContact CB-CG2 3.97Å; I332-I366 HydrophobicContact CG2-CG2 4.27Å; S336-I366 WeakPolarHBondContact OG-CA 3.34Å; F362-I366 HydrophobicContact CD1-CD1 4.02Å; F362-I366 HydrophobicContact CE1-CD1 3.85Å; F362-I366 HydrophobicContact CZ-CD1 4.33Å; F362-I366 WeakPolarHBondContact O-CG1 3.32Å; F362-I366 PolarHBondContact O-N 3.03Å; M363-I366 PolarHBondContact O-N 2.93Å; S364-I366 VanDerWaalsContact C-N 3.32Å; S364-I366 PolarHBondContact O-N 3.1Å; I366-E368 VanDerWaalsContact C-N 3.3Å; I366-E368 PolarHBondContact O-N 3.38Å; I366-S369 PolarHBondContact O-N 3.48Å; I366-S369 PolarHBondContact O-OG 3.36Å
367	K	89.9	Confident	88.3	Confident	23 Å²	23	56.4 Å²	56.4	10%	0.1	27%	0.266	C	S	.	.	H	α-helix	trans	-69.2	-24.4	-179.8	-66.9	-174.9	-176.1	-177.9	0	113.8	T148 Y150 M363 S364	T148-K367 PolarHBondContact O-NZ 3.04Å; Y150-K367 WeakPolarHBondContact O-CE 3.46Å; M363-K367 PolarHBondContact O-N 3.45Å; M363-K367 HydrophobicContact SD-CD 4.37Å; M363-K367 VanDerWaalsContact SD-CE 3.59Å; M363-K367 HydrophobicContact SD-CG 4.21Å; S364-K367 PolarHBondContact O-N 2.86Å
368	E	89.3	Confident	88.4	Confident	99 Å²	99	46.5 Å²	46.5	46%	0.463	23%	0.229	S	C	.	.	H	α-helix	trans	-94	-10.7	177.3	-69.4	-179.5	168.3	0	0	113.7	S364 F365 I366 H370	S364-E368 WeakPolarHBondContact O-CB 3.11Å; S364-E368 VanDerWaalsContact O-CG 3.32Å; S364-E368 WeakPolarHBondContact O-CG 3.17Å; S364-E368 PolarHBondContact O-N 2.89Å; F365-E368 PolarHBondContact O-N 3.11Å; I366-E368 VanDerWaalsContact C-N 3.3Å; I366-E368 PolarHBondContact O-N 3.38Å; E368-H370 PolarHBondContact O-CE1 3.48Å; E368-H370 PolarHBondContact O-ND1 3.15Å
369	S	86.8	Confident	88.4	Confident	11 Å²	11	45.1 Å²	45.1	8%	0.077	23%	0.226	C	C	.	.			trans	-65.8	143.2	179	70.3	0	0	0	0	111.2	S336 F365 I366	S336-S369 WeakPolarHBondContact OG-CB 3.27Å; F365-S369 WeakPolarHBondContact O-CB 3.47Å; F365-S369 PolarHBondContact O-N 3.19Å; I366-S369 PolarHBondContact O-N 3.48Å; I366-S369 PolarHBondContact O-OG 3.36Å
370	H	87.3	Confident	88.5	Confident	142 Å²	142	46 Å²	46	66%	0.657	23%	0.229	S	C	*	.			trans	-123	129.5	174.2	-62	73.1	0	0	0	107.6	E368	E368-H370 PolarHBondContact O-CE1 3.48Å; E368-H370 PolarHBondContact O-ND1 3.15Å
371	W	87.6	Confident	88.4	Confident	72 Å²	72	47.3 Å²	47.3	27%	0.273	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	137.4	179.1	-179.7	-109.9	0	0	0	110.8	L74 H331 I332 V335 L378	L74-W371 HydrophobicContact CD2-CH2 4.48Å; L74-W371 HydrophobicContact CD2-CZ3 4.41Å; H331-W371 HydrophobicContact CB-CD2 4.49Å; H331-W371 HydrophobicContact CB-CZ2 4.21Å; H331-W371 AromaticContact ND1-CZ2 3.82Å; I332-W371 HydrophobicContact CG1-CB 4.02Å; V335-W371 HydrophobicContact CG2-CD2 4.19Å; V335-W371 HydrophobicContact CG2-CE3 3.6Å; V335-W371 HydrophobicContact CG2-CZ3 3.87Å; W371-L378 HydrophobicContact CB-CD1 4.46Å; W371-L378 WeakPolarHBondContact O-CB 3.36Å; W371-L378 PolarHBondContact O-N 2.8Å
372	D	88.1	Confident	88	Confident	122 Å²	122	47.6 Å²	47.6	65%	0.652	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	93.9	171.4	-73.7	-31.9	0	0	0	108.8	R377	D372-R377 WeakPolarHBondContact OD1-CG 3.39Å
373	G	87.2	Confident	87.6	Confident	11 Å²	11	53 Å²	53	11%	0.113	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-165.9	-175.7	0	0	0	0	0	114.2	D328 T375 G376	D328-G373 VanDerWaalsContact OD1-CA 3.26Å; D328-G373 WeakPolarHBondContact OD1-CA 3.41Å; G373-T375 VanDerWaalsContact C-N 3.25Å; G373-T375 PolarHBondContact O-N 3.39Å; G373-G376 PolarHBondContact N-O 2.87Å; G373-G376 PolarHBondContact O-N 3.12Å
374	L	88.9	Confident	87.1	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.016	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-34.8	174.6	-57.2	-179	0	0	0	111.6	L286 N287 V293 I296 M319 A324 Y327 D328 G376	L286-L374 HydrophobicContact CD2-CB 3.84Å; N287-L374 PolarHBondContact N-O 3.02Å; V293-L374 HydrophobicContact CB-CD2 4.33Å; V293-L374 HydrophobicContact CG1-CB 4.43Å; V293-L374 HydrophobicContact CG1-CD2 3.97Å; V293-L374 HydrophobicContact CG2-CD2 4.19Å; I296-L374 HydrophobicContact CB-CD2 4.15Å; I296-L374 HydrophobicContact CD1-CD2 3.8Å; I296-L374 HydrophobicContact CG2-CD1 4.4Å; I296-L374 HydrophobicContact CG2-CD2 4.04Å; M319-L374 HydrophobicContact CE-CD1 4.35Å; M319-L374 HydrophobicContact SD-CD1 3.56Å; M319-L374 VanDerWaalsContact SD-CD1 3.56Å; A324-L374 HydrophobicContact CB-CB 4.42Å; A324-L374 HydrophobicContact CB-CD1 4.33Å; Y327-L374 HydrophobicContact CD1-CD1 3.35Å; Y327-L374 HydrophobicContact CD1-CD2 4.37Å; Y327-L374 HydrophobicContact CD1-CG 3.65Å; Y327-L374 HydrophobicContact CE1-CD1 3.93Å; Y327-L374 HydrophobicContact CE1-CD2 4.19Å; Y327-L374 HydrophobicContact CE1-CG 3.95Å; Y327-L374 HydrophobicContact CG-CD1 3.74Å; D328-L374 PolarHBondContact OD1-N 2.84Å; D328-L374 PolarHBondContact OD2-N 2.74Å; L374-G376 PolarHBondContact O-N 3.35Å
375	T	88.3	Confident	86.8	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.018	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	16.6	177.7	63.2	0	0	0	0	113.4	I285 A324 L325 D328 G373 R387	I285-T375 HydrophobicContact CG1-CG2 4.49Å; I285-T375 HydrophobicContact CG2-CG2 4.1Å; A324-T375 HydrophobicContact CB-CG2 4.16Å; L325-T375 HydrophobicContact CD2-CG2 3.81Å; L325-T375 HydrophobicContact CG-CG2 4.33Å; D328-T375 WeakPolarHBondContact OD2-CB 3.2Å; D328-T375 WeakPolarHBondContact OD2-CG2 3.01Å; D328-T375 PolarHBondContact OD2-N 3.19Å; D328-T375 PolarHBondContact OD2-OG1 3.48Å; G373-T375 VanDerWaalsContact C-N 3.25Å; G373-T375 PolarHBondContact O-N 3.39Å; T375-R387 PolarHBondContact O-NH2 3.39Å; T375-R387 PolarHBondContact OG1-NH1 3.43Å; T375-R387 PolarHBondContact OG1-NH2 3.22Å
376	G	86.6	Confident	86.7	Confident	19 Å²	19	51.4 Å²	51.4	20%	0.196	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	82.8	-147.5	-179	0	0	0	0	0	113.2	G373 L374 L378	G373-G376 PolarHBondContact N-O 2.87Å; G373-G376 PolarHBondContact O-N 3.12Å; L374-G376 PolarHBondContact O-N 3.35Å; G376-L378 PolarHBondContact O-N 3.21Å
377	R	87.8	Confident	86.6	Confident	133 Å²	133	51.5 Å²	51.5	50%	0.502	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	125.3	-178.5	-73.1	177.2	-64.1	-172.8	4.8	110.4	D372 R387 D391	D372-R377 WeakPolarHBondContact OD1-CG 3.39Å; R377-R387 PolarHBondContact O-NH2 3.48Å; R377-D391 IonicContact CZ-OD2 3.54Å; R377-D391 IonicContact NE-OD2 3.5Å; R377-D391 IonicContact NH2-OD1 3.37Å; R377-D391 PolarHBondContact NH2-OD1 3.01Å; R377-D391 IonicContact NH2-OD2 2.79Å; R377-D391 PolarHBondContact NH2-OD2 3.47Å
378	L	87.6	Confident	86.3	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	114.9	174.3	-68.1	142.8	0	0	0	109.3	L153 D328 I332 W371 G376 R387	L153-L378 HydrophobicContact CD2-CD2 4.28Å; D328-L378 HydrophobicContact CB-CD1 3.78Å; I332-L378 HydrophobicContact CD1-CB 3.81Å; I332-L378 HydrophobicContact CD1-CD1 3.78Å; I332-L378 HydrophobicContact CD1-CD2 3.97Å; I332-L378 HydrophobicContact CD1-CG 4.06Å; I332-L378 HydrophobicContact CG1-CD1 4.45Å; W371-L378 HydrophobicContact CB-CD1 4.46Å; W371-L378 WeakPolarHBondContact O-CB 3.36Å; W371-L378 PolarHBondContact O-N 2.8Å; G376-L378 PolarHBondContact O-N 3.21Å; L378-R387 VanDerWaalsContact CD2-NH1 3.3Å
379	S	86.1	Confident	86.2	Confident	23 Å²	23	50.8 Å²	50.8	16%	0.161	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-137.4	141.1	172.3	65.7	0	0	0	0	109.5
380	F	88.2	Confident	86.3	Confident	17 Å²	17	50.4 Å²	50.4	8%	0.075	26%	0.258	C	S	.	.			trans	-108.5	145.6	178.8	-59	-79.1	0	0	0	110.4	A151 L153 I332 K382 R387	A151-F380 HydrophobicContact CB-CE1 4.24Å; A151-F380 HydrophobicContact CB-CZ 4.45Å; L153-F380 HydrophobicContact CD1-CE1 4.22Å; L153-F380 HydrophobicContact CD1-CZ 3.92Å; L153-F380 HydrophobicContact CG-CE1 4.21Å; L153-F380 HydrophobicContact CG-CZ 3.94Å; I332-F380 HydrophobicContact CD1-CE2 3.9Å; I332-F380 HydrophobicContact CD1-CZ 3.89Å; I332-F380 HydrophobicContact CG2-CE2 4.19Å; F380-K382 PolarHBondContact O-N 3.48Å; F380-R387 HydrophobicContact CD1-CB 4.44Å; F380-R387 HydrophobicContact CE1-CB 4.49Å
381	N	86.1	Confident	86.4	Confident	58 Å²	58	46.2 Å²	46.2	31%	0.31	24%	0.241	S	C	.	.			trans	-68.1	121.4	166.3	-177.1	-25	0	0	0	108.9	T383 T384 G385 L386	N381-T383 PolarHBondContact O-N 3.09Å; N381-T383 VanDerWaalsContact O-N 3.07Å; N381-T383 PolarHBondContact OD1-N 3.48Å; N381-T383 PolarHBondContact OD1-OG1 3.05Å; N381-T384 WeakPolarHBondContact CB-OG1 3.48Å; N381-T384 PolarHBondContact O-N 3.39Å; N381-G385 WeakPolarHBondContact O-CA 3.46Å; N381-G385 PolarHBondContact O-N 3.29Å; N381-L386 PolarHBondContact N-O 3.11Å
382	K	81.8	Confident	86.5	Confident	145 Å²	145	42.9 Å²	42.9	63%	0.63	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-31	-176.8	-61.6	-173.1	178.6	-167.7	0	113.4	F380	F380-K382 PolarHBondContact O-N 3.48Å
383	T	80.4	Confident	86.5	Confident	113 Å²	113	37.4 Å²	37.4	69%	0.693	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-45.1	-177.2	58.7	0	0	0	0	112.6	N381	N381-T383 PolarHBondContact O-N 3.09Å; N381-T383 VanDerWaalsContact O-N 3.07Å; N381-T383 PolarHBondContact OD1-N 3.48Å; N381-T383 PolarHBondContact OD1-OG1 3.05Å
384	T	80.9	Confident	86.6	Confident	53 Å²	53	37.1 Å²	37.1	33%	0.325	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-16	-172.2	60.1	0	0	0	0	114.3	Y150 N381 L386	Y150-T384 PolarHBondContact OH-O 3.42Å; N381-T384 WeakPolarHBondContact CB-OG1 3.48Å; N381-T384 PolarHBondContact O-N 3.39Å; T384-L386 PolarHBondContact O-N 2.86Å
385	G	84.1	Confident	86.4	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.			trans	67.5	14.9	-174.5	0	0	0	0	0	114.2	A151 N152 N381	A151-G385 WeakPolarHBondContact CA-O 3.29Å; N152-G385 PolarHBondContact N-O 3.4Å; N152-G385 VanDerWaalsContact N-O 3.09Å; N381-G385 WeakPolarHBondContact O-CA 3.46Å; N381-G385 PolarHBondContact O-N 3.29Å
386	L	86.8	Confident	86.2	Confident	30 Å²	30	37.5 Å²	37.5	16%	0.157	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	146.5	179.6	-61.5	175.6	0	0	0	111.3	Y150 N152 N381 T384 T388	Y150-L386 HydrophobicContact CE2-CD2 3.92Å; N152-L386 HydrophobicContact CB-CD2 3.88Å; N381-L386 PolarHBondContact N-O 3.11Å; T384-L386 PolarHBondContact O-N 2.86Å; L386-T388 PolarHBondContact O-N 3.01Å
387	R	89.3	Confident	85.9	Confident	1 Å²	1	37.2 Å²	37.2	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	97.1	173	-173.4	-175.3	-176.5	179.5	2.2	110.8	N152 L153 D156 T375 R377 L378 F380	N152-R387 PolarHBondContact O-N 2.95Å; L153-R387 VanDerWaalsContact O-CD 3.3Å; L153-R387 WeakPolarHBondContact O-CD 3.36Å; D156-R387 PolarHBondContact N-O 3.5Å; D156-R387 VanDerWaalsContact N-O 3.07Å; T375-R387 PolarHBondContact O-NH2 3.39Å; T375-R387 PolarHBondContact OG1-NH1 3.43Å; T375-R387 PolarHBondContact OG1-NH2 3.22Å; R377-R387 PolarHBondContact O-NH2 3.48Å; L378-R387 VanDerWaalsContact CD2-NH1 3.3Å; F380-R387 HydrophobicContact CD1-CB 4.44Å; F380-R387 HydrophobicContact CE1-CB 4.49Å
388	T	83.9	Confident	85.2	Confident	49 Å²	49	34.6 Å²	34.6	30%	0.301	18%	0.184	S	C	.	.			trans	-96.2	-26.1	179.7	54.3	0	0	0	0	113.7	D156 L386	D156-T388 HydrophobicContact CB-CG2 4.47Å; L386-T388 PolarHBondContact O-N 3.01Å
389	D	86.4	Confident	84.3	Confident	59 Å²	59	38.7 Å²	38.7	32%	0.316	20%	0.203	S	C	.	.	B	Isolated β-bridge	trans	-105.4	117.5	-178.6	-174.7	31.4	0	0	0	110
390	F	89.1	Confident	83	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.009	23%	0.227	C	C	.	.			trans	-160.4	156.2	179.9	59.2	-86.5	0	0	0	109.5	P155 L160 L392 W423	P155-F390 HydrophobicContact CB-CD1 3.82Å; P155-F390 HydrophobicContact CB-CD2 4.22Å; P155-F390 HydrophobicContact CB-CE1 3.53Å; P155-F390 HydrophobicContact CB-CE2 3.94Å; P155-F390 HydrophobicContact CB-CG 4.16Å; P155-F390 HydrophobicContact CB-CZ 3.59Å; L160-F390 HydrophobicContact CD2-CE2 3.75Å; L160-F390 HydrophobicContact CD2-CZ 3.88Å; L160-F390 HydrophobicContact CG-CE2 4.44Å; L160-F390 HydrophobicContact CG-CZ 4.06Å; F390-L392 HydrophobicContact CE2-CB 4.4Å; F390-W423 HydrophobicContact CE2-CE3 4.42Å; F390-W423 AromaticContact CE2-CZ3 3.87Å; F390-W423 HydrophobicContact CE2-CZ3 3.87Å; F390-W423 AromaticContact CZ-CZ3 3.97Å; F390-W423 HydrophobicContact CZ-CZ3 3.97Å
391	D	88.4	Confident	81.2	Confident	55 Å²	55	43.6 Å²	43.6	29%	0.294	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.9	173.6	-60.6	-52.3	0	0	0	108.9	R377 W423 S424	R377-D391 IonicContact CZ-OD2 3.54Å; R377-D391 IonicContact NE-OD2 3.5Å; R377-D391 IonicContact NH2-OD1 3.37Å; R377-D391 PolarHBondContact NH2-OD1 3.01Å; R377-D391 IonicContact NH2-OD2 2.79Å; R377-D391 PolarHBondContact NH2-OD2 3.47Å; D391-W423 CarbonylContact C-O 3.57Å; D391-W423 WeakPolarHBondContact CA-O 3.49Å; D391-S424 WeakPolarHBondContact OD1-CB 3.3Å
392	L	89.9	Confident	79.2	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.1	-179.9	-168	69.2	0	0	0	109.8	L160 A163 L263 F283 I285 F390 K422 W423	L160-L392 HydrophobicContact CD2-CD1 4.34Å; L160-L392 HydrophobicContact CD2-CD2 4Å; A163-L392 HydrophobicContact CB-CD2 3.89Å; L263-L392 HydrophobicContact CD2-CD1 3.76Å; F283-L392 HydrophobicContact CB-CD1 4.05Å; F283-L392 HydrophobicContact CB-CD2 4.05Å; F283-L392 HydrophobicContact CB-CG 4.13Å; F283-L392 HydrophobicContact CD1-CD2 3.42Å; F283-L392 VanDerWaalsContact CD1-CD2 3.42Å; F283-L392 HydrophobicContact CD1-CG 4.01Å; F283-L392 HydrophobicContact CE1-CD2 4.11Å; F283-L392 HydrophobicContact CG-CD2 3.92Å; F283-L392 HydrophobicContact CG-CG 4.45Å; I285-L392 HydrophobicContact CB-CD1 4.46Å; F390-L392 HydrophobicContact CE2-CB 4.4Å; L392-K422 CarbonylContact O-C 3.59Å; L392-K422 WeakPolarHBondContact O-CA 3.25Å; L392-W423 HydrophobicContact CB-CB 4.32Å; L392-W423 HydrophobicContact CB-CE3 4.08Å; L392-W423 PolarHBondContact N-O 3.09Å; L392-W423 PolarHBondContact O-N 3.12Å
393	D	88.4	Confident	77	Confident	8 Å²	8	47.7 Å²	47.7	4%	0.043	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	132	173.9	-76.8	-10.7	0	0	0	109.5	F283 R284 L419 K422	F283-D393 CarbonylContact C-O 3.3Å; F283-D393 WeakPolarHBondContact CA-O 3.5Å; R284-D393 HydrophobicContact CB-CB 4.06Å; R284-D393 IonicContact CZ-OD2 2.83Å; R284-D393 PolarHBondContact N-O 3.46Å; R284-D393 IonicContact NE-OD2 3.36Å; R284-D393 PolarHBondContact NE-OD2 3.15Å; R284-D393 IonicContact NH2-OD2 3.65Å; R284-D393 PolarHBondContact NH2-OD2 3.2Å; R284-D393 WeakPolarHBondContact O-CA 3.25Å; R284-D393 WeakPolarHBondContact O-CB 3.3Å; R284-D393 PolarHBondContact O-N 2.77Å; D393-L419 HydrophobicContact CB-CD1 3.47Å; D393-L419 VanDerWaalsContact CB-CD1 3.47Å; D393-K422 VanDerWaalsContact OD1-CE 3.32Å; D393-K422 WeakPolarHBondContact OD1-CE 2.94Å; D393-K422 IonicContact OD1-NZ 3.49Å
394	I	88.8	Confident	74.7	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	119.9	172.7	-65.2	161	0	0	0	107.9	L167 F283 V420 G421 W423 L429	L167-I394 HydrophobicContact CD1-CG2 4.48Å; F283-I394 HydrophobicContact CD1-CG1 3.95Å; F283-I394 HydrophobicContact CE1-CG1 3.94Å; I394-V420 PolarHBondContact O-N 2.74Å; I394-G421 PolarHBondContact N-O 3.23Å; I394-G421 PolarHBondContact O-N 3.41Å; I394-W423 HydrophobicContact CD1-CB 4.43Å; I394-L429 HydrophobicContact CD1-CD1 3.14Å; I394-L429 HydrophobicContact CD1-CG 4.48Å
395	V	85.6	Confident	72.5	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	144.8	-176.6	-64.3	0	0	0	0	110.5	L265 T281 G282 R284 V417 S418 L419	L265-V395 HydrophobicContact CD2-CG2 4.48Å; T281-V395 WeakPolarHBondContact CA-O 3.33Å; G282-V395 PolarHBondContact N-O 3.48Å; G282-V395 WeakPolarHBondContact O-CG2 3.21Å; G282-V395 PolarHBondContact O-N 3.33Å; R284-V395 HydrophobicContact CB-CG1 4.09Å; V395-V417 HydrophobicContact CB-CG1 3.45Å; V395-V417 VanDerWaalsContact CB-CG1 3.45Å; V395-V417 HydrophobicContact CG1-CG1 4.03Å; V395-V417 HydrophobicContact CG2-CG1 3.8Å; V395-S418 WeakPolarHBondContact CA-O 3.35Å; V395-L419 HydrophobicContact CG1-CD1 4.46Å
396	S	85	Confident	70.3	Confident	12 Å²	12	60.3 Å²	60.3	8%	0.084	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146.3	177.1	-172.4	0	0	0	0	111	M280 S418	M280-S396 VanDerWaalsContact O-CA 3.27Å; M280-S396 WeakPolarHBondContact O-CA 3.09Å; M280-S396 PolarHBondContact O-OG 3.25Å; S396-S418 PolarHBondContact N-O 2.94Å; S396-S418 PolarHBondContact O-N 3.05Å
397	L	79.8	Confident	67.8	Low	13 Å²	13	66.9 Å²	66.9	7%	0.068	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	132.5	173.9	-173.7	65.3	0	0	0	109.8	L270 R274 M280 W416	L270-L397 HydrophobicContact CB-CD1 3.96Å; L270-L397 HydrophobicContact CD1-CD1 4.24Å; R274-L397 HydrophobicContact CB-CD1 4.41Å; M280-L397 HydrophobicContact CB-CB 4Å; M280-L397 HydrophobicContact CB-CD2 4.39Å; M280-L397 HydrophobicContact CG-CD2 4.34Å; M280-L397 PolarHBondContact O-N 3Å; M280-L397 HydrophobicContact SD-CD2 3.7Å; L397-W416 HydrophobicContact CD1-CB 4.28Å
398	K	72.6	Confident	65.3	Low	79 Å²	79	75.1 Å²	75.1	34%	0.343	37%	0.373	S	S	.	.			trans	-124.7	151.7	174.4	-65.1	-69.9	-173.5	169.9	0	110.1	D400 W416 E433	K398-D400 WeakPolarHBondContact CB-O 3.39Å; K398-W416 PolarHBondContact N-O 3.16Å; K398-E433 IonicContact NZ-OE2 3.58Å; K398-E433 PolarHBondContact NZ-OE2 2.75Å
399	E	68.9	Low	63.4	Low	89 Å²	89	75.3 Å²	75.3	42%	0.416	37%	0.371	S	S	.	.	S	Bend	trans	-65.7	-44	174	-68.6	177.5	-165.3	0	0	110.2	R449	E399-R449 IonicContact OE1-NH2 3.05Å; E399-R449 PolarHBondContact OE1-NH2 2.87Å
400	D	59.5	Low	61.1	Low	123 Å²	123	79.9 Å²	79.9	66%	0.658	39%	0.39	S	S	*	.	S	Bend	trans	-86.8	119.2	172.2	-61.7	-39	0	0	0	109.7	K398	K398-D400 WeakPolarHBondContact CB-O 3.39Å
401	G	49.7	Very low	58.7	Low	20 Å²	20	91.1 Å²	91.1	21%	0.206	43%	0.433	C	S	.	.			trans	-62.7	159.1	165.6	0	0	0	0	0	111.2	E403 N415	G401-E403 PolarHBondContact O-N 3.03Å; G401-N415 CarbonylContact C-O 3.53Å; G401-N415 WeakPolarHBondContact CA-O 3.02Å
402	L	43.3	Very low	56.7	Low	101 Å²	101	89.5 Å²	89.5	53%	0.529	42%	0.424	S	S	.	.			trans	-39.1	108.9	-179.8	-91.6	142.9	0	0	0	112.9	K404 N415	L402-K404 PolarHBondContact O-N 2.67Å; L402-N415 PolarHBondContact N-O 2.72Å
403	E	35.4	Very low	54.6	Low	187 Å²	187	91.6 Å²	91.6	87%	0.874	45%	0.446	S	S	*	.	S	Bend	trans	-66	2	170.6	-87.1	-170.2	149.3	0	0	113.3	G401	G401-E403 PolarHBondContact O-N 3.03Å
404	K	33.9	Very low	52.9	Low	166 Å²	166	93 Å²	93	72%	0.722	45%	0.451	S	S	*	.	S	Bend	trans	-91.4	118.6	173.3	-73.4	-170.6	179.7	178.7	0	110.1	L402 F406	L402-K404 PolarHBondContact O-N 2.67Å; K404-F406 VanDerWaalsContact C-N 3.33Å; K404-F406 PolarHBondContact O-N 2.79Å
405	P	33	Very low	51.2	Low	107 Å²	107	96.4 Å²	96.4	70%	0.695	47%	0.47	S	S	*	.			trans	-78.8	82.5	-176.8	34	-33.2	0	0	0	109.2	K407	P405-K407 HydrophobicContact CB-CG 4.43Å; P405-K407 PolarHBondContact O-N 2.86Å
406	F	38.4	Very low	49.7	Very low	159 Å²	159	99.7 Å²	99.7	70%	0.697	48%	0.482	S	S	*	.			trans	-76.6	75.7	156.4	-116	-92.3	0	0	0	107.7	K404 H408 I409	K404-F406 VanDerWaalsContact C-N 3.33Å; K404-F406 PolarHBondContact O-N 2.79Å; F406-H408 PolarHBondContact O-N 3.23Å; F406-I409 HydrophobicContact CB-CD1 4.37Å; F406-I409 HydrophobicContact CD1-CD1 3.91Å; F406-I409 HydrophobicContact CD1-CG1 4.4Å; F406-I409 HydrophobicContact CG-CD1 4.42Å; F406-I409 PolarHBondContact O-N 3.26Å
407	K	33.6	Very low	48.6	Very low	167 Å²	167	100.3 Å²	100.3	73%	0.726	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-4.7	-173.7	-105.8	177.1	176.5	179.5	0	115.7	P405	P405-K407 HydrophobicContact CB-CG 4.43Å; P405-K407 PolarHBondContact O-N 2.86Å
408	H	36.8	Very low	48	Very low	175 Å²	175	100.3 Å²	100.3	81%	0.81	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-7.6	-179	-78.7	-58	0	0	0	115.5	F406 H410	F406-H408 PolarHBondContact O-N 3.23Å; H408-H410 VanDerWaalsContact C-N 3.32Å; H408-H410 PolarHBondContact O-N 3.49Å
409	I	45.4	Very low	48.1	Very low	52 Å²	52	98.6 Å²	98.6	27%	0.267	48%	0.481	S	S	.	.			trans	-100.9	31.8	-179.9	-51.8	171.2	0	0	0	110.3	F406 R411 I412 F414	F406-I409 HydrophobicContact CB-CD1 4.37Å; F406-I409 HydrophobicContact CD1-CD1 3.91Å; F406-I409 HydrophobicContact CD1-CG1 4.4Å; F406-I409 HydrophobicContact CG-CD1 4.42Å; F406-I409 PolarHBondContact O-N 3.26Å; I409-R411 PolarHBondContact O-N 3Å; I409-I412 HydrophobicContact CG2-CB 4.27Å; I409-I412 HydrophobicContact CG2-CD1 4.09Å; I409-I412 HydrophobicContact CG2-CG1 4.16Å; I409-F414 HydrophobicContact CG2-CD2 4.37Å
410	H	36.7	Very low	48.5	Very low	156 Å²	156	95.6 Å²	95.6	72%	0.722	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	1.7	-170.5	-125.3	-78.7	0	0	0	115	H408	H408-H410 VanDerWaalsContact C-N 3.32Å; H408-H410 PolarHBondContact O-N 3.49Å
411	R	40.1	Very low	49.6	Very low	238 Å²	238	89.8 Å²	89.8	90%	0.898	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.6	-2	-169.9	-157.3	169.1	167.1	157	-2.6	114.5	I409	I409-R411 PolarHBondContact O-N 3Å
412	I	46.9	Very low	51.4	Low	21 Å²	21	92.7 Å²	92.7	11%	0.108	45%	0.445	C	S	.	.	S	Bend	trans	-115.5	121.3	177.6	-32.3	176.5	0	0	0	106.4	E298 I409 F414	E298-I412 HydrophobicContact CB-CD1 4.17Å; E298-I412 HydrophobicContact CG-CD1 4.46Å; I409-I412 HydrophobicContact CG2-CB 4.27Å; I409-I412 HydrophobicContact CG2-CD1 4.09Å; I409-I412 HydrophobicContact CG2-CG1 4.16Å; I412-F414 HydrophobicContact CB-CD2 3.66Å; I412-F414 HydrophobicContact CB-CE2 3.61Å; I412-F414 HydrophobicContact CD1-CE2 4.31Å; I412-F414 HydrophobicContact CG2-CD2 3.68Å; I412-F414 HydrophobicContact CG2-CE2 3.16Å; I412-F414 HydrophobicContact CG2-CZ 3.83Å; I412-F414 PolarHBondContact O-N 2.8Å
413	G	44.9	Very low	53.7	Low	45 Å²	45	88.3 Å²	88.3	46%	0.464	42%	0.421	S	S	.	.	S	Bend	trans	-64.4	44.2	-166.7	0	0	0	0	0	117.4
414	F	52.3	Low	56.3	Low	36 Å²	36	80.4 Å²	80.4	16%	0.158	39%	0.386	C	S	.	.			trans	-90.4	8.9	-177.4	-64	-62.1	0	0	0	114.4	M266 V288 I409 I412 W416	M266-F414 HydrophobicContact CB-CE1 4.39Å; M266-F414 HydrophobicContact SD-CD1 4.09Å; M266-F414 HydrophobicContact SD-CE1 3.77Å; V288-F414 HydrophobicContact CG1-CE2 4.31Å; I409-F414 HydrophobicContact CG2-CD2 4.37Å; I412-F414 HydrophobicContact CB-CD2 3.66Å; I412-F414 HydrophobicContact CB-CE2 3.61Å; I412-F414 HydrophobicContact CD1-CE2 4.31Å; I412-F414 HydrophobicContact CG2-CD2 3.68Å; I412-F414 HydrophobicContact CG2-CE2 3.16Å; I412-F414 HydrophobicContact CG2-CZ 3.83Å; I412-F414 PolarHBondContact O-N 2.8Å; F414-W416 VanDerWaalsContact C-N 3.34Å; F414-W416 PolarHBondContact O-N 3.41Å
415	N	54	Low	58.6	Low	77 Å²	77	74.8 Å²	74.8	41%	0.412	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-25.4	-165.5	-71.1	-9.8	0	0	0	114.4	G401 L402	G401-N415 CarbonylContact C-O 3.53Å; G401-N415 WeakPolarHBondContact CA-O 3.02Å; L402-N415 PolarHBondContact N-O 2.72Å
416	W	52.8	Low	60.9	Low	71 Å²	71	75.1 Å²	75.1	27%	0.269	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-1.4	-165.3	-43.9	113.5	0	0	0	115.2	R274 L397 K398 F414	R274-W416 VanDerWaalsContact NH1-CE2 3.33Å; L397-W416 HydrophobicContact CD1-CB 4.28Å; K398-W416 PolarHBondContact N-O 3.16Å; F414-W416 VanDerWaalsContact C-N 3.34Å; F414-W416 PolarHBondContact O-N 3.41Å
417	V	61.8	Low	62.7	Low	25 Å²	25	70.4 Å²	70.4	15%	0.152	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.3	-174.9	178.2	0	0	0	0	109.2	L270 V395	L270-V417 HydrophobicContact CD1-CG2 3.85Å; V395-V417 HydrophobicContact CB-CG1 3.45Å; V395-V417 VanDerWaalsContact CB-CG1 3.45Å; V395-V417 HydrophobicContact CG1-CG1 4.03Å; V395-V417 HydrophobicContact CG2-CG1 3.8Å
418	S	68	Low	65.2	Low	13 Å²	13	63.4 Å²	63.4	9%	0.091	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	137.8	-176	-69.9	0	0	0	0	111.4	V395 S396 V420	V395-S418 WeakPolarHBondContact CA-O 3.35Å; S396-S418 PolarHBondContact N-O 2.94Å; S396-S418 PolarHBondContact O-N 3.05Å; S418-V420 PolarHBondContact O-N 2.95Å
419	L	74.3	Confident	67.5	Low	43 Å²	43	57.1 Å²	57.1	23%	0.225	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	116.3	173.7	-178.6	70.9	0	0	0	109.8	D393 V395 G421	D393-L419 HydrophobicContact CB-CD1 3.47Å; D393-L419 VanDerWaalsContact CB-CD1 3.47Å; V395-L419 HydrophobicContact CG1-CD1 4.46Å; L419-G421 WeakPolarHBondContact CD1-O 3.3Å
420	V	77.3	Confident	69.4	Low	26 Å²	26	59.9 Å²	59.9	16%	0.158	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-35.1	-177.8	-177.1	0	0	0	0	111.3	I394 S418 I431 T432 E433	I394-V420 PolarHBondContact O-N 2.74Å; S418-V420 PolarHBondContact O-N 2.95Å; V420-I431 HydrophobicContact CG1-CG2 4.14Å; V420-I431 WeakPolarHBondContact O-CG2 3.44Å; V420-T432 PolarHBondContact O-N 2.84Å; V420-T432 VanDerWaalsContact O-N 3.15Å; V420-T432 PolarHBondContact O-OG1 3.46Å; V420-E433 HydrophobicContact CG1-CB 4.29Å; V420-E433 PolarHBondContact O-N 2.61Å
421	G	83.5	Confident	71.3	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	175.4	-178.5	0	0	0	0	0	113	I394 L419 N430	I394-G421 PolarHBondContact N-O 3.23Å; I394-G421 PolarHBondContact O-N 3.41Å; L419-G421 WeakPolarHBondContact CD1-O 3.3Å; G421-N430 WeakPolarHBondContact CA-O 3.41Å
422	K	87.9	Confident	72.6	Confident	81 Å²	81	46.9 Å²	46.9	35%	0.352	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	144.4	175.6	-60.4	-165.5	174.8	-164.3	0	109.7	L392 D393 N430	L392-K422 CarbonylContact O-C 3.59Å; L392-K422 WeakPolarHBondContact O-CA 3.25Å; D393-K422 VanDerWaalsContact OD1-CE 3.32Å; D393-K422 WeakPolarHBondContact OD1-CE 2.94Å; D393-K422 IonicContact OD1-NZ 3.49Å; K422-N430 PolarHBondContact N-O 3.03Å; K422-N430 CarbonylContact O-C 3.58Å; K422-N430 PolarHBondContact O-N 2.94Å; K422-N430 VanDerWaalsContact O-O 3.06Å
423	W	90.8	Very high	73.1	Confident	8 Å²	8	49.5 Å²	49.5	3%	0.03	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.7	174.1	-179.6	91.7	0	0	0	109.4	S159 A163 D166 F390 D391 L392 I394 A425 G428 L429	S159-W423 WeakPolarHBondContact O-CH2 3.35Å; S159-W423 WeakPolarHBondContact O-CZ2 3.35Å; A163-W423 HydrophobicContact CB-CD2 3.43Å; A163-W423 VanDerWaalsContact CB-CD2 3.43Å; A163-W423 HydrophobicContact CB-CE3 3.78Å; A163-W423 HydrophobicContact CB-CG 3.79Å; A163-W423 HydrophobicContact CB-CH2 4.27Å; A163-W423 HydrophobicContact CB-CZ2 3.96Å; A163-W423 HydrophobicContact CB-CZ3 4.19Å; D166-W423 PolarHBondContact OD2-NE1 2.86Å; F390-W423 HydrophobicContact CE2-CE3 4.42Å; F390-W423 AromaticContact CE2-CZ3 3.87Å; F390-W423 HydrophobicContact CE2-CZ3 3.87Å; F390-W423 AromaticContact CZ-CZ3 3.97Å; F390-W423 HydrophobicContact CZ-CZ3 3.97Å; D391-W423 CarbonylContact C-O 3.57Å; D391-W423 WeakPolarHBondContact CA-O 3.49Å; L392-W423 HydrophobicContact CB-CB 4.32Å; L392-W423 HydrophobicContact CB-CE3 4.08Å; L392-W423 PolarHBondContact N-O 3.09Å; L392-W423 PolarHBondContact O-N 3.12Å; I394-W423 HydrophobicContact CD1-CB 4.43Å; W423-A425 HydrophobicContact CH2-CB 4.14Å; W423-A425 HydrophobicContact CZ3-CB 4.42Å; W423-G428 WeakPolarHBondContact CA-O 3.34Å; W423-G428 VanDerWaalsContact CD1-C 3.49Å; W423-L429 HydrophobicContact CB-CD1 4.48Å
424	S	89.1	Confident	72.9	Confident	21 Å²	21	52.9 Å²	52.9	15%	0.147	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	153.4	169.9	86.3	0	0	0	0	111	D391 S426 G427 G428	D391-S424 WeakPolarHBondContact OD1-CB 3.3Å; S424-S426 PolarHBondContact O-N 3.37Å; S424-G427 PolarHBondContact O-N 3.22Å; S424-G427 WeakPolarHBondContact OG-CA 3.37Å; S424-G427 PolarHBondContact OG-N 2.74Å; S424-G428 PolarHBondContact N-O 3.13Å; S424-G428 VanDerWaalsContact N-O 3.16Å; S424-G428 WeakPolarHBondContact O-CA 3.31Å; S424-G428 PolarHBondContact O-N 2.89Å
425	A	82.4	Confident	72.5	Confident	48 Å²	48	54.9 Å²	54.9	40%	0.397	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.5	-177.5	0	0	0	0	0	113.7	W423	W423-A425 HydrophobicContact CH2-CB 4.14Å; W423-A425 HydrophobicContact CZ3-CB 4.42Å
426	S	81.6	Confident	71.6	Confident	114 Å²	114	59 Å²	59	80%	0.797	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-30.8	-179.8	54.2	0	0	0	0	113.8	S424	S424-S426 PolarHBondContact O-N 3.37Å
427	G	77.5	Confident	70.9	Confident	60 Å²	60	67 Å²	67	62%	0.619	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-9.3	-175	0	0	0	0	0	114.5	S424	S424-G427 PolarHBondContact O-N 3.22Å; S424-G427 WeakPolarHBondContact OG-CA 3.37Å; S424-G427 PolarHBondContact OG-N 2.74Å
428	G	84.8	Confident	69.7	Low	21 Å²	21	71.3 Å²	71.3	22%	0.216	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	64.4	-156.2	-176	0	0	0	0	0	112.5	W423 S424 N430	W423-G428 WeakPolarHBondContact CA-O 3.34Å; W423-G428 VanDerWaalsContact CD1-C 3.49Å; S424-G428 PolarHBondContact N-O 3.13Å; S424-G428 VanDerWaalsContact N-O 3.16Å; S424-G428 WeakPolarHBondContact O-CA 3.31Å; S424-G428 PolarHBondContact O-N 2.89Å; G428-N430 PolarHBondContact O-N 2.81Å
429	L	86.1	Confident	68	Low	42 Å²	42	73 Å²	73	22%	0.22	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	115.6	-177.9	-179.3	54.3	0	0	0	112.2	D166 Y170 I394 W423 I431	D166-L429 HydrophobicContact CB-CB 4.04Å; D166-L429 HydrophobicContact CB-CD2 4.37Å; Y170-L429 HydrophobicContact CG-CD2 4.23Å; I394-L429 HydrophobicContact CD1-CD1 3.14Å; I394-L429 HydrophobicContact CD1-CG 4.48Å; W423-L429 HydrophobicContact CB-CD1 4.48Å; L429-I431 HydrophobicContact CD1-CD1 4.35Å; L429-I431 HydrophobicContact CD1-CG1 3.84Å; L429-I431 HydrophobicContact CD2-CD1 3.96Å; L429-I431 HydrophobicContact CD2-CG1 4.31Å; L429-I431 HydrophobicContact CG-CD1 4.04Å; L429-I431 HydrophobicContact CG-CG1 3.85Å
430	N	85.3	Confident	66.3	Low	110 Å²	110	79.1 Å²	79.1	59%	0.588	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	108.1	172.7	-171.2	6.8	0	0	0	110.8	G421 K422 G428	G421-N430 WeakPolarHBondContact CA-O 3.41Å; K422-N430 PolarHBondContact N-O 3.03Å; K422-N430 CarbonylContact O-C 3.58Å; K422-N430 PolarHBondContact O-N 2.94Å; K422-N430 VanDerWaalsContact O-O 3.06Å; G428-N430 PolarHBondContact O-N 2.81Å
431	I	76.6	Confident	64.4	Low	31 Å²	31	83.3 Å²	83.3	16%	0.159	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	115.7	-176	-63.7	173.7	0	0	0	109.2	Y170 V420 L429 E433	Y170-I431 HydrophobicContact CD1-CD1 3.34Å; Y170-I431 HydrophobicContact CD2-CD1 3.56Å; Y170-I431 HydrophobicContact CE1-CD1 3.16Å; Y170-I431 HydrophobicContact CE2-CD1 3.4Å; Y170-I431 HydrophobicContact CG-CD1 3.52Å; V420-I431 HydrophobicContact CG1-CG2 4.14Å; V420-I431 WeakPolarHBondContact O-CG2 3.44Å; L429-I431 HydrophobicContact CD1-CD1 4.35Å; L429-I431 HydrophobicContact CD1-CG1 3.84Å; L429-I431 HydrophobicContact CD2-CD1 3.96Å; L429-I431 HydrophobicContact CD2-CG1 4.31Å; L429-I431 HydrophobicContact CG-CD1 4.04Å; L429-I431 HydrophobicContact CG-CG1 3.85Å; I431-E433 HydrophobicContact CG2-CB 4.46Å; I431-E433 WeakPolarHBondContact CG2-O 3.46Å
432	T	66.6	Low	62.7	Low	90 Å²	90	88.3 Å²	88.3	55%	0.552	49%	0.488	S	S	*	.	S	Bend	trans	-79.2	-29.5	-178.9	47	0	0	0	0	112.2	V420 V434	V420-T432 PolarHBondContact O-N 2.84Å; V420-T432 VanDerWaalsContact O-N 3.15Å; V420-T432 PolarHBondContact O-OG1 3.46Å; T432-V434 PolarHBondContact O-N 3.29Å; T432-V434 VanDerWaalsContact O-N 3.15Å
433	E	56.8	Low	60.7	Low	76 Å²	76	89.7 Å²	89.7	36%	0.355	50%	0.504	S	S	.	.	S	Bend	trans	-77.5	91.5	162.4	-72.5	-163.3	164.3	0	0	108.8	K398 V420 I431 P435	K398-E433 IonicContact NZ-OE2 3.58Å; K398-E433 PolarHBondContact NZ-OE2 2.75Å; V420-E433 HydrophobicContact CG1-CB 4.29Å; V420-E433 PolarHBondContact O-N 2.61Å; I431-E433 HydrophobicContact CG2-CB 4.46Å; I431-E433 WeakPolarHBondContact CG2-O 3.46Å; E433-P435 WeakPolarHBondContact O-CD 3.49Å
434	V	41.2	Very low	58.6	Low	117 Å²	117	94 Å²	94	71%	0.709	53%	0.527	S	S	*	.			trans	-50.4	114.8	155	-179.6	0	0	0	0	104.3	T432 K436	T432-V434 PolarHBondContact O-N 3.29Å; T432-V434 VanDerWaalsContact O-N 3.15Å; V434-K436 VanDerWaalsContact C-N 3.31Å; V434-K436 PolarHBondContact O-N 3.36Å
435	P	43.6	Very low	57	Low	78 Å²	78	95.2 Å²	95.2	51%	0.506	54%	0.536	S	S	.	.			trans	-55.1	115	171.8	22.9	-29.4	0	0	0	101.6	E433 R437	E433-P435 WeakPolarHBondContact O-CD 3.49Å; P435-R437 PolarHBondContact O-N 3.23Å
436	K	36.3	Very low	56.1	Low	162 Å²	162	93.5 Å²	93.5	70%	0.704	52%	0.52	S	S	*	.			trans	-55.5	99	172.8	-87.4	176.1	176.1	171.1	0	103	V434 K438	V434-K436 VanDerWaalsContact C-N 3.31Å; V434-K436 PolarHBondContact O-N 3.36Å; K436-K438 HydrophobicContact CB-CB 4.02Å; K436-K438 HydrophobicContact CB-CD 4.21Å; K436-K438 HydrophobicContact CB-CG 3.88Å; K436-K438 HydrophobicContact CD-CD 3.77Å; K436-K438 HydrophobicContact CD-CG 3.95Å; K436-K438 HydrophobicContact CG-CG 4.23Å; K436-K438 PolarHBondContact O-N 3.08Å
437	R	37.9	Very low	55	Low	239 Å²	239	91 Å²	91	90%	0.902	50%	0.502	S	S	*	.			trans	-61.3	55	135.9	-72.1	-176.2	173.9	-178.4	-1.9	105.3	P435 G439	P435-R437 PolarHBondContact O-N 3.23Å; R437-G439 PolarHBondContact O-N 3.36Å
438	K	36.1	Very low	54.4	Low	117 Å²	117	95.4 Å²	95.4	51%	0.509	51%	0.512	S	S	.	.			trans	-53.3	120.5	144.6	-97.9	174.7	168.6	-173.2	0	101.2	K436	K436-K438 HydrophobicContact CB-CB 4.02Å; K436-K438 HydrophobicContact CB-CD 4.21Å; K436-K438 HydrophobicContact CB-CG 3.88Å; K436-K438 HydrophobicContact CD-CD 3.77Å; K436-K438 HydrophobicContact CD-CG 3.95Å; K436-K438 HydrophobicContact CG-CG 4.23Å; K436-K438 PolarHBondContact O-N 3.08Å
439	G	33.2	Very low	53.6	Low	48 Å²	48	98.2 Å²	98.2	50%	0.495	52%	0.516	S	S	.	.			trans	-50.9	169.4	-178.4	0	0	0	0	0	110.5	R437 N441	R437-G439 PolarHBondContact O-N 3.36Å; G439-N441 PolarHBondContact O-N 3.28Å
440	M	38.8	Very low	53.5	Low	172 Å²	172	99.8 Å²	99.8	85%	0.847	53%	0.53	S	S	*	.			trans	-54.7	67.5	161.1	-75.6	144.9	47.2	0	0	110.7	I797	M440-I797 HydrophobicContact CE-CD1 4.36Å
441	N	37.3	Very low	53.7	Low	113 Å²	113	94.7 Å²	94.7	60%	0.604	50%	0.503	S	S	*	.			trans	-80.6	119.5	156.8	-74.2	-3.3	0	0	0	103.4	G439 T443 D444	G439-N441 PolarHBondContact O-N 3.28Å; N441-T443 PolarHBondContact O-N 2.81Å; N441-D444 PolarHBondContact O-N 2.77Å
442	I	46.7	Very low	54.4	Low	107 Å²	107	94.4 Å²	94.4	55%	0.549	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-13.9	178.5	-62.4	155.9	0	0	0	111.4	I491	I442-I491 HydrophobicContact CG2-CG2 4.44Å
443	T	45.3	Very low	55.7	Low	109 Å²	109	90.2 Å²	90.2	67%	0.669	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	5	-173.3	51.7	0	0	0	0	117.6	N441 S445	N441-T443 PolarHBondContact O-N 2.81Å; T443-S445 PolarHBondContact O-N 2.9Å
444	D	48.5	Very low	57.6	Low	98 Å²	98	86.6 Å²	86.6	52%	0.524	46%	0.46	S	S	.	.	S	Bend	trans	-74.3	69.8	156.1	-88.6	-1.8	0	0	0	107.4	N441 K794	N441-D444 PolarHBondContact O-N 2.77Å; D444-K794 PolarHBondContact O-NZ 3.2Å
445	S	55	Low	60.2	Low	48 Å²	48	81.1 Å²	81.1	34%	0.336	43%	0.427	S	S	.	.			trans	-68.6	141	-159.2	-167.7	0	0	0	0	109.8	T443 S447 L492	T443-S445 PolarHBondContact O-N 2.9Å; S445-S447 WeakPolarHBondContact CB-OG 3.34Å; S445-S447 PolarHBondContact O-N 3.38Å; S445-S447 VanDerWaalsContact OG-CB 3.29Å; S445-S447 WeakPolarHBondContact OG-CB 3.46Å; S445-L492 PolarHBondContact OG-O 3.21Å
446	L	63.4	Low	62.5	Low	11 Å²	11	78.3 Å²	78.3	6%	0.058	41%	0.407	C	S	.	.			trans	-71.2	24.4	168.6	-67.1	160.7	0	0	0	110.6	N448 R449 L492 F494 Y791	L446-N448 PolarHBondContact O-N 3.16Å; L446-R449 PolarHBondContact O-N 3.22Å; L446-R449 VanDerWaalsContact O-N 3.13Å; L446-L492 HydrophobicContact CD1-CB 4.25Å; L446-L492 HydrophobicContact CD1-CD1 4.43Å; L446-L492 PolarHBondContact N-O 2.93Å; L446-F494 HydrophobicContact CB-CB 3.68Å; L446-F494 HydrophobicContact CB-CD1 4.41Å; L446-F494 HydrophobicContact CD1-CD1 4.04Å; L446-F494 WeakPolarHBondContact O-CA 3.48Å; L446-Y791 HydrophobicContact CD1-CD1 4.27Å; L446-Y791 HydrophobicContact CD2-CD1 3.7Å; L446-Y791 HydrophobicContact CD2-CE1 3.4Å; L446-Y791 VanDerWaalsContact CD2-CE1 3.4Å
447	S	58.1	Low	65.2	Low	61 Å²	61	74.5 Å²	74.5	43%	0.427	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.2	-159.5	42.4	0	0	0	0	116.1	S445 G493	S445-S447 WeakPolarHBondContact CB-OG 3.34Å; S445-S447 PolarHBondContact O-N 3.38Å; S445-S447 VanDerWaalsContact OG-CB 3.29Å; S445-S447 WeakPolarHBondContact OG-CB 3.46Å; S447-G493 VanDerWaalsContact CA-O 3.23Å; S447-G493 WeakPolarHBondContact CA-O 3.43Å
448	N	64.3	Low	67.7	Low	153 Å²	153	65 Å²	65	82%	0.818	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	17.5	-177.5	-70.7	-12.5	0	0	0	113.3	L446	L446-N448 PolarHBondContact O-N 3.16Å
449	R	69.1	Low	70.3	Confident	81 Å²	81	64.9 Å²	64.9	31%	0.306	36%	0.361	S	S	.	.			trans	-115.7	143.4	-177	-63.4	-170.7	177.8	-162	-4.6	111.9	E399 L446 T495	E399-R449 IonicContact OE1-NH2 3.05Å; E399-R449 PolarHBondContact OE1-NH2 2.87Å; L446-R449 PolarHBondContact O-N 3.22Å; L446-R449 VanDerWaalsContact O-N 3.13Å; R449-T495 VanDerWaalsContact C-OG1 3.24Å; R449-T495 WeakPolarHBondContact O-CA 3.34Å; R449-T495 PolarHBondContact O-N 3.35Å; R449-T495 VanDerWaalsContact O-O 3.07Å; R449-T495 PolarHBondContact O-OG1 2.9Å
450	S	83.8	Confident	73.1	Confident	74 Å²	74	62.6 Å²	62.6	52%	0.517	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	111.8	172.1	-172.2	0	0	0	0	109.4	T495	S450-T495 CarbonylContact C-O 3.55Å; S450-T495 VanDerWaalsContact CA-O 3.24Å; S450-T495 WeakPolarHBondContact CA-O 3.38Å; S450-T495 WeakPolarHBondContact CA-OG1 3.26Å; S450-T495 WeakPolarHBondContact CB-OG1 3.45Å; S450-T495 PolarHBondContact N-OG1 2.92Å
451	L	88.7	Confident	75.7	Confident	4 Å²	4	54.5 Å²	54.5	2%	0.021	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.4	179.2	-60.9	-177.8	0	0	0	110.9	F494 T495 Y496 E497 D528 L529 Y791	L451-F494 HydrophobicContact CB-CD2 4.35Å; L451-F494 HydrophobicContact CD1-CB 4.28Å; L451-F494 HydrophobicContact CD1-CD1 4.36Å; L451-F494 HydrophobicContact CD1-CD2 3.73Å; L451-F494 HydrophobicContact CD1-CE2 4.12Å; L451-F494 HydrophobicContact CD1-CG 3.87Å; L451-F494 HydrophobicContact CG-CB 4.44Å; L451-F494 HydrophobicContact CG-CD2 4.12Å; L451-F494 HydrophobicContact CG-CG 4.41Å; L451-T495 PolarHBondContact N-O 2.85Å; L451-Y496 CarbonylContact O-C 3.55Å; L451-Y496 WeakPolarHBondContact O-CA 3.4Å; L451-Y496 WeakPolarHBondContact O-CB 3.08Å; L451-E497 PolarHBondContact O-N 2.75Å; L451-D528 HydrophobicContact CB-CB 4.41Å; L451-D528 HydrophobicContact CD2-CB 4.21Å; L451-L529 HydrophobicContact CD1-CD1 3.62Å; L451-L529 HydrophobicContact CD1-CG 4.46Å; L451-Y791 HydrophobicContact CD2-CE2 4.06Å
452	V	91.1	Very high	78.5	Confident	25 Å²	25	49.1 Å²	49.1	15%	0.152	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	118.3	173.5	-177.8	0	0	0	0	109.2	R499 A527 D528 L529	V452-R499 HydrophobicContact CG1-CG 4.16Å; V452-A527 HydrophobicContact CG1-CB 4.48Å; V452-D528 PolarHBondContact N-OD2 2.87Å; V452-D528 PolarHBondContact O-N 3.43Å; V452-L529 PolarHBondContact O-N 3.43Å
453	I	95.3	Very high	80.7	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.01	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	117.3	-175.4	-58.7	178.7	0	0	0	109.1	L485 F494 Y496 E497 R499 L529 V531	I453-L485 HydrophobicContact CD1-CD1 3.22Å; I453-L485 HydrophobicContact CD1-CD2 3.36Å; I453-L485 HydrophobicContact CD1-CG 3.85Å; I453-L485 HydrophobicContact CG2-CD2 4.31Å; I453-F494 HydrophobicContact CD1-CE2 4.43Å; I453-Y496 VanDerWaalsContact CD1-CB 3.41Å; I453-Y496 HydrophobicContact CD1-CD2 3.9Å; I453-Y496 HydrophobicContact CD1-CG 3.73Å; I453-E497 PolarHBondContact N-O 3.21Å; I453-R499 PolarHBondContact O-N 2.81Å; I453-L529 CarbonylContact C-O 3.6Å; I453-L529 WeakPolarHBondContact CA-O 3.33Å; I453-L529 HydrophobicContact CG1-CB 4.34Å; I453-V531 HydrophobicContact CG2-CB 3.96Å; I453-V531 HydrophobicContact CG2-CG2 3.87Å
454	T	95.7	Very high	82.9	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	137.9	171.8	-169.1	0	0	0	0	110.6	R499 M518 E521 A527 L529 A530 V531	T454-R499 WeakPolarHBondContact CA-O 3.29Å; T454-M518 HydrophobicContact CG2-CB 4.02Å; T454-M518 HydrophobicContact CG2-CG 4.07Å; T454-M518 HydrophobicContact CG2-SD 4.47Å; T454-E521 WeakPolarHBondContact CB-OE2 3.27Å; T454-E521 PolarHBondContact OG1-OE2 2.97Å; T454-A527 HydrophobicContact CG2-CB 3.64Å; T454-L529 PolarHBondContact N-O 2.94Å; T454-A530 HydrophobicContact CG2-CB 3.67Å; T454-A530 WeakPolarHBondContact O-CA 3.37Å; T454-V531 PolarHBondContact O-N 3.43Å
455	T	95.3	Very high	84.9	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	174.1	177.2	-160.5	0	0	0	0	111.8	V462 I498 R499 L500 V501 V531	T455-V462 HydrophobicContact CG2-CG1 4.15Å; T455-V462 HydrophobicContact CG2-CG2 4.35Å; T455-V462 WeakPolarHBondContact OG1-CG2 3.36Å; T455-I498 HydrophobicContact CG2-CG2 3.73Å; T455-R499 PolarHBondContact N-O 3.18Å; T455-L500 HydrophobicContact CG2-CD2 4Å; T455-L500 WeakPolarHBondContact O-CA 3.48Å; T455-V501 PolarHBondContact O-N 3.1Å; T455-V531 WeakPolarHBondContact CB-O 3.1Å; T455-V531 PolarHBondContact OG1-O 3.45Å
456	I	93.2	Very high	86.4	Confident	19 Å²	19	52.5 Å²	52.5	10%	0.097	27%	0.265	C	S	.	.			trans	-129	147.5	-179	-173	171.7	0	0	0	109.5	E458 V462 V501 G504 Y506 M518 A532	I456-E458 PolarHBondContact O-N 3.03Å; I456-V462 WeakPolarHBondContact O-CB 3.46Å; I456-V501 HydrophobicContact CB-CG1 4.21Å; I456-V501 HydrophobicContact CG1-CG1 4.38Å; I456-G504 WeakPolarHBondContact CD1-O 3.12Å; I456-Y506 HydrophobicContact CD1-CE2 4.22Å; I456-Y506 HydrophobicContact CG2-CE1 3.78Å; I456-Y506 VanDerWaalsContact CG2-OH 3.31Å; I456-Y506 WeakPolarHBondContact CG2-OH 3.24Å; I456-M518 HydrophobicContact CB-CE 4.17Å; I456-M518 HydrophobicContact CB-SD 4.4Å; I456-M518 HydrophobicContact CG2-CE 3.81Å; I456-M518 HydrophobicContact CG2-SD 4.42Å; I456-A532 HydrophobicContact CG2-CB 4.2Å
457	L	92.3	Very high	87.3	Confident	83 Å²	83	54.8 Å²	54.8	44%	0.435	28%	0.282	S	S	.	.			trans	-75.2	111.9	174.6	-65.2	176.8	0	0	0	109.9	V462 L464 F477 L500	L457-V462 HydrophobicContact CD2-CG1 4.2Å; L457-L464 HydrophobicContact CD1-CD1 4.46Å; L457-L464 HydrophobicContact CD2-CD2 4.48Å; L457-L464 HydrophobicContact CD2-CG 4.25Å; L457-F477 HydrophobicContact CD2-CD1 4.22Å; L457-F477 HydrophobicContact CD2-CE1 4.06Å; L457-L500 HydrophobicContact CD1-CD1 4.19Å; L457-L500 HydrophobicContact CD2-CD1 4.41Å; L457-L500 HydrophobicContact CD2-CD2 3.93Å; L457-L500 HydrophobicContact CG-CD1 4.21Å; L457-L500 HydrophobicContact CG-CD2 3.94Å
458	E	90.1	Very high	88.4	Confident	39 Å²	39	60.5 Å²	60.5	18%	0.182	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-152.4	128.8	174.6	-171.8	164.8	-141.8	0	0	110.1	I456 Y461 V462 Y506 P533	I456-E458 PolarHBondContact O-N 3.03Å; E458-Y461 HydrophobicContact CG-CD2 4.25Å; E458-Y461 WeakPolarHBondContact O-CA 3.35Å; E458-Y461 WeakPolarHBondContact O-CB 3.38Å; E458-Y461 PolarHBondContact O-N 2.95Å; E458-V462 CarbonylContact C-O 3.37Å; E458-V462 PolarHBondContact N-O 3.46Å; E458-V462 PolarHBondContact O-N 3.02Å; E458-Y506 PolarHBondContact OE2-OH 3.39Å; E458-P533 VanDerWaalsContact OE2-CG 3.23Å; E458-P533 WeakPolarHBondContact OE2-CG 3.33Å
459	E	90.5	Very high	89.3	Confident	114 Å²	114	61.1 Å²	61.1	53%	0.533	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	140.1	179.7	-49.7	-165.1	173.3	0	0	111.6	M463 Y761 R765	E459-M463 HydrophobicContact CB-CG 4.2Å; E459-M463 HydrophobicContact CB-SD 3.86Å; E459-M463 HydrophobicContact CG-CG 3.92Å; E459-M463 HydrophobicContact CG-SD 3.79Å; E459-Y761 HydrophobicContact CB-CE1 3.99Å; E459-Y761 PolarHBondContact OE2-OH 2.96Å; E459-R765 IonicContact OE2-NH1 2.85Å
460	P	92.4	Very high	89.9	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.006	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	cis	-90.4	15.4	-5	34.9	-33.4	0	0	0	114.4	G479 F480 Y761 W815 W816	P460-G479 VanDerWaalsContact O-CA 3.31Å; P460-G479 WeakPolarHBondContact O-CA 3.14Å; P460-F480 PolarHBondContact O-N 3.15Å; P460-Y761 HydrophobicContact CB-CD2 4.11Å; P460-Y761 HydrophobicContact CB-CE2 3.42Å; P460-Y761 VanDerWaalsContact CB-CE2 3.42Å; P460-Y761 HydrophobicContact CG-CD2 3.62Å; P460-Y761 HydrophobicContact CG-CE1 4.48Å; P460-Y761 HydrophobicContact CG-CE2 3.49Å; P460-Y761 VanDerWaalsContact CG-CE2 3.49Å; P460-Y761 HydrophobicContact CG-CG 4.15Å; P460-W815 HydrophobicContact CB-CB 4.39Å; P460-W816 HydrophobicContact CG-CD2 4.21Å; P460-W816 HydrophobicContact CG-CE3 4.16Å; P460-W816 HydrophobicContact CG-CH2 3.79Å; P460-W816 HydrophobicContact CG-CZ2 3.82Å; P460-W816 HydrophobicContact CG-CZ3 3.97Å
461	Y	94.1	Very high	90	Very high	1 Å²	1	61.2 Å²	61.2	0%	0.004	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-51.7	-172.1	-59.9	-80.9	0	0	0	112.7	E458 G479 F480 C481 P533 T757 Y781 W816	E458-Y461 HydrophobicContact CG-CD2 4.25Å; E458-Y461 WeakPolarHBondContact O-CA 3.35Å; E458-Y461 WeakPolarHBondContact O-CB 3.38Å; E458-Y461 PolarHBondContact O-N 2.95Å; Y461-G479 CarbonylContact O-C 3.56Å; Y461-G479 VanDerWaalsContact O-C 3.24Å; Y461-G479 VanDerWaalsContact O-CA 3.29Å; Y461-G479 WeakPolarHBondContact O-CA 3.27Å; Y461-F480 HydrophobicContact CD1-CD1 4.24Å; Y461-F480 PolarHBondContact O-N 3.08Å; Y461-F480 VanDerWaalsContact O-N 3.12Å; Y461-C481 WeakPolarHBondContact O-CB 3.46Å; Y461-C481 PolarHBondContact O-N 2.6Å; Y461-P533 HydrophobicContact CD1-CB 3.91Å; Y461-P533 HydrophobicContact CD1-CG 4.2Å; Y461-P533 HydrophobicContact CD2-CB 3.95Å; Y461-P533 HydrophobicContact CD2-CG 3.67Å; Y461-P533 HydrophobicContact CE1-CB 3.87Å; Y461-P533 HydrophobicContact CE2-CB 3.92Å; Y461-P533 HydrophobicContact CE2-CG 4.09Å; Y461-P533 HydrophobicContact CG-CB 3.94Å; Y461-P533 HydrophobicContact CG-CG 3.73Å; Y461-T757 WeakPolarHBondContact OH-CB 3.34Å; Y461-T757 PolarHBondContact OH-OG1 3.24Å; Y461-Y781 HydrophobicContact CE1-CD2 4.41Å; Y461-Y781 HydrophobicContact CE1-CE2 4.15Å; Y461-Y781 AromaticContact CZ-CE2 3.93Å; Y461-Y781 WeakPolarHBondContact OH-CE2 3.31Å; Y461-W816 HydrophobicContact CD1-CH2 4.22Å; Y461-W816 AromaticContact CE1-CH2 3.59Å; Y461-W816 HydrophobicContact CE1-CH2 3.59Å; Y461-W816 HydrophobicContact CE1-CZ2 4.08Å; Y461-W816 AromaticContact CZ-CH2 3.84Å; Y461-W816 AromaticContact CZ-CZ2 3.84Å
462	V	95.1	Very high	89.8	Confident	1 Å²	1	67 Å²	67	1%	0.006	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-144	117.9	177.4	-176.7	0	0	0	0	109.2	T455 I456 L457 E458 F477 C481 I482	T455-V462 HydrophobicContact CG2-CG1 4.15Å; T455-V462 HydrophobicContact CG2-CG2 4.35Å; T455-V462 WeakPolarHBondContact OG1-CG2 3.36Å; I456-V462 WeakPolarHBondContact O-CB 3.46Å; L457-V462 HydrophobicContact CD2-CG1 4.2Å; E458-V462 CarbonylContact C-O 3.37Å; E458-V462 PolarHBondContact N-O 3.46Å; E458-V462 PolarHBondContact O-N 3.02Å; V462-F477 HydrophobicContact CG1-CB 4.28Å; V462-F477 HydrophobicContact CG1-CD1 4.08Å; V462-F477 HydrophobicContact CG1-CG 4.41Å; V462-C481 HydrophobicContact CG2-CB 3.84Å; V462-I482 HydrophobicContact CG1-CD1 4.12Å; V462-I482 HydrophobicContact CG1-CG1 4.38Å; V462-I482 HydrophobicContact CG2-CD1 4.03Å; V462-I482 HydrophobicContact CG2-CG1 4.32Å
463	M	93.1	Very high	89.7	Confident	29 Å²	29	67.3 Å²	67.3	14%	0.143	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	154.4	-176.8	-57.2	-174.4	-69.7	0	0	109.4	E459 F477 E478 W815	E459-M463 HydrophobicContact CB-CG 4.2Å; E459-M463 HydrophobicContact CB-SD 3.86Å; E459-M463 HydrophobicContact CG-CG 3.92Å; E459-M463 HydrophobicContact CG-SD 3.79Å; M463-F477 CarbonylContact O-C 3.49Å; M463-F477 WeakPolarHBondContact O-CA 3.46Å; M463-E478 HydrophobicContact CB-CG 4.33Å; M463-E478 PolarHBondContact N-O 3.45Å; M463-E478 PolarHBondContact O-N 3.01Å; M463-W815 HydrophobicContact CE-CE3 3.95Å; M463-W815 HydrophobicContact CE-CH2 4.49Å; M463-W815 HydrophobicContact CE-CZ3 3.49Å; M463-W815 VanDerWaalsContact CE-CZ3 3.49Å
464	L	91.7	Very high	89.4	Confident	103 Å²	103	69.4 Å²	69.4	54%	0.539	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	125.3	169.8	-70	171.8	0	0	0	109.1	L457 K466 F477	L457-L464 HydrophobicContact CD1-CD1 4.46Å; L457-L464 HydrophobicContact CD2-CD2 4.48Å; L457-L464 HydrophobicContact CD2-CG 4.25Å; L464-K466 PolarHBondContact O-N 2.86Å; L464-F477 HydrophobicContact CD2-CD1 3.9Å; L464-F477 HydrophobicContact CD2-CE1 3.6Å
465	K	90.3	Very high	89.1	Confident	100 Å²	100	74.1 Å²	74.1	44%	0.435	40%	0.398	S	S	.	.			trans	-68.3	121.5	179	-177.7	166	-176	-178.1	0	110.2	S467 L471 R476 E478	K465-S467 PolarHBondContact O-N 3.1Å; K465-L471 HydrophobicContact CB-CD1 4.27Å; K465-L471 HydrophobicContact CD-CD1 3.85Å; K465-L471 HydrophobicContact CG-CD1 4.07Å; K465-R476 PolarHBondContact N-O 3.07Å; K465-E478 HydrophobicContact CB-CB 4.31Å; K465-E478 HydrophobicContact CB-CG 4.07Å; K465-E478 WeakPolarHBondContact CG-OE2 3.42Å
466	K	86.2	Confident	88.9	Confident	201 Å²	201	79.4 Å²	79.4	87%	0.874	42%	0.418	S	S	*	.			trans	-75.6	112.5	173.6	-65.7	179.9	-176.8	174.2	0	108.6	L464	L464-K466 PolarHBondContact O-N 2.86Å
467	S	83.4	Confident	88.9	Confident	59 Å²	59	78.9 Å²	78.9	41%	0.413	42%	0.415	S	S	.	.			trans	-143.7	144.1	177	-169.6	0	0	0	0	110.3	K465 K469	K465-S467 PolarHBondContact O-N 3.1Å; S467-K469 PolarHBondContact O-N 3.27Å; S467-K469 PolarHBondContact OG-N 2.8Å
468	D	80.6	Confident	89	Confident	180 Å²	180	77.9 Å²	77.9	96%	0.963	41%	0.408	S	S	*	.	S	Bend	trans	-68.7	-15.9	175.3	-55.3	-40.4	0	0	0	112.3
469	K	83.1	Confident	89.2	Confident	167 Å²	167	76 Å²	76	73%	0.726	40%	0.399	S	S	*	.	S	Bend	trans	-100.7	140.9	176.4	-64.4	-179	-178.1	178.6	0	110.6	S467 L471	S467-K469 PolarHBondContact O-N 3.27Å; S467-K469 PolarHBondContact OG-N 2.8Å; K469-L471 PolarHBondContact O-N 2.89Å
470	A	81.6	Confident	89.4	Confident	101 Å²	101	70.6 Å²	70.6	84%	0.835	37%	0.374	S	S	*	.			trans	-67.1	99.8	170.8	0	0	0	0	0	110
471	L	86.9	Confident	89.6	Confident	55 Å²	55	70.6 Å²	70.6	29%	0.288	37%	0.374	S	S	.	.			trans	-76.1	143	175.1	-62	171.1	0	0	0	109.6	K465 K469 D475 R476	K465-L471 HydrophobicContact CB-CD1 4.27Å; K465-L471 HydrophobicContact CD-CD1 3.85Å; K465-L471 HydrophobicContact CG-CD1 4.07Å; K469-L471 PolarHBondContact O-N 2.89Å; L471-D475 WeakPolarHBondContact CD1-O 3.17Å; L471-R476 HydrophobicContact CB-CG 3.96Å; L471-R476 VanDerWaalsContact O-CD 3.27Å; L471-R476 WeakPolarHBondContact O-CD 3.4Å; L471-R476 WeakPolarHBondContact O-CG 3.37Å
472	V	84.4	Confident	89.6	Confident	125 Å²	125	70.8 Å²	70.8	76%	0.758	38%	0.375	S	S	*	.			trans	-123.6	146.5	-179.1	-176.2	0	0	0	0	109.2
473	G	87.9	Confident	89.7	Confident	33 Å²	33	71.7 Å²	71.7	34%	0.34	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	76.6	-136.5	178.1	0	0	0	0	0	113.3	R476	G473-R476 PolarHBondContact O-NE 2.99Å
474	N	90.1	Very high	89.8	Confident	45 Å²	45	70.3 Å²	70.3	24%	0.241	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-73.8	-29.1	-173.2	-64.9	-20.5	0	0	0	113.3	R476 F477 Y496 I498	N474-R476 PolarHBondContact O-N 2.89Å; N474-R476 VanDerWaalsContact O-N 3.08Å; N474-F477 PolarHBondContact O-N 3.01Å; N474-Y496 HydrophobicContact CB-CE2 4.39Å; N474-Y496 PolarHBondContact ND2-O 2.89Å; N474-I498 HydrophobicContact CB-CD1 4.09Å; N474-I498 PolarHBondContact OD1-N 3.09Å
475	D	88.1	Confident	89.9	Confident	99 Å²	99	65.6 Å²	65.6	53%	0.529	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-69.5	-8.3	-175.3	-67.2	-32.8	0	0	0	113.9	L471 F477	L471-D475 WeakPolarHBondContact CD1-O 3.17Å; D475-F477 PolarHBondContact O-N 2.92Å
476	R	91.3	Very high	90.1	Very high	112 Å²	112	64.9 Å²	64.9	42%	0.423	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-66.1	-21.5	173.9	-66.4	-177	-64.2	170.2	3	113.2	K465 L471 G473 N474	K465-R476 PolarHBondContact N-O 3.07Å; L471-R476 HydrophobicContact CB-CG 3.96Å; L471-R476 VanDerWaalsContact O-CD 3.27Å; L471-R476 WeakPolarHBondContact O-CD 3.4Å; L471-R476 WeakPolarHBondContact O-CG 3.37Å; G473-R476 PolarHBondContact O-NE 2.99Å; N474-R476 PolarHBondContact O-N 2.89Å; N474-R476 VanDerWaalsContact O-N 3.08Å
477	F	93.6	Very high	90.4	Very high	8 Å²	8	57.8 Å²	57.8	4%	0.035	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	144.2	-174.6	-55.3	-71.9	0	0	0	111.2	L457 V462 M463 L464 N474 D475 I482 I498 L500	L457-F477 HydrophobicContact CD2-CD1 4.22Å; L457-F477 HydrophobicContact CD2-CE1 4.06Å; V462-F477 HydrophobicContact CG1-CB 4.28Å; V462-F477 HydrophobicContact CG1-CD1 4.08Å; V462-F477 HydrophobicContact CG1-CG 4.41Å; M463-F477 CarbonylContact O-C 3.49Å; M463-F477 WeakPolarHBondContact O-CA 3.46Å; L464-F477 HydrophobicContact CD2-CD1 3.9Å; L464-F477 HydrophobicContact CD2-CE1 3.6Å; N474-F477 PolarHBondContact O-N 3.01Å; D475-F477 PolarHBondContact O-N 2.92Å; F477-I482 HydrophobicContact CB-CD1 3.98Å; F477-I482 HydrophobicContact CB-CG1 4.04Å; F477-I498 HydrophobicContact CD2-CB 4.13Å; F477-I498 HydrophobicContact CD2-CD1 4.23Å; F477-I498 HydrophobicContact CD2-CG2 3.75Å; F477-I498 HydrophobicContact CE2-CB 4.26Å; F477-I498 HydrophobicContact CE2-CG2 3.83Å; F477-I498 HydrophobicContact CG-CG2 4.49Å; F477-L500 HydrophobicContact CE1-CD1 3.91Å; F477-L500 HydrophobicContact CE1-CD2 3.87Å; F477-L500 HydrophobicContact CE1-CG 4.01Å; F477-L500 HydrophobicContact CZ-CD1 3.92Å; F477-L500 HydrophobicContact CZ-CD2 4.06Å; F477-L500 HydrophobicContact CZ-CG 3.8Å
478	E	94.1	Very high	90.8	Very high	62 Å²	62	55.1 Å²	55.1	29%	0.29	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157.1	171.4	68.9	-174.4	176	0	0	109.9	M463 K465 W815	M463-E478 HydrophobicContact CB-CG 4.33Å; M463-E478 PolarHBondContact N-O 3.45Å; M463-E478 PolarHBondContact O-N 3.01Å; K465-E478 HydrophobicContact CB-CB 4.31Å; K465-E478 HydrophobicContact CB-CG 4.07Å; K465-E478 WeakPolarHBondContact CG-OE2 3.42Å; E478-W815 HydrophobicContact CB-CH2 4.08Å; E478-W815 HydrophobicContact CG-CH2 4.29Å
479	G	94.4	Very high	91.4	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	144.3	174.9	179.5	0	0	0	0	0	112.8	P460 Y461 C481 I482 D483 W815	P460-G479 VanDerWaalsContact O-CA 3.31Å; P460-G479 WeakPolarHBondContact O-CA 3.14Å; Y461-G479 CarbonylContact O-C 3.56Å; Y461-G479 VanDerWaalsContact O-C 3.24Å; Y461-G479 VanDerWaalsContact O-CA 3.29Å; Y461-G479 WeakPolarHBondContact O-CA 3.27Å; G479-C481 PolarHBondContact O-N 3.37Å; G479-I482 PolarHBondContact O-N 2.99Å; G479-I482 VanDerWaalsContact O-N 3.16Å; G479-D483 PolarHBondContact O-N 2.76Å; G479-W815 VanDerWaalsContact C-CZ2 3.42Å; G479-W815 VanDerWaalsContact CA-CZ2 3.41Å; G479-W815 VanDerWaalsContact N-CZ2 3.33Å; G479-W815 WeakPolarHBondContact O-CZ2 3.42Å
480	F	95.5	Very high	91.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.9	-45.3	-178.5	176.5	-89.7	0	0	0	112.8	P460 Y461 I482 D483 L484 F550 M551 L808 L811 K812 W815 W816	P460-F480 PolarHBondContact O-N 3.15Å; Y461-F480 HydrophobicContact CD1-CD1 4.24Å; Y461-F480 PolarHBondContact O-N 3.08Å; Y461-F480 VanDerWaalsContact O-N 3.12Å; F480-I482 VanDerWaalsContact C-N 3.28Å; F480-I482 PolarHBondContact O-N 2.76Å; F480-D483 PolarHBondContact O-N 2.86Å; F480-L484 HydrophobicContact CE1-CD2 4.26Å; F480-L484 WeakPolarHBondContact O-CB 3.2Å; F480-L484 PolarHBondContact O-N 3.32Å; F480-F550 AromaticContact CE1-CD2 3.93Å; F480-F550 HydrophobicContact CE1-CD2 3.93Å; F480-F550 AromaticContact CE1-CE2 3.68Å; F480-F550 HydrophobicContact CE1-CE2 3.68Å; F480-F550 HydrophobicContact CZ-CD2 4.43Å; F480-M551 HydrophobicContact CE1-CE 3.9Å; F480-M551 HydrophobicContact CE2-CE 3.96Å; F480-M551 HydrophobicContact CZ-CE 3.56Å; F480-L808 HydrophobicContact CZ-CD2 3.72Å; F480-L811 HydrophobicContact CD2-CB 3.96Å; F480-L811 HydrophobicContact CE2-CB 3.64Å; F480-K812 HydrophobicContact CE2-CB 4.36Å; F480-W815 VanDerWaalsContact CA-CD1 3.49Å; F480-W815 HydrophobicContact CB-CB 4.18Å; F480-W815 HydrophobicContact CB-CG 3.92Å; F480-W815 AromaticContact CD2-CD1 3.99Å; F480-W816 HydrophobicContact CB-CH2 4.44Å; F480-W816 HydrophobicContact CB-CZ3 3.94Å; F480-W816 AromaticContact CD2-CZ3 3.71Å; F480-W816 HydrophobicContact CD2-CZ3 3.71Å; F480-W816 HydrophobicContact CE2-CZ3 4.37Å; F480-W816 HydrophobicContact CG-CH2 4.33Å; F480-W816 AromaticContact CG-CZ3 3.81Å; F480-W816 HydrophobicContact CG-CZ3 3.81Å
481	C	95.6	Very high	92	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.007	23%	0.227	C	C	.	.	H	α-helix	trans	-68.8	-29.2	-179.9	-75.2	0	0	0	0	112.1	Y461 V462 G479 L485 V531	Y461-C481 WeakPolarHBondContact O-CB 3.46Å; Y461-C481 PolarHBondContact O-N 2.6Å; V462-C481 HydrophobicContact CG2-CB 3.84Å; G479-C481 PolarHBondContact O-N 3.37Å; C481-L485 WeakPolarHBondContact O-CB 3.39Å; C481-L485 PolarHBondContact O-N 2.84Å; C481-V531 HydrophobicContact CB-CG1 4.13Å
482	I	95.7	Very high	92	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-72	-43.5	177.1	-55.9	-51.8	0	0	0	110.9	V462 F477 G479 F480 L485 K486 I498	V462-I482 HydrophobicContact CG1-CD1 4.12Å; V462-I482 HydrophobicContact CG1-CG1 4.38Å; V462-I482 HydrophobicContact CG2-CD1 4.03Å; V462-I482 HydrophobicContact CG2-CG1 4.32Å; F477-I482 HydrophobicContact CB-CD1 3.98Å; F477-I482 HydrophobicContact CB-CG1 4.04Å; G479-I482 PolarHBondContact O-N 2.99Å; G479-I482 VanDerWaalsContact O-N 3.16Å; F480-I482 VanDerWaalsContact C-N 3.28Å; F480-I482 PolarHBondContact O-N 2.76Å; I482-L485 PolarHBondContact O-N 2.88Å; I482-K486 WeakPolarHBondContact O-CG 3.14Å; I482-K486 PolarHBondContact O-N 3.21Å; I482-I498 HydrophobicContact CD1-CD1 3.81Å
483	D	95.4	Very high	92	Very high	21 Å²	21	37.8 Å²	37.8	11%	0.112	19%	0.193	C	C	.	.	H	α-helix	trans	-67.6	-42.8	176.2	-75.3	-8.8	0	0	0	111.5	G479 F480 L485 K486 E487 L811 K814 W815	G479-D483 PolarHBondContact O-N 2.76Å; F480-D483 PolarHBondContact O-N 2.86Å; D483-L485 VanDerWaalsContact C-N 3.27Å; D483-L485 PolarHBondContact O-N 3.23Å; D483-K486 WeakPolarHBondContact O-CB 3.21Å; D483-K486 PolarHBondContact O-N 3.45Å; D483-E487 PolarHBondContact O-N 2.86Å; D483-E487 VanDerWaalsContact O-N 3.09Å; D483-L811 HydrophobicContact CB-CD2 3.79Å; D483-K814 IonicContact OD2-NZ 3.45Å; D483-K814 PolarHBondContact OD2-NZ 3.22Å; D483-W815 VanDerWaalsContact OD2-CZ2 3.3Å; D483-W815 WeakPolarHBondContact OD2-CZ2 3.42Å; D483-W815 PolarHBondContact OD2-NE1 3.46Å
484	L	95.1	Very high	92	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.1	-43.5	173.3	176.7	61.1	0	0	0	111.5	F480 E487 L488 F550 I802 L808	F480-L484 HydrophobicContact CE1-CD2 4.26Å; F480-L484 WeakPolarHBondContact O-CB 3.2Å; F480-L484 PolarHBondContact O-N 3.32Å; L484-E487 PolarHBondContact O-N 3.3Å; L484-L488 HydrophobicContact CD1-CD1 4.5Å; L484-L488 HydrophobicContact CD1-CG 4.49Å; L484-L488 HydrophobicContact CG-CD1 4.23Å; L484-L488 WeakPolarHBondContact O-CG 3.41Å; L484-L488 PolarHBondContact O-N 2.89Å; L484-F550 HydrophobicContact CD2-CB 4.41Å; L484-F550 HydrophobicContact CD2-CD1 4.27Å; L484-F550 HydrophobicContact CD2-CD2 3.95Å; L484-F550 HydrophobicContact CD2-CE2 4.29Å; L484-F550 HydrophobicContact CD2-CG 3.95Å; L484-I802 HydrophobicContact CD1-CD1 4.1Å; L484-L808 HydrophobicContact CD1-CD2 3.98Å
485	L	94.8	Very high	92	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-41.1	177.5	172.1	58.6	0	0	0	112.5	I453 C481 I482 D483 E487 L488 A489 F494 Y496 I498 V531	I453-L485 HydrophobicContact CD1-CD1 3.22Å; I453-L485 HydrophobicContact CD1-CD2 3.36Å; I453-L485 HydrophobicContact CD1-CG 3.85Å; I453-L485 HydrophobicContact CG2-CD2 4.31Å; C481-L485 WeakPolarHBondContact O-CB 3.39Å; C481-L485 PolarHBondContact O-N 2.84Å; I482-L485 PolarHBondContact O-N 2.88Å; D483-L485 VanDerWaalsContact C-N 3.27Å; D483-L485 PolarHBondContact O-N 3.23Å; L485-E487 VanDerWaalsContact C-N 3.31Å; L485-E487 PolarHBondContact O-N 3.21Å; L485-L488 PolarHBondContact O-N 2.85Å; L485-A489 WeakPolarHBondContact O-CB 3.2Å; L485-A489 PolarHBondContact O-N 3.36Å; L485-F494 HydrophobicContact CD1-CE2 3.95Å; L485-F494 HydrophobicContact CD1-CZ 3.97Å; L485-Y496 HydrophobicContact CD1-CD1 4.37Å; L485-Y496 HydrophobicContact CD1-CG 4.46Å; L485-Y496 HydrophobicContact CD2-CD2 3.73Å; L485-Y496 HydrophobicContact CD2-CE2 3.6Å; L485-Y496 HydrophobicContact CD2-CG 4.29Å; L485-Y496 HydrophobicContact CG-CD1 4.37Å; L485-Y496 HydrophobicContact CG-CD2 4.28Å; L485-Y496 HydrophobicContact CG-CE1 4.15Å; L485-Y496 HydrophobicContact CG-CE2 4.05Å; L485-Y496 HydrophobicContact CG-CG 4.44Å; L485-I498 HydrophobicContact CD2-CD1 4.32Å; L485-I498 HydrophobicContact CD2-CG1 4.18Å; L485-V531 HydrophobicContact CB-CG1 4.49Å; L485-V531 HydrophobicContact CD1-CG2 4.44Å
486	K	94.2	Very high	92.2	Very high	86 Å²	86	35.3 Å²	35.3	37%	0.374	17%	0.173	S	C	.	.	H	α-helix	trans	-59.9	-41.7	175.1	-75.7	170.3	-177.8	171.9	0	111.8	I482 D483 A489 K490 Y496	I482-K486 WeakPolarHBondContact O-CG 3.14Å; I482-K486 PolarHBondContact O-N 3.21Å; D483-K486 WeakPolarHBondContact O-CB 3.21Å; D483-K486 PolarHBondContact O-N 3.45Å; K486-A489 PolarHBondContact O-N 3.39Å; K486-K490 WeakPolarHBondContact O-CB 3.48Å; K486-K490 PolarHBondContact O-N 3.04Å; K486-Y496 WeakPolarHBondContact CG-OH 3.41Å
487	E	92.9	Very high	92.3	Very high	51 Å²	51	33.8 Å²	33.8	24%	0.238	17%	0.17	C	C	.	.	H	α-helix	trans	-68.1	-41.6	176.9	-66.3	-59.1	150.1	0	0	112	D483 L484 L485 A489 K490 I491 I802 L807	D483-E487 PolarHBondContact O-N 2.86Å; D483-E487 VanDerWaalsContact O-N 3.09Å; L484-E487 PolarHBondContact O-N 3.3Å; L485-E487 VanDerWaalsContact C-N 3.31Å; L485-E487 PolarHBondContact O-N 3.21Å; E487-A489 VanDerWaalsContact C-N 3.33Å; E487-A489 PolarHBondContact O-N 2.95Å; E487-K490 PolarHBondContact O-N 3.42Å; E487-K490 IonicContact OE2-NZ 3.19Å; E487-I491 WeakPolarHBondContact O-CG1 3.32Å; E487-I491 PolarHBondContact O-N 3.45Å; E487-I802 HydrophobicContact CB-CD1 4.21Å; E487-L807 HydrophobicContact CB-CD2 4.22Å; E487-L807 HydrophobicContact CG-CD2 3.73Å
488	L	92.3	Very high	92.3	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-60.4	-43.5	173.6	-72	171.7	0	0	0	112	L484 L485 K490 I491 L492 F494 I783 A798 I799 I802	L484-L488 HydrophobicContact CD1-CD1 4.5Å; L484-L488 HydrophobicContact CD1-CG 4.49Å; L484-L488 HydrophobicContact CG-CD1 4.23Å; L484-L488 WeakPolarHBondContact O-CG 3.41Å; L484-L488 PolarHBondContact O-N 2.89Å; L485-L488 PolarHBondContact O-N 2.85Å; L488-K490 VanDerWaalsContact C-N 3.33Å; L488-I491 PolarHBondContact O-N 2.98Å; L488-L492 VanDerWaalsContact O-CB 3.31Å; L488-L492 WeakPolarHBondContact O-CB 3.32Å; L488-L492 PolarHBondContact O-N 2.89Å; L488-F494 HydrophobicContact CB-CE1 4.37Å; L488-F494 HydrophobicContact CB-CZ 4.23Å; L488-F494 WeakPolarHBondContact O-CE1 3.27Å; L488-I783 HydrophobicContact CD1-CD1 3.45Å; L488-I783 VanDerWaalsContact CD1-CD1 3.45Å; L488-A798 HydrophobicContact CD2-CB 3.68Å; L488-I799 HydrophobicContact CD2-CG1 4.16Å; L488-I802 HydrophobicContact CD2-CD1 3.71Å; L488-I802 HydrophobicContact CG-CD1 4.07Å
489	A	91.7	Very high	92.3	Very high	10 Å²	10	36.1 Å²	36.1	8%	0.083	18%	0.176	C	C	.	.	H	α-helix	trans	-63.9	-38	176.6	0	0	0	0	0	112.2	L485 K486 E487 G493 F494 Y496	L485-A489 WeakPolarHBondContact O-CB 3.2Å; L485-A489 PolarHBondContact O-N 3.36Å; K486-A489 PolarHBondContact O-N 3.39Å; E487-A489 VanDerWaalsContact C-N 3.33Å; E487-A489 PolarHBondContact O-N 2.95Å; A489-G493 CarbonylContact O-C 3.53Å; A489-G493 WeakPolarHBondContact O-CA 3.37Å; A489-G493 PolarHBondContact O-N 3.13Å; A489-F494 HydrophobicContact CB-CD2 4.27Å; A489-F494 HydrophobicContact CB-CE1 4.27Å; A489-F494 HydrophobicContact CB-CE2 3.93Å; A489-F494 HydrophobicContact CB-CZ 3.93Å; A489-F494 WeakPolarHBondContact CB-O 3.48Å; A489-F494 PolarHBondContact O-N 3.47Å; A489-Y496 HydrophobicContact CB-CD1 3.75Å; A489-Y496 HydrophobicContact CB-CE1 3.54Å
490	K	90.1	Very high	92.2	Very high	157 Å²	157	39.5 Å²	39.5	68%	0.683	19%	0.194	S	C	*	.	H	α-helix	trans	-66.9	-40.9	176.6	-177.7	-176.7	172.6	-167.3	0	112.6	K486 E487 L488	K486-K490 WeakPolarHBondContact O-CB 3.48Å; K486-K490 PolarHBondContact O-N 3.04Å; E487-K490 PolarHBondContact O-N 3.42Å; E487-K490 IonicContact OE2-NZ 3.19Å; L488-K490 VanDerWaalsContact C-N 3.33Å
491	I	87.9	Confident	92.2	Very high	59 Å²	59	40 Å²	40	30%	0.303	20%	0.197	S	C	.	.	H	α-helix	trans	-72.6	-44.9	179.4	-66.7	168.4	0	0	0	111.1	I442 E487 L488 A798 I802	I442-I491 HydrophobicContact CG2-CG2 4.44Å; E487-I491 WeakPolarHBondContact O-CG1 3.32Å; E487-I491 PolarHBondContact O-N 3.45Å; L488-I491 PolarHBondContact O-N 2.98Å; I491-A798 HydrophobicContact CG2-CB 4.32Å; I491-I802 HydrophobicContact CD1-CD1 3.91Å; I491-I802 HydrophobicContact CD1-CG1 3.59Å
492	L	87	Confident	91.9	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-92.9	-9.3	-173.3	-65.6	175	0	0	0	114	S445 L446 L488 F494 K794 I795 A798	S445-L492 PolarHBondContact OG-O 3.21Å; L446-L492 HydrophobicContact CD1-CB 4.25Å; L446-L492 HydrophobicContact CD1-CD1 4.43Å; L446-L492 PolarHBondContact N-O 2.93Å; L488-L492 VanDerWaalsContact O-CB 3.31Å; L488-L492 WeakPolarHBondContact O-CB 3.32Å; L488-L492 PolarHBondContact O-N 2.89Å; L492-F494 HydrophobicContact CB-CD1 3.66Å; L492-F494 HydrophobicContact CB-CE1 3.86Å; L492-F494 HydrophobicContact CD1-CD1 4.41Å; L492-F494 HydrophobicContact CD1-CE1 3.96Å; L492-F494 HydrophobicContact CG-CE1 4.48Å; L492-F494 PolarHBondContact O-N 3.35Å; L492-K794 HydrophobicContact CD2-CB 4.25Å; L492-I795 HydrophobicContact CD1-CG1 4.02Å; L492-A798 HydrophobicContact CD1-CB 4.01Å; L492-A798 HydrophobicContact CD2-CB 4.21Å; L492-A798 HydrophobicContact CG-CB 4.08Å
493	G	84.7	Confident	91.6	Very high	29 Å²	29	48.5 Å²	48.5	30%	0.299	25%	0.248	S	C	.	.			trans	80.8	-2.3	175.9	0	0	0	0	0	116.6	S447 A489	S447-G493 VanDerWaalsContact CA-O 3.23Å; S447-G493 WeakPolarHBondContact CA-O 3.43Å; A489-G493 CarbonylContact O-C 3.53Å; A489-G493 WeakPolarHBondContact O-CA 3.37Å; A489-G493 PolarHBondContact O-N 3.13Å
494	F	87.9	Confident	91.2	Very high	10 Å²	10	49.6 Å²	49.6	4%	0.044	27%	0.265	C	S	.	.			trans	-76.7	149.1	-172.9	63.4	-88.4	0	0	0	114.2	L446 L451 I453 L485 L488 A489 L492 Y496	L446-F494 HydrophobicContact CB-CB 3.68Å; L446-F494 HydrophobicContact CB-CD1 4.41Å; L446-F494 HydrophobicContact CD1-CD1 4.04Å; L446-F494 WeakPolarHBondContact O-CA 3.48Å; L451-F494 HydrophobicContact CB-CD2 4.35Å; L451-F494 HydrophobicContact CD1-CB 4.28Å; L451-F494 HydrophobicContact CD1-CD1 4.36Å; L451-F494 HydrophobicContact CD1-CD2 3.73Å; L451-F494 HydrophobicContact CD1-CE2 4.12Å; L451-F494 HydrophobicContact CD1-CG 3.87Å; L451-F494 HydrophobicContact CG-CB 4.44Å; L451-F494 HydrophobicContact CG-CD2 4.12Å; L451-F494 HydrophobicContact CG-CG 4.41Å; I453-F494 HydrophobicContact CD1-CE2 4.43Å; L485-F494 HydrophobicContact CD1-CE2 3.95Å; L485-F494 HydrophobicContact CD1-CZ 3.97Å; L488-F494 HydrophobicContact CB-CE1 4.37Å; L488-F494 HydrophobicContact CB-CZ 4.23Å; L488-F494 WeakPolarHBondContact O-CE1 3.27Å; A489-F494 HydrophobicContact CB-CD2 4.27Å; A489-F494 HydrophobicContact CB-CE1 4.27Å; A489-F494 HydrophobicContact CB-CE2 3.93Å; A489-F494 HydrophobicContact CB-CZ 3.93Å; A489-F494 WeakPolarHBondContact CB-O 3.48Å; A489-F494 PolarHBondContact O-N 3.47Å; L492-F494 HydrophobicContact CB-CD1 3.66Å; L492-F494 HydrophobicContact CB-CE1 3.86Å; L492-F494 HydrophobicContact CD1-CD1 4.41Å; L492-F494 HydrophobicContact CD1-CE1 3.96Å; L492-F494 HydrophobicContact CG-CE1 4.48Å; L492-F494 PolarHBondContact O-N 3.35Å; F494-Y496 HydrophobicContact CD2-CD1 4.16Å; F494-Y496 AromaticContact CE2-CD1 3.9Å; F494-Y496 HydrophobicContact CE2-CD1 3.9Å; F494-Y496 HydrophobicContact CE2-CG 4.34Å
495	T	89.8	Confident	90.9	Very high	79 Å²	79	53.5 Å²	53.5	49%	0.485	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	157.6	162.8	57.7	0	0	0	0	109.6	R449 S450 L451	R449-T495 VanDerWaalsContact C-OG1 3.24Å; R449-T495 WeakPolarHBondContact O-CA 3.34Å; R449-T495 PolarHBondContact O-N 3.35Å; R449-T495 VanDerWaalsContact O-O 3.07Å; R449-T495 PolarHBondContact O-OG1 2.9Å; S450-T495 CarbonylContact C-O 3.55Å; S450-T495 VanDerWaalsContact CA-O 3.24Å; S450-T495 WeakPolarHBondContact CA-O 3.38Å; S450-T495 WeakPolarHBondContact CA-OG1 3.26Å; S450-T495 WeakPolarHBondContact CB-OG1 3.45Å; S450-T495 PolarHBondContact N-OG1 2.92Å; L451-T495 PolarHBondContact N-O 2.85Å
496	Y	92.1	Very high	90.5	Very high	37 Å²	37	55.8 Å²	55.8	15%	0.145	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	158.4	-178.4	59	-92.9	0	0	0	113	L451 I453 N474 L485 K486 A489 F494 I498	L451-Y496 CarbonylContact O-C 3.55Å; L451-Y496 WeakPolarHBondContact O-CA 3.4Å; L451-Y496 WeakPolarHBondContact O-CB 3.08Å; I453-Y496 VanDerWaalsContact CD1-CB 3.41Å; I453-Y496 HydrophobicContact CD1-CD2 3.9Å; I453-Y496 HydrophobicContact CD1-CG 3.73Å; N474-Y496 HydrophobicContact CB-CE2 4.39Å; N474-Y496 PolarHBondContact ND2-O 2.89Å; L485-Y496 HydrophobicContact CD1-CD1 4.37Å; L485-Y496 HydrophobicContact CD1-CG 4.46Å; L485-Y496 HydrophobicContact CD2-CD2 3.73Å; L485-Y496 HydrophobicContact CD2-CE2 3.6Å; L485-Y496 HydrophobicContact CD2-CG 4.29Å; L485-Y496 HydrophobicContact CG-CD1 4.37Å; L485-Y496 HydrophobicContact CG-CD2 4.28Å; L485-Y496 HydrophobicContact CG-CE1 4.15Å; L485-Y496 HydrophobicContact CG-CE2 4.05Å; L485-Y496 HydrophobicContact CG-CG 4.44Å; K486-Y496 WeakPolarHBondContact CG-OH 3.41Å; A489-Y496 HydrophobicContact CB-CD1 3.75Å; A489-Y496 HydrophobicContact CB-CE1 3.54Å; F494-Y496 HydrophobicContact CD2-CD1 4.16Å; F494-Y496 AromaticContact CE2-CD1 3.9Å; F494-Y496 HydrophobicContact CE2-CD1 3.9Å; F494-Y496 HydrophobicContact CE2-CG 4.34Å; Y496-I498 HydrophobicContact CD2-CD1 4.45Å; Y496-I498 HydrophobicContact CD2-CG1 3.97Å; Y496-I498 HydrophobicContact CE2-CD1 3.97Å; Y496-I498 HydrophobicContact CE2-CG1 4Å
497	E	93.1	Very high	90.3	Very high	79 Å²	79	52 Å²	52	37%	0.369	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.3	172.4	-170.8	-163.7	148.7	0	0	109.3	L451 I453 R499	L451-E497 PolarHBondContact O-N 2.75Å; I453-E497 PolarHBondContact N-O 3.21Å; E497-R499 IonicContact OE1-CZ 3.15Å; E497-R499 IonicContact OE1-NE 3.4Å; E497-R499 PolarHBondContact OE1-NE 3Å; E497-R499 IonicContact OE1-NH2 2.8Å; E497-R499 PolarHBondContact OE1-NH2 2.71Å; E497-R499 VanDerWaalsContact OE1-NH2 3.13Å; E497-R499 IonicContact OE2-CZ 3.77Å; E497-R499 IonicContact OE2-NE 2.77Å; E497-R499 IonicContact OE2-NH2 2.67Å; E497-R499 PolarHBondContact OE2-NH2 2.98Å
498	I	94.2	Very high	89.9	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.3	177.8	-58.9	165.6	0	0	0	109.8	T455 N474 F477 I482 L485 Y496	T455-I498 HydrophobicContact CG2-CG2 3.73Å; N474-I498 HydrophobicContact CB-CD1 4.09Å; N474-I498 PolarHBondContact OD1-N 3.09Å; F477-I498 HydrophobicContact CD2-CB 4.13Å; F477-I498 HydrophobicContact CD2-CD1 4.23Å; F477-I498 HydrophobicContact CD2-CG2 3.75Å; F477-I498 HydrophobicContact CE2-CB 4.26Å; F477-I498 HydrophobicContact CE2-CG2 3.83Å; F477-I498 HydrophobicContact CG-CG2 4.49Å; I482-I498 HydrophobicContact CD1-CD1 3.81Å; L485-I498 HydrophobicContact CD2-CD1 4.32Å; L485-I498 HydrophobicContact CD2-CG1 4.18Å; Y496-I498 HydrophobicContact CD2-CD1 4.45Å; Y496-I498 HydrophobicContact CD2-CG1 3.97Å; Y496-I498 HydrophobicContact CE2-CD1 3.97Å; Y496-I498 HydrophobicContact CE2-CG1 4Å
499	R	93.4	Very high	89.6	Confident	115 Å²	115	55.2 Å²	55.2	43%	0.434	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.2	172.7	-64.9	-169.9	-179.7	162.6	6.5	110.6	V452 I453 T454 T455 E497	V452-R499 HydrophobicContact CG1-CG 4.16Å; I453-R499 PolarHBondContact O-N 2.81Å; T454-R499 WeakPolarHBondContact CA-O 3.29Å; T455-R499 PolarHBondContact N-O 3.18Å; E497-R499 IonicContact OE1-CZ 3.15Å; E497-R499 IonicContact OE1-NE 3.4Å; E497-R499 PolarHBondContact OE1-NE 3Å; E497-R499 IonicContact OE1-NH2 2.8Å; E497-R499 PolarHBondContact OE1-NH2 2.71Å; E497-R499 VanDerWaalsContact OE1-NH2 3.13Å; E497-R499 IonicContact OE2-CZ 3.77Å; E497-R499 IonicContact OE2-NE 2.77Å; E497-R499 IonicContact OE2-NH2 2.67Å; E497-R499 PolarHBondContact OE2-NH2 2.98Å
500	L	93.5	Very high	89.2	Confident	70 Å²	70	59 Å²	59	37%	0.366	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	137.7	172.3	-66.2	176.6	0	0	0	109.5	T455 L457 F477	T455-L500 HydrophobicContact CG2-CD2 4Å; T455-L500 WeakPolarHBondContact O-CA 3.48Å; L457-L500 HydrophobicContact CD1-CD1 4.19Å; L457-L500 HydrophobicContact CD2-CD1 4.41Å; L457-L500 HydrophobicContact CD2-CD2 3.93Å; L457-L500 HydrophobicContact CG-CD1 4.21Å; L457-L500 HydrophobicContact CG-CD2 3.94Å; F477-L500 HydrophobicContact CE1-CD1 3.91Å; F477-L500 HydrophobicContact CE1-CD2 3.87Å; F477-L500 HydrophobicContact CE1-CG 4.01Å; F477-L500 HydrophobicContact CZ-CD1 3.92Å; F477-L500 HydrophobicContact CZ-CD2 4.06Å; F477-L500 HydrophobicContact CZ-CG 3.8Å
501	V	94.4	Very high	88.7	Confident	10 Å²	10	59.6 Å²	59.6	6%	0.061	32%	0.323	C	S	.	.			trans	-61.5	126.6	173.5	67.6	0	0	0	0	110	T455 I456 D503 G504 M518	T455-V501 PolarHBondContact O-N 3.1Å; I456-V501 HydrophobicContact CB-CG1 4.21Å; I456-V501 HydrophobicContact CG1-CG1 4.38Å; V501-D503 VanDerWaalsContact C-N 3.32Å; V501-D503 WeakPolarHBondContact CG2-OD1 3.2Å; V501-D503 PolarHBondContact O-N 2.88Å; V501-G504 PolarHBondContact O-N 3.14Å; V501-M518 HydrophobicContact CB-CG 3.81Å; V501-M518 HydrophobicContact CG1-CG 4.1Å; V501-M518 HydrophobicContact CG2-CG 3.93Å
502	P	90.4	Very high	88.5	Confident	109 Å²	109	66 Å²	66	71%	0.708	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-31.5	-172.1	-25.3	33.5	0	0	0	115	E521	P502-E521 WeakPolarHBondContact CD-OE1 3.48Å
503	D	87.9	Confident	88.2	Confident	76 Å²	76	67 Å²	67	41%	0.406	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-4.5	-177.6	64.3	5.5	0	0	0	113.4	V501 K505 G517	V501-D503 VanDerWaalsContact C-N 3.32Å; V501-D503 WeakPolarHBondContact CG2-OD1 3.2Å; V501-D503 PolarHBondContact O-N 2.88Å; D503-K505 PolarHBondContact O-N 2.78Å; D503-K505 PolarHBondContact OD1-N 3.43Å; D503-G517 WeakPolarHBondContact OD1-CA 3.42Å; D503-G517 VanDerWaalsContact OD2-CA 3.25Å; D503-G517 WeakPolarHBondContact OD2-CA 3.47Å; D503-G517 PolarHBondContact OD2-N 3.33Å
504	G	87.8	Confident	88.4	Confident	45 Å²	45	71.4 Å²	71.4	46%	0.464	37%	0.374	S	S	.	.			trans	62.3	24.8	-178.2	0	0	0	0	0	114.1	I456 V501	I456-G504 WeakPolarHBondContact CD1-O 3.12Å; V501-G504 PolarHBondContact O-N 3.14Å
505	K	88.6	Confident	88.5	Confident	81 Å²	81	71.9 Å²	71.9	35%	0.352	38%	0.376	S	S	.	.			trans	-118.2	148.6	-178.3	-65.1	-168.2	-179.3	-162.7	0	112.6	D503 G517 M518 D704	D503-K505 PolarHBondContact O-N 2.78Å; D503-K505 PolarHBondContact OD1-N 3.43Å; K505-G517 WeakPolarHBondContact O-CA 3.31Å; K505-M518 PolarHBondContact O-N 3.35Å; K505-D704 IonicContact NZ-OD2 3.39Å; K505-D704 PolarHBondContact NZ-OD2 2.9Å
506	Y	87.8	Confident	88.5	Confident	52 Å²	52	69.2 Å²	69.2	20%	0.204	36%	0.358	C	S	.	.			trans	-61.1	-46.3	172.1	-77	-72.5	0	0	0	112.9	I456 E458 M518 I519 P533 L534	I456-Y506 HydrophobicContact CD1-CE2 4.22Å; I456-Y506 HydrophobicContact CG2-CE1 3.78Å; I456-Y506 VanDerWaalsContact CG2-OH 3.31Å; I456-Y506 WeakPolarHBondContact CG2-OH 3.24Å; E458-Y506 PolarHBondContact OE2-OH 3.39Å; Y506-M518 HydrophobicContact CD1-CE 3.32Å; Y506-M518 HydrophobicContact CE1-CE 3.64Å; Y506-M518 HydrophobicContact CG-CE 4.2Å; Y506-M518 PolarHBondContact O-N 3.44Å; Y506-I519 PolarHBondContact O-N 3.22Å; Y506-P533 HydrophobicContact CE1-CG 4.37Å; Y506-P533 WeakPolarHBondContact OH-CG 3.37Å; Y506-L534 HydrophobicContact CD1-CD1 3.82Å
507	G	88.1	Confident	88.5	Confident	5 Å²	5	67.6 Å²	67.6	5%	0.052	35%	0.353	C	S	.	.			trans	125.9	111.3	-173.2	0	0	0	0	0	111.3	N516 R540	G507-N516 WeakPolarHBondContact CA-O 3.41Å; G507-N516 WeakPolarHBondContact CA-OD1 3.29Å; G507-R540 PolarHBondContact O-NH2 2.84Å
508	S	85.2	Confident	88.5	Confident	29 Å²	29	63.8 Å²	63.8	20%	0.203	34%	0.335	C	S	.	.			trans	-124.4	159.5	173.4	61.9	0	0	0	0	109.9	N516	S508-N516 PolarHBondContact N-OD1 2.88Å; S508-N516 PolarHBondContact O-N 3.45Å; S508-N516 PolarHBondContact O-OD1 3.24Å; S508-N516 PolarHBondContact OG-ND2 2.88Å; S508-N516 PolarHBondContact OG-OD1 3.15Å
509	Q	85.6	Confident	88.5	Confident	94 Å²	94	63.6 Å²	63.6	44%	0.439	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-97.1	125.9	178.6	-167.1	177.8	22.8	0	0	109.4	G513 Q514 W515	Q509-G513 VanDerWaalsContact NE2-CA 3.26Å; Q509-G513 PolarHBondContact NE2-O 3.48Å; Q509-Q514 WeakPolarHBondContact CA-O 3.46Å; Q509-W515 HydrophobicContact CB-CD2 4.31Å; Q509-W515 HydrophobicContact CB-CE3 4.42Å; Q509-W515 HydrophobicContact CB-CH2 4.47Å; Q509-W515 HydrophobicContact CB-CZ2 4.34Å; Q509-W515 HydrophobicContact CB-CZ3 4.49Å
510	D	83.3	Confident	88.4	Confident	89 Å²	89	62.9 Å²	62.9	48%	0.476	33%	0.331	S	S	.	.			trans	-71.9	166.4	173	-69.1	-15.3	0	0	0	111	K512 G513 Q514	D510-K512 PolarHBondContact O-N 2.97Å; D510-G513 WeakPolarHBondContact O-CA 3.31Å; D510-G513 PolarHBondContact O-N 3.35Å; D510-Q514 PolarHBondContact N-O 2.66Å
511	D	80.9	Confident	88.3	Confident	171 Å²	171	60.5 Å²	60.5	91%	0.914	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.6	178.1	-62.4	-39.8	0	0	0	113.3	G513	D511-G513 VanDerWaalsContact C-N 3.27Å; D511-G513 PolarHBondContact O-N 3.17Å
512	K	82.4	Confident	88.2	Confident	193 Å²	193	60 Å²	60	84%	0.839	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	0.9	174.6	-62.9	-178	-178	178.7	0	113.8	D510 Q514	D510-K512 PolarHBondContact O-N 2.97Å; K512-Q514 VanDerWaalsContact C-N 3.35Å; K512-Q514 PolarHBondContact O-N 2.98Å
513	G	82.3	Confident	88	Confident	29 Å²	29	56 Å²	56	30%	0.299	29%	0.287	S	S	.	.	S	Bend	trans	81.7	5.2	179.9	0	0	0	0	0	115.7	Q509 D510 D511	Q509-G513 VanDerWaalsContact NE2-CA 3.26Å; Q509-G513 PolarHBondContact NE2-O 3.48Å; D510-G513 WeakPolarHBondContact O-CA 3.31Å; D510-G513 PolarHBondContact O-N 3.35Å; D511-G513 VanDerWaalsContact C-N 3.27Å; D511-G513 PolarHBondContact O-N 3.17Å
514	Q	87.1	Confident	87.8	Confident	121 Å²	121	56 Å²	56	57%	0.565	29%	0.285	S	S	*	.			trans	-81.6	145.4	178.7	-64.1	-63.3	-44.5	0	0	111.3	Q509 D510 K512	Q509-Q514 WeakPolarHBondContact CA-O 3.46Å; D510-Q514 PolarHBondContact N-O 2.66Å; K512-Q514 VanDerWaalsContact C-N 3.35Å; K512-Q514 PolarHBondContact O-N 2.98Å
515	W	89.9	Confident	87.5	Confident	21 Å²	21	56.2 Å²	56.2	8%	0.08	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-100.2	148.5	178.7	-72.3	91	0	0	0	111.6	Q509 I519 R520 M523 V539 R540 V543	Q509-W515 HydrophobicContact CB-CD2 4.31Å; Q509-W515 HydrophobicContact CB-CE3 4.42Å; Q509-W515 HydrophobicContact CB-CH2 4.47Å; Q509-W515 HydrophobicContact CB-CZ2 4.34Å; Q509-W515 HydrophobicContact CB-CZ3 4.49Å; W515-I519 HydrophobicContact CD2-CG2 3.9Å; W515-I519 HydrophobicContact CE3-CB 4.07Å; W515-I519 HydrophobicContact CE3-CG1 4.42Å; W515-I519 HydrophobicContact CE3-CG2 3.65Å; W515-I519 HydrophobicContact CG-CG2 4.31Å; W515-I519 HydrophobicContact CZ3-CG1 4.4Å; W515-I519 HydrophobicContact CZ3-CG2 4.09Å; W515-R520 HydrophobicContact CB-CB 4.42Å; W515-R520 VanDerWaalsContact O-CD 3.23Å; W515-R520 WeakPolarHBondContact O-CD 3.29Å; W515-R520 WeakPolarHBondContact O-CG 3.19Å; W515-M523 HydrophobicContact CB-SD 3.87Å; W515-M523 HydrophobicContact CD2-SD 4.47Å; W515-M523 HydrophobicContact CG-CE 4.31Å; W515-M523 HydrophobicContact CG-SD 3.71Å; W515-V539 HydrophobicContact CH2-CB 4.34Å; W515-V539 HydrophobicContact CH2-CG1 3.71Å; W515-V539 HydrophobicContact CZ2-CG1 3.7Å; W515-V539 WeakPolarHBondContact CZ2-O 3.18Å; W515-R540 HydrophobicContact CH2-CG 4.01Å; W515-R540 HydrophobicContact CZ3-CG 4.13Å; W515-V543 HydrophobicContact CD2-CG2 4.46Å; W515-V543 HydrophobicContact CH2-CG2 4.47Å; W515-V543 HydrophobicContact CZ2-CG1 4.37Å; W515-V543 HydrophobicContact CZ2-CG2 3.84Å
516	N	90.4	Very high	87.3	Confident	22 Å²	22	58.1 Å²	58.1	12%	0.118	28%	0.279	C	S	.	.			trans	-120.7	-172	170.7	61.5	27	0	0	0	111.1	G507 S508 R520	G507-N516 WeakPolarHBondContact CA-O 3.41Å; G507-N516 WeakPolarHBondContact CA-OD1 3.29Å; S508-N516 PolarHBondContact N-OD1 2.88Å; S508-N516 PolarHBondContact O-N 3.45Å; S508-N516 PolarHBondContact O-OD1 3.24Å; S508-N516 PolarHBondContact OG-ND2 2.88Å; S508-N516 PolarHBondContact OG-OD1 3.15Å; N516-R520 PolarHBondContact O-N 3.37Å
517	G	92.1	Very high	87.4	Confident	3 Å²	3	55.7 Å²	55.7	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	64.5	-159.6	173.3	0	0	0	0	0	115.5	D503 K505 I519 R520 E521	D503-G517 WeakPolarHBondContact OD1-CA 3.42Å; D503-G517 VanDerWaalsContact OD2-CA 3.25Å; D503-G517 WeakPolarHBondContact OD2-CA 3.47Å; D503-G517 PolarHBondContact OD2-N 3.33Å; K505-G517 WeakPolarHBondContact O-CA 3.31Å; G517-I519 PolarHBondContact O-N 2.77Å; G517-R520 WeakPolarHBondContact O-CB 3.41Å; G517-R520 PolarHBondContact O-N 3.3Å; G517-R520 VanDerWaalsContact O-N 3.07Å; G517-E521 PolarHBondContact O-N 3Å
518	M	94	Very high	87.5	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.4	-34.6	178.4	-64.7	-175.2	-76	0	0	112.5	T454 I456 V501 K505 Y506 R520 E521 L522 A532	T454-M518 HydrophobicContact CG2-CB 4.02Å; T454-M518 HydrophobicContact CG2-CG 4.07Å; T454-M518 HydrophobicContact CG2-SD 4.47Å; I456-M518 HydrophobicContact CB-CE 4.17Å; I456-M518 HydrophobicContact CB-SD 4.4Å; I456-M518 HydrophobicContact CG2-CE 3.81Å; I456-M518 HydrophobicContact CG2-SD 4.42Å; V501-M518 HydrophobicContact CB-CG 3.81Å; V501-M518 HydrophobicContact CG1-CG 4.1Å; V501-M518 HydrophobicContact CG2-CG 3.93Å; K505-M518 PolarHBondContact O-N 3.35Å; Y506-M518 HydrophobicContact CD1-CE 3.32Å; Y506-M518 HydrophobicContact CE1-CE 3.64Å; Y506-M518 HydrophobicContact CG-CE 4.2Å; Y506-M518 PolarHBondContact O-N 3.44Å; M518-R520 VanDerWaalsContact C-N 3.3Å; M518-R520 PolarHBondContact O-N 3.47Å; M518-E521 PolarHBondContact O-N 3.26Å; M518-L522 PolarHBondContact O-N 2.97Å; M518-L522 VanDerWaalsContact O-N 3.09Å; M518-A532 HydrophobicContact CE-CB 3.78Å; M518-A532 HydrophobicContact SD-CB 3.92Å
519	I	93.4	Very high	87.9	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.2	-42.6	176.3	-58.1	-61.5	0	0	0	111.1	Y506 W515 G517 L522 M523 L534 R540 V543 I544	Y506-I519 PolarHBondContact O-N 3.22Å; W515-I519 HydrophobicContact CD2-CG2 3.9Å; W515-I519 HydrophobicContact CE3-CB 4.07Å; W515-I519 HydrophobicContact CE3-CG1 4.42Å; W515-I519 HydrophobicContact CE3-CG2 3.65Å; W515-I519 HydrophobicContact CG-CG2 4.31Å; W515-I519 HydrophobicContact CZ3-CG1 4.4Å; W515-I519 HydrophobicContact CZ3-CG2 4.09Å; G517-I519 PolarHBondContact O-N 2.77Å; I519-L522 PolarHBondContact O-N 3.32Å; I519-M523 HydrophobicContact CG2-CG 4.45Å; I519-M523 HydrophobicContact CG2-SD 3.97Å; I519-M523 WeakPolarHBondContact O-CB 3.5Å; I519-M523 VanDerWaalsContact O-CG 3.24Å; I519-M523 WeakPolarHBondContact O-CG 3.41Å; I519-M523 PolarHBondContact O-N 3.32Å; I519-L534 HydrophobicContact CD1-CD1 4.29Å; I519-L534 HydrophobicContact CD1-CD2 4.02Å; I519-R540 HydrophobicContact CD1-CB 4.26Å; I519-R540 HydrophobicContact CD1-CG 3.94Å; I519-R540 HydrophobicContact CG1-CG 4.26Å; I519-V543 HydrophobicContact CG2-CG2 3.81Å; I519-I544 HydrophobicContact CD1-CD1 3.32Å; I519-I544 HydrophobicContact CD1-CG1 4.12Å; I519-I544 HydrophobicContact CG2-CG2 4.35Å
520	R	91.3	Very high	88.4	Confident	101 Å²	101	51 Å²	51	38%	0.381	24%	0.244	S	C	.	.	H	α-helix	trans	-65.8	-40	177.6	-172.4	-169.2	179.4	155	-2.4	111.8	W515 N516 G517 M518 L522 M523 E524	W515-R520 HydrophobicContact CB-CB 4.42Å; W515-R520 VanDerWaalsContact O-CD 3.23Å; W515-R520 WeakPolarHBondContact O-CD 3.29Å; W515-R520 WeakPolarHBondContact O-CG 3.19Å; N516-R520 PolarHBondContact O-N 3.37Å; G517-R520 WeakPolarHBondContact O-CB 3.41Å; G517-R520 PolarHBondContact O-N 3.3Å; G517-R520 VanDerWaalsContact O-N 3.07Å; M518-R520 VanDerWaalsContact C-N 3.3Å; M518-R520 PolarHBondContact O-N 3.47Å; R520-L522 VanDerWaalsContact C-N 3.34Å; R520-L522 PolarHBondContact O-N 2.56Å; R520-M523 WeakPolarHBondContact O-CB 3.38Å; R520-M523 PolarHBondContact O-N 3.47Å; R520-E524 HydrophobicContact CG-CG 4.39Å; R520-E524 IonicContact CZ-OE1 2.72Å; R520-E524 IonicContact NE-OE1 3.58Å; R520-E524 PolarHBondContact NE-OE1 3.37Å; R520-E524 IonicContact NE-OE2 2.71Å; R520-E524 IonicContact NH2-OE1 2.75Å; R520-E524 PolarHBondContact NH2-OE1 3.14Å; R520-E524 VanDerWaalsContact NH2-OE1 3.12Å; R520-E524 WeakPolarHBondContact O-CB 3.2Å; R520-E524 WeakPolarHBondContact O-CG 3.24Å; R520-E524 PolarHBondContact O-N 3.34Å
521	E	91.4	Very high	89	Confident	20 Å²	20	46.9 Å²	46.9	9%	0.093	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-41.2	178.6	-64.8	-165.4	154.9	0	0	112.3	T454 P502 G517 M518 E524 H525 R526 A527	T454-E521 WeakPolarHBondContact CB-OE2 3.27Å; T454-E521 PolarHBondContact OG1-OE2 2.97Å; P502-E521 WeakPolarHBondContact CD-OE1 3.48Å; G517-E521 PolarHBondContact O-N 3Å; M518-E521 PolarHBondContact O-N 3.26Å; E521-E524 PolarHBondContact O-N 3.23Å; E521-H525 PolarHBondContact O-N 3.38Å; E521-H525 VanDerWaalsContact O-N 3.1Å; E521-R526 HydrophobicContact CB-CB 4.29Å; E521-R526 PolarHBondContact O-N 2.88Å; E521-A527 HydrophobicContact CB-CB 4.28Å; E521-A527 PolarHBondContact O-N 3.43Å
522	L	91.4	Very high	89.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.4	-40.2	173.2	-66.7	-178	0	0	0	112.2	M518 I519 R520 E524 H525 A527 A530 I544 P786	M518-L522 PolarHBondContact O-N 2.97Å; M518-L522 VanDerWaalsContact O-N 3.09Å; I519-L522 PolarHBondContact O-N 3.32Å; R520-L522 VanDerWaalsContact C-N 3.34Å; R520-L522 PolarHBondContact O-N 2.56Å; L522-E524 VanDerWaalsContact C-N 3.27Å; L522-E524 PolarHBondContact O-N 3.26Å; L522-H525 PolarHBondContact O-N 2.74Å; L522-A527 HydrophobicContact CD2-CB 4.31Å; L522-A530 HydrophobicContact CD1-CB 3.63Å; L522-A530 HydrophobicContact CD2-CB 4.2Å; L522-A530 HydrophobicContact CG-CB 4.12Å; L522-I544 HydrophobicContact CB-CG2 3.86Å; L522-I544 HydrophobicContact CD1-CD1 3.84Å; L522-I544 HydrophobicContact CD1-CG2 4.32Å; L522-P786 HydrophobicContact CD2-CG 4.34Å
523	M	87.3	Confident	90.2	Very high	24 Å²	24	29.6 Å²	29.6	12%	0.118	14%	0.139	C	C	.	.	H	α-helix	trans	-65	-29.8	177.6	-78.4	176.5	79.9	0	0	113.6	W515 I519 R520 V543 I544	W515-M523 HydrophobicContact CB-SD 3.87Å; W515-M523 HydrophobicContact CD2-SD 4.47Å; W515-M523 HydrophobicContact CG-CE 4.31Å; W515-M523 HydrophobicContact CG-SD 3.71Å; I519-M523 HydrophobicContact CG2-CG 4.45Å; I519-M523 HydrophobicContact CG2-SD 3.97Å; I519-M523 WeakPolarHBondContact O-CB 3.5Å; I519-M523 VanDerWaalsContact O-CG 3.24Å; I519-M523 WeakPolarHBondContact O-CG 3.41Å; I519-M523 PolarHBondContact O-N 3.32Å; R520-M523 WeakPolarHBondContact O-CB 3.38Å; R520-M523 PolarHBondContact O-N 3.47Å; M523-V543 HydrophobicContact CE-CB 3.92Å; M523-V543 HydrophobicContact CE-CG1 4.03Å; M523-V543 HydrophobicContact CG-CB 4.28Å; M523-V543 HydrophobicContact SD-CB 3.84Å; M523-V543 HydrophobicContact SD-CG1 4.43Å; M523-V543 HydrophobicContact SD-CG2 3.91Å; M523-I544 HydrophobicContact CG-CG2 4Å
524	E	83.8	Confident	90.7	Very high	75 Å²	75	28.2 Å²	28.2	35%	0.35	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	3.9	179.1	-68.2	178.7	178.5	0	0	112.6	R520 E521 L522 R526	R520-E524 HydrophobicContact CG-CG 4.39Å; R520-E524 IonicContact CZ-OE1 2.72Å; R520-E524 IonicContact NE-OE1 3.58Å; R520-E524 PolarHBondContact NE-OE1 3.37Å; R520-E524 IonicContact NE-OE2 2.71Å; R520-E524 IonicContact NH2-OE1 2.75Å; R520-E524 PolarHBondContact NH2-OE1 3.14Å; R520-E524 VanDerWaalsContact NH2-OE1 3.12Å; R520-E524 WeakPolarHBondContact O-CB 3.2Å; R520-E524 WeakPolarHBondContact O-CG 3.24Å; R520-E524 PolarHBondContact O-N 3.34Å; E521-E524 PolarHBondContact O-N 3.23Å; L522-E524 VanDerWaalsContact C-N 3.27Å; L522-E524 PolarHBondContact O-N 3.26Å; E524-R526 HydrophobicContact CB-CG 4.25Å; E524-R526 PolarHBondContact O-N 2.84Å; E524-R526 IonicContact OE2-CZ 3.15Å; E524-R526 IonicContact OE2-NE 3.56Å; E524-R526 PolarHBondContact OE2-NE 3.09Å; E524-R526 IonicContact OE2-NH2 3.94Å; E524-R526 PolarHBondContact OE2-NH2 3.24Å
525	H	81.9	Confident	91	Very high	50 Å²	50	22.7 Å²	22.7	23%	0.231	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	36	-174.9	-60.1	-93.6	0	0	0	113	F228 Y255 E521 L522 P786	F228-H525 AromaticContact CE1-NE2 3.86Å; F228-H525 AromaticContact CZ-CD2 3.88Å; F228-H525 AromaticContact CZ-NE2 3.34Å; F228-H525 VanDerWaalsContact CZ-NE2 3.34Å; F228-H525 WeakPolarHBondContact CZ-NE2 3.49Å; Y255-H525 AromaticContact CD1-CE1 3.85Å; Y255-H525 AromaticContact CD2-CE1 3.98Å; Y255-H525 AromaticContact CD2-ND1 3.61Å; Y255-H525 AromaticContact CE1-CE1 3.86Å; Y255-H525 AromaticContact CE1-ND1 3.99Å; Y255-H525 AromaticContact CE2-ND1 3.4Å; Y255-H525 WeakPolarHBondContact CE2-ND1 3.48Å; Y255-H525 AromaticContact CG-CE1 3.91Å; Y255-H525 AromaticContact CZ-CE1 3.96Å; Y255-H525 AromaticContact CZ-ND1 3.61Å; E521-H525 PolarHBondContact O-N 3.38Å; E521-H525 VanDerWaalsContact O-N 3.1Å; L522-H525 PolarHBondContact O-N 2.74Å; H525-P786 WeakPolarHBondContact CE1-CB 3.48Å
526	R	84.1	Confident	91.2	Very high	122 Å²	122	23.7 Å²	23.7	46%	0.46	11%	0.105	S	C	.	.	S	Bend	trans	-80.8	-23.3	169.5	-72	-161.8	-97.2	156.7	-8.6	112.1	E521 E524	E521-R526 HydrophobicContact CB-CB 4.29Å; E521-R526 PolarHBondContact O-N 2.88Å; E524-R526 HydrophobicContact CB-CG 4.25Å; E524-R526 PolarHBondContact O-N 2.84Å; E524-R526 IonicContact OE2-CZ 3.15Å; E524-R526 IonicContact OE2-NE 3.56Å; E524-R526 PolarHBondContact OE2-NE 3.09Å; E524-R526 IonicContact OE2-NH2 3.94Å; E524-R526 PolarHBondContact OE2-NH2 3.24Å
527	A	89.4	Confident	91.2	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.008	11%	0.11	C	C	.	.			trans	-131.1	147.1	170.3	0	0	0	0	0	109.1	V452 T454 E521 L522	V452-A527 HydrophobicContact CG1-CB 4.48Å; T454-A527 HydrophobicContact CG2-CB 3.64Å; E521-A527 HydrophobicContact CB-CB 4.28Å; E521-A527 PolarHBondContact O-N 3.43Å; L522-A527 HydrophobicContact CD2-CB 4.31Å
528	D	89.3	Confident	91.1	Very high	25 Å²	25	32 Å²	32	13%	0.134	14%	0.139	C	C	.	.	S	Bend	trans	-90.1	-30.2	-179.3	-58.5	-51.3	0	0	0	111.8	L451 V452 P786	L451-D528 HydrophobicContact CB-CB 4.41Å; L451-D528 HydrophobicContact CD2-CB 4.21Å; V452-D528 PolarHBondContact N-OD2 2.87Å; V452-D528 PolarHBondContact O-N 3.43Å; D528-P786 WeakPolarHBondContact O-CD 3.32Å
529	L	93.7	Very high	90.9	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.016	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	142.5	-179.3	-67.2	173.3	0	0	0	110.9	L451 V452 I453 T454 V531 I783 T785 I795	L451-L529 HydrophobicContact CD1-CD1 3.62Å; L451-L529 HydrophobicContact CD1-CG 4.46Å; V452-L529 PolarHBondContact O-N 3.43Å; I453-L529 CarbonylContact C-O 3.6Å; I453-L529 WeakPolarHBondContact CA-O 3.33Å; I453-L529 HydrophobicContact CG1-CB 4.34Å; T454-L529 PolarHBondContact N-O 2.94Å; L529-V531 HydrophobicContact CB-CG2 4.46Å; L529-I783 HydrophobicContact CD2-CG2 4.25Å; L529-T785 HydrophobicContact CD2-CG2 3.49Å; L529-T785 VanDerWaalsContact CD2-CG2 3.49Å; L529-I795 HydrophobicContact CD1-CD1 3.73Å; L529-I795 HydrophobicContact CD2-CD1 3.26Å; L529-I795 HydrophobicContact CG-CD1 4.15Å
530	A	96.5	Very high	90.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	103.8	168.4	0	0	0	0	0	109.3	T454 L522 L534 G784	T454-A530 HydrophobicContact CG2-CB 3.67Å; T454-A530 WeakPolarHBondContact O-CA 3.37Å; L522-A530 HydrophobicContact CD1-CB 3.63Å; L522-A530 HydrophobicContact CD2-CB 4.2Å; L522-A530 HydrophobicContact CG-CB 4.12Å; A530-L534 HydrophobicContact CB-CD2 4.44Å; A530-G784 PolarHBondContact N-O 2.88Å; A530-G784 PolarHBondContact O-N 2.91Å
531	V	96.3	Very high	90.8	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.024	16%	0.159	C	C	.	.			trans	-106.2	97.3	177.2	-172.7	0	0	0	0	108.2	I453 T454 T455 C481 L485 L529 I783	I453-V531 HydrophobicContact CG2-CB 3.96Å; I453-V531 HydrophobicContact CG2-CG2 3.87Å; T454-V531 PolarHBondContact O-N 3.43Å; T455-V531 WeakPolarHBondContact CB-O 3.1Å; T455-V531 PolarHBondContact OG1-O 3.45Å; C481-V531 HydrophobicContact CB-CG1 4.13Å; L485-V531 HydrophobicContact CB-CG1 4.49Å; L485-V531 HydrophobicContact CD1-CG2 4.44Å; L529-V531 HydrophobicContact CB-CG2 4.46Å; V531-I783 HydrophobicContact CG2-CD1 4.32Å; V531-I783 HydrophobicContact CG2-CG2 4.06Å
532	A	94.8	Very high	90.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-156.2	170.1	-175.7	0	0	0	0	0	108.7	I456 M518 L534	I456-A532 HydrophobicContact CG2-CB 4.2Å; M518-A532 HydrophobicContact CE-CB 3.78Å; M518-A532 HydrophobicContact SD-CB 3.92Å; A532-L534 PolarHBondContact O-N 2.95Å
533	P	93.1	Very high	90.7	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	19%	0.188	C	C	.	.	S	Bend	trans	-69.4	62.6	166.7	31.2	-36.8	0	0	0	110.9	E458 Y461 Y506 T535 Y781	E458-P533 VanDerWaalsContact OE2-CG 3.23Å; E458-P533 WeakPolarHBondContact OE2-CG 3.33Å; Y461-P533 HydrophobicContact CD1-CB 3.91Å; Y461-P533 HydrophobicContact CD1-CG 4.2Å; Y461-P533 HydrophobicContact CD2-CB 3.95Å; Y461-P533 HydrophobicContact CD2-CG 3.67Å; Y461-P533 HydrophobicContact CE1-CB 3.87Å; Y461-P533 HydrophobicContact CE2-CB 3.92Å; Y461-P533 HydrophobicContact CE2-CG 4.09Å; Y461-P533 HydrophobicContact CG-CB 3.94Å; Y461-P533 HydrophobicContact CG-CG 3.73Å; Y506-P533 HydrophobicContact CE1-CG 4.37Å; Y506-P533 WeakPolarHBondContact OH-CG 3.37Å; P533-T535 PolarHBondContact O-N 3.15Å; P533-Y781 HydrophobicContact CB-CD1 4.09Å; P533-Y781 HydrophobicContact CB-CD2 4.18Å; P533-Y781 HydrophobicContact CB-CE1 3.84Å; P533-Y781 HydrophobicContact CB-CE2 3.97Å; P533-Y781 HydrophobicContact CB-CG 4.25Å; P533-Y781 WeakPolarHBondContact O-CD1 3.39Å; P533-Y781 WeakPolarHBondContact O-CE1 3.24Å
534	L	93.4	Very high	91.1	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.183	C	C	.	.			trans	-89.8	107.6	-175.8	-174.5	64.8	0	0	0	110	Y506 I519 A530 A532 I536 I544 F546 G782	Y506-L534 HydrophobicContact CD1-CD1 3.82Å; I519-L534 HydrophobicContact CD1-CD1 4.29Å; I519-L534 HydrophobicContact CD1-CD2 4.02Å; A530-L534 HydrophobicContact CB-CD2 4.44Å; A532-L534 PolarHBondContact O-N 2.95Å; L534-I536 PolarHBondContact O-N 3.23Å; L534-I544 HydrophobicContact CD2-CD1 4.43Å; L534-F546 HydrophobicContact CD2-CE1 3.6Å; L534-F546 HydrophobicContact CD2-CZ 3.98Å; L534-F546 HydrophobicContact CG-CE1 3.88Å; L534-F546 HydrophobicContact CG-CZ 4.24Å; L534-G782 PolarHBondContact O-N 2.87Å
535	T	92.9	Very high	91.5	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.031	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-63.3	125.1	178	-28.6	0	0	0	0	111.2	P533 T537 R540 M553 A706 E755 K779	P533-T535 PolarHBondContact O-N 3.15Å; T535-T537 HydrophobicContact CG2-CG2 4.48Å; T535-T537 PolarHBondContact O-N 2.98Å; T535-R540 PolarHBondContact O-NH1 2.99Å; T535-M553 HydrophobicContact CG2-CE 3.67Å; T535-A706 HydrophobicContact CG2-CB 4.5Å; T535-E755 PolarHBondContact OG1-OE1 3.03Å; T535-K779 HydrophobicContact CG2-CB 4.27Å; T535-K779 HydrophobicContact CG2-CD 3.8Å; T535-K779 HydrophobicContact CG2-CG 4.45Å
536	I	93.7	Very high	92.2	Very high	41 Å²	41	36.2 Å²	36.2	21%	0.21	17%	0.166	C	C	.	.			trans	-69.8	123.5	174	-54.8	174.2	0	0	0	108.5	L534 F546 P549 G780	L534-I536 PolarHBondContact O-N 3.23Å; I536-F546 HydrophobicContact CD1-CB 4.32Å; I536-F546 HydrophobicContact CG1-CB 4.31Å; I536-F546 HydrophobicContact CG1-CD1 3.81Å; I536-F546 HydrophobicContact CG1-CE1 4.22Å; I536-F546 HydrophobicContact CG1-CG 3.99Å; I536-F546 HydrophobicContact CG2-CB 4.49Å; I536-F546 HydrophobicContact CG2-CD2 4.05Å; I536-F546 HydrophobicContact CG2-CE2 4.45Å; I536-F546 HydrophobicContact CG2-CG 4.18Å; I536-P549 HydrophobicContact CD1-CB 4.03Å; I536-G780 PolarHBondContact N-O 3.21Å; I536-G780 VanDerWaalsContact N-O 3.12Å
537	T	91.1	Very high	92.7	Very high	36 Å²	36	30.7 Å²	30.7	22%	0.221	15%	0.146	C	C	.	.			trans	-138.9	149.5	177	67	0	0	0	0	110.4	T535 V539 R540 E541	T535-T537 HydrophobicContact CG2-CG2 4.48Å; T535-T537 PolarHBondContact O-N 2.98Å; T537-V539 PolarHBondContact O-N 2.89Å; T537-V539 VanDerWaalsContact O-N 3.1Å; T537-R540 PolarHBondContact O-N 3.33Å; T537-R540 WeakPolarHBondContact OG1-CG 3.32Å; T537-R540 PolarHBondContact OG1-N 3.41Å; T537-E541 PolarHBondContact O-N 3.44Å
538	Y	89.5	Confident	92.9	Very high	163 Å²	163	36.5 Å²	36.5	64%	0.639	17%	0.171	S	C	*	.	H	α-helix	trans	-52.2	-36.2	178.8	174.5	-106.3	0	0	0	113.9	K542	Y538-K542 HydrophobicContact CE1-CD 4.28Å; Y538-K542 VanDerWaalsContact CE1-NZ 3.31Å; Y538-K542 PolarHBondContact O-N 3.06Å; Y538-K542 WeakPolarHBondContact OH-CE 3.34Å; Y538-K542 PolarHBondContact OH-NZ 3.36Å
539	V	89.9	Confident	93.2	Very high	40 Å²	40	38.1 Å²	38.1	24%	0.242	18%	0.183	C	C	.	.	H	α-helix	trans	-73.8	-34.9	-177.6	-169.5	0	0	0	0	111.2	W515 T537	W515-V539 HydrophobicContact CH2-CB 4.34Å; W515-V539 HydrophobicContact CH2-CG1 3.71Å; W515-V539 HydrophobicContact CZ2-CG1 3.7Å; W515-V539 WeakPolarHBondContact CZ2-O 3.18Å; T537-V539 PolarHBondContact O-N 2.89Å; T537-V539 VanDerWaalsContact O-N 3.1Å
540	R	92.2	Very high	93.2	Very high	15 Å²	15	38.4 Å²	38.4	6%	0.057	18%	0.184	C	C	.	.	H	α-helix	trans	-74.7	-41	175.8	-68.8	174.3	175.8	165.5	-3.3	111.4	G507 W515 I519 T535 T537 K542 V543 I544 F546	G507-R540 PolarHBondContact O-NH2 2.84Å; W515-R540 HydrophobicContact CH2-CG 4.01Å; W515-R540 HydrophobicContact CZ3-CG 4.13Å; I519-R540 HydrophobicContact CD1-CB 4.26Å; I519-R540 HydrophobicContact CD1-CG 3.94Å; I519-R540 HydrophobicContact CG1-CG 4.26Å; T535-R540 PolarHBondContact O-NH1 2.99Å; T537-R540 PolarHBondContact O-N 3.33Å; T537-R540 WeakPolarHBondContact OG1-CG 3.32Å; T537-R540 PolarHBondContact OG1-N 3.41Å; R540-K542 PolarHBondContact O-N 3.31Å; R540-K542 VanDerWaalsContact O-N 3.16Å; R540-V543 WeakPolarHBondContact O-CG2 3.31Å; R540-V543 PolarHBondContact O-N 3.4Å; R540-I544 VanDerWaalsContact O-CG1 3.26Å; R540-I544 WeakPolarHBondContact O-CG1 3.33Å; R540-I544 PolarHBondContact O-N 2.94Å; R540-F546 HydrophobicContact CB-CE2 3.72Å; R540-F546 HydrophobicContact CB-CZ 3.9Å
541	E	90.9	Very high	93	Very high	106 Å²	106	39.3 Å²	39.3	50%	0.495	19%	0.188	S	C	.	.	H	α-helix	trans	-63.7	-20.1	179.2	-165.9	172.2	-168.7	0	0	113.2	T537 V543 I544 F546	T537-E541 PolarHBondContact O-N 3.44Å; E541-V543 VanDerWaalsContact C-N 3.31Å; E541-V543 PolarHBondContact O-N 2.96Å; E541-I544 CarbonylContact C-O 3.59Å; E541-I544 VanDerWaalsContact CA-O 3.3Å; E541-I544 WeakPolarHBondContact CA-O 3.46Å; E541-I544 VanDerWaalsContact O-O 3.1Å; E541-F546 HydrophobicContact CB-CD2 4.34Å
542	K	90.5	Very high	92.8	Very high	127 Å²	127	43.9 Å²	43.9	55%	0.552	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-24.6	171.3	-81.7	-174.3	175.9	179.7	0	114.5	Y538 R540	Y538-K542 HydrophobicContact CE1-CD 4.28Å; Y538-K542 VanDerWaalsContact CE1-NZ 3.31Å; Y538-K542 PolarHBondContact O-N 3.06Å; Y538-K542 WeakPolarHBondContact OH-CE 3.34Å; Y538-K542 PolarHBondContact OH-NZ 3.36Å; R540-K542 PolarHBondContact O-N 3.31Å; R540-K542 VanDerWaalsContact O-N 3.16Å
543	V	91	Very high	92.7	Very high	26 Å²	26	44.2 Å²	44.2	16%	0.158	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-22.1	-169.9	-64.5	0	0	0	0	113.6	W515 I519 M523 R540 E541	W515-V543 HydrophobicContact CD2-CG2 4.46Å; W515-V543 HydrophobicContact CH2-CG2 4.47Å; W515-V543 HydrophobicContact CZ2-CG1 4.37Å; W515-V543 HydrophobicContact CZ2-CG2 3.84Å; I519-V543 HydrophobicContact CG2-CG2 3.81Å; M523-V543 HydrophobicContact CE-CB 3.92Å; M523-V543 HydrophobicContact CE-CG1 4.03Å; M523-V543 HydrophobicContact CG-CB 4.28Å; M523-V543 HydrophobicContact SD-CB 3.84Å; M523-V543 HydrophobicContact SD-CG1 4.43Å; M523-V543 HydrophobicContact SD-CG2 3.91Å; R540-V543 WeakPolarHBondContact O-CG2 3.31Å; R540-V543 PolarHBondContact O-N 3.4Å; E541-V543 VanDerWaalsContact C-N 3.31Å; E541-V543 PolarHBondContact O-N 2.96Å
544	I	94.1	Very high	92.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	159.6	174.6	60.5	157.4	0	0	0	109	I519 L522 M523 L534 R540 E541 F546 T785	I519-I544 HydrophobicContact CD1-CD1 3.32Å; I519-I544 HydrophobicContact CD1-CG1 4.12Å; I519-I544 HydrophobicContact CG2-CG2 4.35Å; L522-I544 HydrophobicContact CB-CG2 3.86Å; L522-I544 HydrophobicContact CD1-CD1 3.84Å; L522-I544 HydrophobicContact CD1-CG2 4.32Å; M523-I544 HydrophobicContact CG-CG2 4Å; L534-I544 HydrophobicContact CD2-CD1 4.43Å; R540-I544 VanDerWaalsContact O-CG1 3.26Å; R540-I544 WeakPolarHBondContact O-CG1 3.33Å; R540-I544 PolarHBondContact O-N 2.94Å; E541-I544 CarbonylContact C-O 3.59Å; E541-I544 VanDerWaalsContact CA-O 3.3Å; E541-I544 WeakPolarHBondContact CA-O 3.46Å; E541-I544 VanDerWaalsContact O-O 3.1Å; I544-F546 HydrophobicContact CD1-CE1 4.21Å; I544-F546 HydrophobicContact CD1-CE2 3.86Å; I544-F546 HydrophobicContact CD1-CZ 3.65Å; I544-F546 HydrophobicContact CG1-CE2 3.96Å; I544-F546 HydrophobicContact CG1-CZ 4.26Å; I544-T785 WeakPolarHBondContact CB-O 3.19Å
545	D	93.7	Very high	92.6	Very high	27 Å²	27	44.2 Å²	44.2	14%	0.144	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	148.8	174.4	-81.2	-21	0	0	0	110.6	T785 L787 G788 R792	D545-T785 WeakPolarHBondContact CB-OG1 3.45Å; D545-T785 PolarHBondContact N-O 2.86Å; D545-T785 PolarHBondContact O-N 2.82Å; D545-T785 VanDerWaalsContact O-O 3.06Å; D545-T785 PolarHBondContact O-OG1 2.83Å; D545-L787 WeakPolarHBondContact OD1-CD1 3.39Å; D545-G788 PolarHBondContact OD2-N 2.79Å; D545-R792 HydrophobicContact CB-CG 4.41Å; D545-R792 IonicContact OD2-NH1 3.7Å; D545-R792 PolarHBondContact OD2-NH1 2.81Å; D545-R792 VanDerWaalsContact OD2-NH1 3.15Å
546	F	95.5	Very high	92.6	Very high	18 Å²	18	44 Å²	44	8%	0.079	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	150.3	174.8	-74.9	-84.9	0	0	0	111.8	L534 I536 R540 E541 I544 I783	L534-F546 HydrophobicContact CD2-CE1 3.6Å; L534-F546 HydrophobicContact CD2-CZ 3.98Å; L534-F546 HydrophobicContact CG-CE1 3.88Å; L534-F546 HydrophobicContact CG-CZ 4.24Å; I536-F546 HydrophobicContact CD1-CB 4.32Å; I536-F546 HydrophobicContact CG1-CB 4.31Å; I536-F546 HydrophobicContact CG1-CD1 3.81Å; I536-F546 HydrophobicContact CG1-CE1 4.22Å; I536-F546 HydrophobicContact CG1-CG 3.99Å; I536-F546 HydrophobicContact CG2-CB 4.49Å; I536-F546 HydrophobicContact CG2-CD2 4.05Å; I536-F546 HydrophobicContact CG2-CE2 4.45Å; I536-F546 HydrophobicContact CG2-CG 4.18Å; R540-F546 HydrophobicContact CB-CE2 3.72Å; R540-F546 HydrophobicContact CB-CZ 3.9Å; E541-F546 HydrophobicContact CB-CD2 4.34Å; I544-F546 HydrophobicContact CD1-CE1 4.21Å; I544-F546 HydrophobicContact CD1-CE2 3.86Å; I544-F546 HydrophobicContact CD1-CZ 3.65Å; I544-F546 HydrophobicContact CG1-CE2 3.96Å; I544-F546 HydrophobicContact CG1-CZ 4.26Å; F546-I783 WeakPolarHBondContact CA-O 3.17Å
547	S	94.8	Very high	92.6	Very high	6 Å²	6	42.1 Å²	42.1	4%	0.042	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-69.1	173	162.6	72.5	0	0	0	0	111.5	I783 S796 I799	S547-I783 PolarHBondContact N-O 3.44Å; S547-I783 PolarHBondContact OG-N 2.85Å; S547-S796 WeakPolarHBondContact CA-OG 3.44Å; S547-I799 VanDerWaalsContact OG-CD1 3.24Å; S547-I799 WeakPolarHBondContact OG-CD1 3.39Å
548	K	94.2	Very high	92.7	Very high	123 Å²	123	40.4 Å²	40.4	54%	0.535	20%	0.201	S	C	.	.	S	Bend	trans	-55.8	143.7	160.2	-64.7	-61.5	-176.9	-176	0	110.2	F550 S796	K548-F550 PolarHBondContact O-N 2.98Å; K548-S796 PolarHBondContact N-OG 2.82Å
549	P	94.9	Very high	92.8	Very high	60 Å²	60	33.2 Å²	33.2	39%	0.39	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-66.4	132.5	-177.8	26.6	-33.3	0	0	0	110.4	I536 Y781	I536-P549 HydrophobicContact CD1-CB 4.03Å; P549-Y781 CarbonylContact C-O 3.53Å; P549-Y781 WeakPolarHBondContact CA-O 3.45Å; P549-Y781 WeakPolarHBondContact CB-O 3.28Å
550	F	94.2	Very high	92.7	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.035	18%	0.177	C	C	.	.	S	Bend	trans	-90.7	-16.7	178.6	64.7	-99	0	0	0	112.6	F480 L484 K548 Y781 I783 I799 L808	F480-F550 AromaticContact CE1-CD2 3.93Å; F480-F550 HydrophobicContact CE1-CD2 3.93Å; F480-F550 AromaticContact CE1-CE2 3.68Å; F480-F550 HydrophobicContact CE1-CE2 3.68Å; F480-F550 HydrophobicContact CZ-CD2 4.43Å; L484-F550 HydrophobicContact CD2-CB 4.41Å; L484-F550 HydrophobicContact CD2-CD1 4.27Å; L484-F550 HydrophobicContact CD2-CD2 3.95Å; L484-F550 HydrophobicContact CD2-CE2 4.29Å; L484-F550 HydrophobicContact CD2-CG 3.95Å; K548-F550 PolarHBondContact O-N 2.98Å; F550-Y781 WeakPolarHBondContact CD1-O 3.46Å; F550-Y781 HydrophobicContact CE2-CD2 4.49Å; F550-Y781 HydrophobicContact CZ-CD2 4.49Å; F550-Y781 HydrophobicContact CZ-CG 4.3Å; F550-Y781 PolarHBondContact N-O 3.01Å; F550-I783 HydrophobicContact CD1-CG1 4.17Å; F550-I783 HydrophobicContact CE1-CG1 4.29Å; F550-I799 HydrophobicContact CB-CG2 3.9Å; F550-L808 HydrophobicContact CB-CD1 4.22Å; F550-L808 HydrophobicContact CB-CD2 4.3Å; F550-L808 HydrophobicContact CD2-CD2 4.44Å; F550-L808 WeakPolarHBondContact O-CD1 3.47Å
551	M	92.6	Very high	92.3	Very high	19 Å²	19	39 Å²	39	9%	0.094	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	126.7	178	-174.3	175.6	-75.3	0	0	109.4	F480 T757 G780 Y781 K812 W816	F480-M551 HydrophobicContact CE1-CE 3.9Å; F480-M551 HydrophobicContact CE2-CE 3.96Å; F480-M551 HydrophobicContact CZ-CE 3.56Å; M551-T757 HydrophobicContact CG-CG2 4.23Å; M551-T757 HydrophobicContact SD-CG2 3.65Å; M551-G780 CarbonylContact O-C 3.45Å; M551-G780 WeakPolarHBondContact O-CA 3.2Å; M551-Y781 HydrophobicContact CB-CD2 4.23Å; M551-Y781 HydrophobicContact CG-CD2 4.46Å; M551-Y781 PolarHBondContact O-N 3.16Å; M551-Y781 HydrophobicContact SD-CD2 4.22Å; M551-Y781 HydrophobicContact SD-CE2 4.42Å; M551-K812 HydrophobicContact CE-CB 4.5Å; M551-K812 HydrophobicContact CE-CD 4.44Å; M551-K812 HydrophobicContact CE-CG 4.24Å; M551-W816 HydrophobicContact CE-CH2 4Å; M551-W816 HydrophobicContact CE-CZ3 4.2Å; M551-W816 HydrophobicContact SD-CH2 4.36Å
552	S	92.1	Very high	91.5	Very high	100 Å²	100	35.4 Å²	35.4	70%	0.699	18%	0.176	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	135.7	175.1	-59.2	0	0	0	0	109.9
553	M	92.1	Very high	90.4	Very high	7 Å²	7	36 Å²	36	3%	0.034	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	177.5	-178.2	63.1	72.2	149.6	0	0	110.8	T535 E755 T757 K779 Y781	T535-M553 HydrophobicContact CG2-CE 3.67Å; M553-E755 HydrophobicContact CE-CB 4.14Å; M553-E755 HydrophobicContact CE-CG 3.55Å; M553-E755 WeakPolarHBondContact CE-OE1 3.4Å; M553-E755 HydrophobicContact SD-CB 4.4Å; M553-E755 HydrophobicContact SD-CG 4.18Å; M553-T757 HydrophobicContact CB-CG2 3.66Å; M553-K779 HydrophobicContact CE-CB 4.44Å; M553-K779 PolarHBondContact N-O 3.43Å; M553-K779 CarbonylContact O-C 3.39Å; M553-K779 WeakPolarHBondContact O-CA 3.47Å; M553-K779 PolarHBondContact O-N 2.92Å; M553-K779 HydrophobicContact SD-CB 3.77Å; M553-Y781 HydrophobicContact CE-CD1 3.91Å; M553-Y781 HydrophobicContact CE-CE1 3.21Å; M553-Y781 HydrophobicContact CE-CE2 4.43Å; M553-Y781 HydrophobicContact CG-CD2 4.44Å; M553-Y781 HydrophobicContact CG-CE1 4.35Å; M553-Y781 HydrophobicContact CG-CE2 4.06Å
554	G	92.3	Very high	88.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.			trans	-158.5	170.4	173.5	0	0	0	0	0	111.1	S756 D777	G554-S756 PolarHBondContact N-OG 3.14Å; G554-S756 WeakPolarHBondContact O-CB 3.42Å; G554-S756 PolarHBondContact O-N 3.24Å; G554-S756 PolarHBondContact O-OG 2.88Å; G554-D777 WeakPolarHBondContact CA-O 3.28Å; G554-D777 VanDerWaalsContact CA-OD1 3.24Å; G554-D777 WeakPolarHBondContact CA-OD1 3.4Å
555	I	93.1	Very high	87.2	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	131.7	174.3	-58.7	165.8	0	0	0	108.1	T707 F710 I753 I776 D777	I555-T707 HydrophobicContact CD1-CG2 3.89Å; I555-T707 HydrophobicContact CG1-CG2 4.05Å; I555-T707 HydrophobicContact CG2-CG2 3.93Å; I555-F710 HydrophobicContact CD1-CB 4.36Å; I555-F710 HydrophobicContact CD1-CD1 3.54Å; I555-F710 HydrophobicContact CD1-CE1 3.9Å; I555-F710 HydrophobicContact CD1-CG 3.93Å; I555-I753 HydrophobicContact CG2-CG2 3.25Å; I555-I776 HydrophobicContact CB-CB 4.24Å; I555-I776 HydrophobicContact CG2-CD1 4.09Å; I555-I776 WeakPolarHBondContact O-CB 3.44Å; I555-I776 PolarHBondContact O-N 3.16Å; I555-D777 WeakPolarHBondContact CD1-OD2 3.42Å; I555-D777 WeakPolarHBondContact CG1-OD1 3.48Å; I555-D777 PolarHBondContact N-OD1 2.59Å
556	S	92.8	Very high	85.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	176.1	174.9	-176.6	0	0	0	0	110	T754 I759 Q771	S556-T754 PolarHBondContact N-O 2.94Å; S556-T754 PolarHBondContact O-N 3.47Å; S556-I759 VanDerWaalsContact C-CD1 3.5Å; S556-Q771 VanDerWaalsContact OG-CD 3.28Å; S556-Q771 WeakPolarHBondContact OG-CG 3.34Å; S556-Q771 PolarHBondContact OG-NE2 2.88Å
557	I	92.8	Very high	83.8	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.015	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.4	-172.6	-59.2	149.5	0	0	0	109.2	A688 I691 A751 I753 Q771 V772 I776	I557-A688 HydrophobicContact CD1-CB 4.11Å; I557-I691 HydrophobicContact CD1-CD1 3.62Å; I557-I691 HydrophobicContact CG1-CD1 4.18Å; I557-I691 HydrophobicContact CG2-CD1 3.86Å; I557-A751 HydrophobicContact CG2-CB 3.92Å; I557-I753 HydrophobicContact CG1-CG1 4.26Å; I557-Q771 WeakPolarHBondContact O-CA 3.46Å; I557-V772 HydrophobicContact CB-CB 4.34Å; I557-V772 HydrophobicContact CG2-CB 4.38Å; I557-V772 PolarHBondContact O-N 3.21Å; I557-I776 HydrophobicContact CD1-CD1 4.39Å; I557-I776 HydrophobicContact CG1-CD1 4.43Å
558	L	92.6	Very high	82.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.4	171.3	-175.1	72.6	0	0	0	109.1	V742 L752 I759 I762 T763 L769	L558-V742 HydrophobicContact CD2-CG2 4.01Å; L558-L752 HydrophobicContact CB-CB 4.29Å; L558-L752 HydrophobicContact CD2-CD2 4.29Å; L558-L752 PolarHBondContact N-O 3.43Å; L558-L752 PolarHBondContact O-N 3.33Å; L558-I759 HydrophobicContact CB-CD1 4.11Å; L558-I759 HydrophobicContact CB-CG1 4.08Å; L558-I759 HydrophobicContact CD1-CG1 4.4Å; L558-I759 HydrophobicContact CD1-CG2 3.92Å; L558-I762 HydrophobicContact CD2-CD1 4.42Å; L558-I762 HydrophobicContact CD2-CG2 4.42Å; L558-T763 HydrophobicContact CD1-CG2 3.97Å; L558-L769 HydrophobicContact CD1-CB 4Å; L558-L769 HydrophobicContact CD1-CD1 4.47Å; L558-L769 HydrophobicContact CD2-CD1 4.35Å
559	Y	91.6	Very high	81.4	Confident	11 Å²	11	51.8 Å²	51.8	4%	0.043	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	165.2	175.5	-166.3	-118.1	0	0	0	111.2	P684 I697 D749 Y750 A751 L769 T770	Y559-P684 HydrophobicContact CE1-CG 4.03Å; Y559-I697 HydrophobicContact CE2-CG2 3.88Å; Y559-D749 PolarHBondContact OH-OD1 3.21Å; Y559-Y750 WeakPolarHBondContact CD2-O 3.28Å; Y559-A751 HydrophobicContact CD2-CB 3.96Å; Y559-L769 WeakPolarHBondContact O-CA 3.28Å; Y559-T770 PolarHBondContact N-O 3.46Å; Y559-T770 VanDerWaalsContact N-O 3.07Å; Y559-T770 PolarHBondContact O-N 2.89Å; Y559-T770 VanDerWaalsContact O-O 3.13Å
560	R	89.3	Confident	80.6	Confident	89 Å²	89	54.8 Å²	54.8	34%	0.336	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	139.1	173.4	69.2	-175	-175.8	100.7	-5.9	110.5	D749 N768	R560-D749 IonicContact CZ-OD1 3.52Å; R560-D749 VanDerWaalsContact CZ-OD1 3.24Å; R560-D749 IonicContact NE-OD1 2.77Å; R560-D749 PolarHBondContact NE-OD1 3.47Å; R560-D749 IonicContact NH2-OD1 3.38Å; R560-D749 PolarHBondContact NH2-OD1 2.83Å; R560-N768 CarbonylContact C-O 3.56Å; R560-N768 WeakPolarHBondContact CA-O 3.42Å
561	R	83.9	Confident	79.7	Confident	89 Å²	89	54.6 Å²	54.6	34%	0.336	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-59.9	127	173.3	-170.6	173.4	-72.6	-172.2	0.7	108.4	N563 C767 N768 T770	R561-N563 PolarHBondContact O-N 3.44Å; R561-C767 WeakPolarHBondContact CD-O 3.43Å; R561-C767 PolarHBondContact NE-O 3.45Å; R561-N768 PolarHBondContact N-O 3.26Å; R561-T770 HydrophobicContact CB-CG2 3.76Å; R561-T770 HydrophobicContact CG-CG2 3.7Å; R561-T770 VanDerWaalsContact NE-CG2 3.34Å
562	P	73.3	Confident	79.2	Confident	29 Å²	29	55.5 Å²	55.5	19%	0.188	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-65	133.4	173.1	26.3	-31.7	0	0	0	109
563	N	67.3	Low	78.8	Confident	139 Å²	139	53.8 Å²	53.8	74%	0.743	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-68	138.1	170.4	-68.7	-15.2	0	0	0	108.1	R561 T565	R561-N563 PolarHBondContact O-N 3.44Å; N563-T565 PolarHBondContact O-N 2.96Å; N563-T565 VanDerWaalsContact O-N 3.11Å
564	A	60.5	Low	78.4	Confident	56 Å²	56	58 Å²	58	46%	0.463	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-51.1	123	171.5	0	0	0	0	0	108.5	N566	A564-N566 PolarHBondContact O-N 3.45Å; A564-N566 VanDerWaalsContact O-N 3.11Å
565	T	58.1	Low	78.1	Confident	116 Å²	116	58.8 Å²	58.8	71%	0.712	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-62.1	117.2	176.4	45.3	0	0	0	0	107.5	N563 S567	N563-T565 PolarHBondContact O-N 2.96Å; N563-T565 VanDerWaalsContact O-N 3.11Å; T565-S567 PolarHBondContact O-N 3.22Å
566	N	56.8	Low	77.9	Confident	141 Å²	141	59.4 Å²	59.4	75%	0.754	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-51.1	120.4	175.2	-66.5	-31	0	0	0	108.4	A564 G568	A564-N566 PolarHBondContact O-N 3.45Å; A564-N566 VanDerWaalsContact O-N 3.11Å; N566-G568 PolarHBondContact O-N 3.28Å; N566-G568 VanDerWaalsContact O-N 3.16Å
567	S	60.9	Low	77.7	Confident	38 Å²	38	63 Å²	63	27%	0.266	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-55.9	121.8	174	47.9	0	0	0	0	108.2	T565 N836	T565-S567 PolarHBondContact O-N 3.22Å; S567-N836 WeakPolarHBondContact CB-OD1 3.29Å; S567-N836 PolarHBondContact OG-OD1 3.26Å
568	G	66.9	Low	77.5	Confident	46 Å²	46	67.5 Å²	67.5	47%	0.474	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-62.5	156.5	176.8	0	0	0	0	0	110.8	N566 F570 S571	N566-G568 PolarHBondContact O-N 3.28Å; N566-G568 VanDerWaalsContact O-N 3.16Å; G568-F570 PolarHBondContact O-N 3Å; G568-S571 WeakPolarHBondContact O-CB 3.28Å; G568-S571 PolarHBondContact O-N 2.76Å
569	F	71.6	Confident	77.5	Confident	136 Å²	136	72.6 Å²	72.6	60%	0.596	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-24.7	-179.9	-70.2	-79	0	0	0	114.5	G839 I842	F569-G839 WeakPolarHBondContact O-CA 3.26Å; F569-G839 PolarHBondContact O-N 2.94Å; F569-I842 HydrophobicContact CD1-CD1 4.33Å
570	F	77.4	Confident	77.5	Confident	122 Å²	122	75.1 Å²	75.1	54%	0.535	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	22.8	177.4	-62.8	-72.9	0	0	0	114.1	G568 F572 L573	G568-F570 PolarHBondContact O-N 3Å; F570-F572 AromaticContact CD1-CE1 3.95Å; F570-F572 HydrophobicContact CD1-CE1 3.95Å; F570-F572 HydrophobicContact CD1-CZ 4.2Å; F570-F572 PolarHBondContact O-N 3.45Å; F570-L573 HydrophobicContact CB-CD1 4.35Å; F570-L573 HydrophobicContact CD1-CD1 4.47Å; F570-L573 PolarHBondContact O-N 3.43Å
571	S	76.3	Confident	77.5	Confident	5 Å²	5	75 Å²	75	4%	0.035	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-58	-20.6	-178.5	-170.5	0	0	0	0	114.3	G568 L573 N574 F675	G568-S571 WeakPolarHBondContact O-CB 3.28Å; G568-S571 PolarHBondContact O-N 2.76Å; S571-L573 PolarHBondContact O-N 2.88Å; S571-N574 WeakPolarHBondContact O-CB 3.44Å; S571-N574 PolarHBondContact O-N 3.5Å; S571-F675 WeakPolarHBondContact OG-CE1 3.44Å
572	F	80.5	Confident	77.9	Confident	38 Å²	38	74.7 Å²	74.7	17%	0.167	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-68.8	-15.8	175.4	70.9	-90.7	0	0	0	113.7	F570 P575 Y668 I840	F570-F572 AromaticContact CD1-CE1 3.95Å; F570-F572 HydrophobicContact CD1-CE1 3.95Å; F570-F572 HydrophobicContact CD1-CZ 4.2Å; F570-F572 PolarHBondContact O-N 3.45Å; F572-P575 VanDerWaalsContact O-CD 3.22Å; F572-P575 WeakPolarHBondContact O-CD 3.3Å; F572-Y668 WeakPolarHBondContact O-CE2 3.31Å; F572-Y668 PolarHBondContact O-OH 3.32Å; F572-Y668 VanDerWaalsContact O-OH 3.07Å; F572-I840 HydrophobicContact CD1-CG1 4.2Å; F572-I840 HydrophobicContact CG-CG1 4.4Å
573	L	85.6	Confident	78.9	Confident	63 Å²	63	80.9 Å²	80.9	33%	0.33	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-85.7	-20.6	174.9	-65	176.6	0	0	0	113.2	F570 S571 M576 W581	F570-L573 HydrophobicContact CB-CD1 4.35Å; F570-L573 HydrophobicContact CD1-CD1 4.47Å; F570-L573 PolarHBondContact O-N 3.43Å; S571-L573 PolarHBondContact O-N 2.88Å; L573-M576 PolarHBondContact O-N 3.49Å; L573-W581 HydrophobicContact CD2-CD2 4.4Å; L573-W581 HydrophobicContact CD2-CH2 4.15Å; L573-W581 HydrophobicContact CD2-CZ2 3.68Å; L573-W581 PolarHBondContact O-NE1 3.2Å
574	N	82.3	Confident	80	Confident	96 Å²	96	75 Å²	75	51%	0.513	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.7	-177.8	-66.4	-14.7	0	0	0	116.6	S571 M576 F675	S571-N574 WeakPolarHBondContact O-CB 3.44Å; S571-N574 PolarHBondContact O-N 3.5Å; N574-M576 PolarHBondContact O-N 3.11Å; N574-M576 VanDerWaalsContact O-N 3.1Å; N574-F675 HydrophobicContact CB-CE1 4.48Å; N574-F675 HydrophobicContact CB-CE2 4.31Å; N574-F675 HydrophobicContact CB-CZ 4.08Å
575	P	86.7	Confident	81.5	Confident	16 Å²	16	77.1 Å²	77.1	10%	0.104	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.6	179	-25.4	35.1	0	0	0	115	F572 Y668 N671 L672	F572-P575 VanDerWaalsContact O-CD 3.22Å; F572-P575 WeakPolarHBondContact O-CD 3.3Å; P575-Y668 HydrophobicContact CB-CD2 4.43Å; P575-Y668 HydrophobicContact CB-CE2 4.38Å; P575-Y668 HydrophobicContact CG-CE2 4.27Å; P575-N671 HydrophobicContact CB-CB 4Å; P575-N671 PolarHBondContact O-ND2 2.83Å; P575-L672 HydrophobicContact CB-CB 4.44Å; P575-L672 HydrophobicContact CG-CB 4.03Å; P575-L672 HydrophobicContact CG-CD1 3.67Å; P575-L672 HydrophobicContact CG-CG 4.47Å
576	M	87.8	Confident	83.1	Confident	14 Å²	14	76.5 Å²	76.5	7%	0.069	40%	0.402	C	S	.	.	S	Bend	trans	-128.6	146.7	173.3	-73.4	-177.7	173.2	0	0	109.2	L573 N574 I580 I584 I664 Y668	L573-M576 PolarHBondContact O-N 3.49Å; N574-M576 PolarHBondContact O-N 3.11Å; N574-M576 VanDerWaalsContact O-N 3.1Å; M576-I580 HydrophobicContact CB-CB 4.35Å; M576-I580 HydrophobicContact CB-CD1 4.39Å; M576-I580 HydrophobicContact CB-CG2 4.39Å; M576-I580 HydrophobicContact CG-CG2 4.42Å; M576-I580 HydrophobicContact SD-CG2 3.77Å; M576-I584 HydrophobicContact SD-CD1 4.32Å; M576-I664 HydrophobicContact CE-CG2 4.48Å; M576-Y668 HydrophobicContact SD-CD2 4.48Å
577	T	89.4	Confident	84.7	Confident	75 Å²	75	71.3 Å²	71.3	46%	0.46	38%	0.379	S	S	.	.			trans	-65.9	150.5	175.3	51.9	0	0	0	0	110.4	D579 I580	T577-D579 PolarHBondContact O-N 2.91Å; T577-D579 VanDerWaalsContact O-N 3.08Å; T577-I580 PolarHBondContact O-N 3.31Å; T577-I580 WeakPolarHBondContact OG1-CD1 3.43Å; T577-I580 WeakPolarHBondContact OG1-CG1 3.47Å
578	P	88.2	Confident	86.2	Confident	98 Å²	98	71.2 Å²	71.2	64%	0.636	37%	0.372	S	S	*	.	H	α-helix	trans	-52.6	-32	176.9	-28.3	35.7	0	0	0	113.7	I580 W581 V582	P578-I580 PolarHBondContact O-N 3.14Å; P578-W581 WeakPolarHBondContact O-CB 3.48Å; P578-W581 PolarHBondContact O-N 3.47Å; P578-V582 PolarHBondContact O-N 3.06Å
579	D	92.2	Very high	87.4	Confident	107 Å²	107	72.4 Å²	72.4	57%	0.572	37%	0.368	S	S	*	.	H	α-helix	trans	-62.5	-40.8	178.9	-55.4	-33.3	0	0	0	112.3	T577 W581 V582 Y583	T577-D579 PolarHBondContact O-N 2.91Å; T577-D579 VanDerWaalsContact O-N 3.08Å; D579-W581 VanDerWaalsContact C-N 3.32Å; D579-W581 PolarHBondContact O-N 3.23Å; D579-V582 PolarHBondContact O-N 3.25Å; D579-Y583 HydrophobicContact CB-CE2 4.2Å; D579-Y583 WeakPolarHBondContact O-CD2 3.28Å; D579-Y583 PolarHBondContact O-N 3.3Å
580	I	91.9	Very high	88.4	Confident	64 Å²	64	67.6 Å²	67.6	33%	0.328	36%	0.356	S	S	.	.	H	α-helix	trans	-64.4	-39.5	179.6	-65.3	169.9	0	0	0	110.5	M576 T577 P578 V582 Y583 I584	M576-I580 HydrophobicContact CB-CB 4.35Å; M576-I580 HydrophobicContact CB-CD1 4.39Å; M576-I580 HydrophobicContact CB-CG2 4.39Å; M576-I580 HydrophobicContact CG-CG2 4.42Å; M576-I580 HydrophobicContact SD-CG2 3.77Å; T577-I580 PolarHBondContact O-N 3.31Å; T577-I580 WeakPolarHBondContact OG1-CD1 3.43Å; T577-I580 WeakPolarHBondContact OG1-CG1 3.47Å; P578-I580 PolarHBondContact O-N 3.14Å; I580-V582 VanDerWaalsContact C-N 3.3Å; I580-V582 PolarHBondContact O-N 2.89Å; I580-Y583 PolarHBondContact O-N 2.98Å; I580-I584 HydrophobicContact CG2-CD1 3.89Å; I580-I584 HydrophobicContact CG2-CG1 4.35Å; I580-I584 WeakPolarHBondContact O-CG1 3.38Å; I580-I584 PolarHBondContact O-N 3.28Å
581	W	90.4	Very high	89	Confident	87 Å²	87	63.5 Å²	63.5	33%	0.33	34%	0.341	S	S	.	.	H	α-helix	trans	-60.7	-40.5	176.2	-72.2	107.4	0	0	0	112.3	L573 P578 D579 I584 L585 Y668	L573-W581 HydrophobicContact CD2-CD2 4.4Å; L573-W581 HydrophobicContact CD2-CH2 4.15Å; L573-W581 HydrophobicContact CD2-CZ2 3.68Å; L573-W581 PolarHBondContact O-NE1 3.2Å; P578-W581 WeakPolarHBondContact O-CB 3.48Å; P578-W581 PolarHBondContact O-N 3.47Å; D579-W581 VanDerWaalsContact C-N 3.32Å; D579-W581 PolarHBondContact O-N 3.23Å; W581-I584 PolarHBondContact O-N 2.99Å; W581-L585 PolarHBondContact O-N 3.41Å; W581-L585 VanDerWaalsContact O-N 3.13Å; W581-Y668 HydrophobicContact CH2-CE2 4.3Å; W581-Y668 HydrophobicContact CZ2-CD2 4.36Å; W581-Y668 HydrophobicContact CZ2-CE2 4.06Å
582	V	92.4	Very high	89.7	Confident	82 Å²	82	63.3 Å²	63.3	50%	0.497	34%	0.34	S	S	.	.	H	α-helix	trans	-64.8	-43	174.8	177.1	0	0	0	0	110.8	P578 D579 I580 I584 L585 L586	P578-V582 PolarHBondContact O-N 3.06Å; D579-V582 PolarHBondContact O-N 3.25Å; I580-V582 VanDerWaalsContact C-N 3.3Å; I580-V582 PolarHBondContact O-N 2.89Å; V582-I584 PolarHBondContact O-N 3.47Å; V582-L585 PolarHBondContact O-N 2.84Å; V582-L586 HydrophobicContact CG1-CD1 4.15Å; V582-L586 WeakPolarHBondContact O-CG 3.42Å; V582-L586 PolarHBondContact O-N 3.23Å
583	Y	93.3	Very high	90.2	Very high	159 Å²	159	64.1 Å²	64.1	62%	0.624	35%	0.35	S	S	*	.	H	α-helix	trans	-64.8	-37.3	177.2	-67.1	-51.6	0	0	0	113.3	D579 I580 L586 A587	D579-Y583 HydrophobicContact CB-CE2 4.2Å; D579-Y583 WeakPolarHBondContact O-CD2 3.28Å; D579-Y583 PolarHBondContact O-N 3.3Å; I580-Y583 PolarHBondContact O-N 2.98Å; Y583-L586 PolarHBondContact O-N 3.24Å; Y583-A587 WeakPolarHBondContact O-CB 3.3Å; Y583-A587 PolarHBondContact O-N 3.19Å
584	I	91.6	Very high	90.4	Very high	16 Å²	16	64.6 Å²	64.6	8%	0.082	36%	0.355	C	S	.	.	H	α-helix	trans	-62.7	-44.1	174.8	-68.4	165.3	0	0	0	110.4	M576 I580 W581 V582 A587 Y588 I664	M576-I584 HydrophobicContact SD-CD1 4.32Å; I580-I584 HydrophobicContact CG2-CD1 3.89Å; I580-I584 HydrophobicContact CG2-CG1 4.35Å; I580-I584 WeakPolarHBondContact O-CG1 3.38Å; I580-I584 PolarHBondContact O-N 3.28Å; W581-I584 PolarHBondContact O-N 2.99Å; V582-I584 PolarHBondContact O-N 3.47Å; I584-A587 PolarHBondContact O-N 2.93Å; I584-Y588 WeakPolarHBondContact O-CB 3.41Å; I584-Y588 PolarHBondContact O-N 3.25Å; I584-I664 HydrophobicContact CD1-CG2 3.78Å; I584-I664 HydrophobicContact CG1-CG2 4.38Å
585	L	90.9	Very high	90.7	Very high	100 Å²	100	60 Å²	60	52%	0.524	33%	0.331	S	S	.	.	H	α-helix	trans	-61.7	-44.9	176.9	-179	65.5	0	0	0	111.7	W581 V582 Y588 L589	W581-L585 PolarHBondContact O-N 3.41Å; W581-L585 VanDerWaalsContact O-N 3.13Å; V582-L585 PolarHBondContact O-N 2.84Å; L585-Y588 HydrophobicContact CD1-CD1 4.4Å; L585-Y588 PolarHBondContact O-N 3.48Å; L585-L589 WeakPolarHBondContact O-CG 3.31Å; L585-L589 PolarHBondContact O-N 3.01Å
586	L	91.9	Very high	90.8	Very high	104 Å²	104	62.4 Å²	62.4	55%	0.545	34%	0.34	S	S	.	.	H	α-helix	trans	-64.2	-42.8	177.5	-71.5	173.7	0	0	0	112	V582 Y583 L589 G590	V582-L586 HydrophobicContact CG1-CD1 4.15Å; V582-L586 WeakPolarHBondContact O-CG 3.42Å; V582-L586 PolarHBondContact O-N 3.23Å; Y583-L586 PolarHBondContact O-N 3.24Å; L586-L589 PolarHBondContact O-N 2.89Å; L586-G590 PolarHBondContact O-N 3.29Å
587	A	91.6	Very high	90.8	Very high	32 Å²	32	64.9 Å²	64.9	26%	0.264	36%	0.356	S	S	.	.	H	α-helix	trans	-63.3	-42.5	176.7	0	0	0	0	0	111.7	Y583 I584 G590 V591 W657 F660	Y583-A587 WeakPolarHBondContact O-CB 3.3Å; Y583-A587 PolarHBondContact O-N 3.19Å; I584-A587 PolarHBondContact O-N 2.93Å; A587-G590 PolarHBondContact O-N 3.24Å; A587-V591 WeakPolarHBondContact O-CB 3.23Å; A587-V591 WeakPolarHBondContact O-CG2 3.24Å; A587-V591 PolarHBondContact O-N 3.37Å; A587-W657 HydrophobicContact CB-CZ3 4.39Å; A587-F660 HydrophobicContact CB-CE1 4.4Å
588	Y	92.2	Very high	90.7	Very high	35 Å²	35	63.9 Å²	63.9	14%	0.137	35%	0.347	C	S	.	.	H	α-helix	trans	-57.5	-51.8	174.6	160.9	-106.2	0	0	0	112	I584 L585 G590 V591 S592 F629 V633 W657	I584-Y588 WeakPolarHBondContact O-CB 3.41Å; I584-Y588 PolarHBondContact O-N 3.25Å; L585-Y588 HydrophobicContact CD1-CD1 4.4Å; L585-Y588 PolarHBondContact O-N 3.48Å; Y588-G590 VanDerWaalsContact C-N 3.32Å; Y588-G590 PolarHBondContact O-N 3.16Å; Y588-V591 PolarHBondContact O-N 2.93Å; Y588-S592 PolarHBondContact O-N 3.13Å; Y588-S592 PolarHBondContact O-OG 3.44Å; Y588-F629 HydrophobicContact CE1-CD1 4.21Å; Y588-F629 AromaticContact CZ-CD1 3.87Å; Y588-F629 WeakPolarHBondContact OH-CB 3.42Å; Y588-F629 WeakPolarHBondContact OH-CD1 3.44Å; Y588-F629 PolarHBondContact OH-O 3.33Å; Y588-V633 HydrophobicContact CE2-CG2 3.62Å; Y588-V633 VanDerWaalsContact OH-CG2 3.27Å; Y588-V633 WeakPolarHBondContact OH-CG2 3.38Å; Y588-W657 HydrophobicContact CD2-CZ2 4.37Å
589	L	92.1	Very high	90.5	Very high	71 Å²	71	59.2 Å²	59.2	37%	0.372	32%	0.317	S	S	.	.	H	α-helix	trans	-61.6	-42.4	178.8	-68.2	175	0	0	0	111.6	L585 L586 C593 F629	L585-L589 WeakPolarHBondContact O-CG 3.31Å; L585-L589 PolarHBondContact O-N 3.01Å; L586-L589 PolarHBondContact O-N 2.89Å; L589-C593 WeakPolarHBondContact O-CB 3.44Å; L589-C593 PolarHBondContact O-N 2.93Å; L589-C593 PolarHBondContact O-SG 3.45Å; L589-F629 HydrophobicContact CD2-CD1 4.42Å; L589-F629 HydrophobicContact CD2-CE1 3.69Å; L589-F629 HydrophobicContact CD2-CZ 4.27Å
590	G	92.1	Very high	90.1	Very high	35 Å²	35	61 Å²	61	36%	0.361	32%	0.315	S	S	.	.	H	α-helix	trans	-61.2	-49.6	178.3	0	0	0	0	0	112.6	L586 A587 Y588 C593 V594	L586-G590 PolarHBondContact O-N 3.29Å; A587-G590 PolarHBondContact O-N 3.24Å; Y588-G590 VanDerWaalsContact C-N 3.32Å; Y588-G590 PolarHBondContact O-N 3.16Å; G590-C593 PolarHBondContact O-N 3.08Å; G590-V594 WeakPolarHBondContact O-CB 3.35Å; G590-V594 VanDerWaalsContact O-CG2 3.26Å; G590-V594 WeakPolarHBondContact O-CG2 3.33Å; G590-V594 PolarHBondContact O-N 2.8Å
591	V	90.8	Very high	89.7	Confident	36 Å²	36	66.1 Å²	66.1	22%	0.218	34%	0.335	C	S	.	.	H	α-helix	trans	-65.6	-41.9	-179.4	172.2	0	0	0	0	111.5	A587 Y588 C593 V594 L595 I653 W657	A587-V591 WeakPolarHBondContact O-CB 3.23Å; A587-V591 WeakPolarHBondContact O-CG2 3.24Å; A587-V591 PolarHBondContact O-N 3.37Å; Y588-V591 PolarHBondContact O-N 2.93Å; V591-C593 VanDerWaalsContact C-N 3.35Å; V591-C593 PolarHBondContact O-N 3.11Å; V591-V594 PolarHBondContact O-N 2.94Å; V591-L595 WeakPolarHBondContact O-CB 3.17Å; V591-L595 PolarHBondContact O-N 3.41Å; V591-I653 HydrophobicContact CG1-CG2 4.22Å; V591-W657 HydrophobicContact CB-CD2 4.32Å; V591-W657 HydrophobicContact CB-CE3 4.01Å; V591-W657 HydrophobicContact CB-CZ3 4.31Å; V591-W657 HydrophobicContact CG1-CB 4.06Å; V591-W657 HydrophobicContact CG1-CD2 3.87Å; V591-W657 HydrophobicContact CG1-CE3 4Å; V591-W657 HydrophobicContact CG1-CG 3.91Å; V591-W657 HydrophobicContact CG2-CD2 4.39Å; V591-W657 HydrophobicContact CG2-CE3 3.66Å; V591-W657 HydrophobicContact CG2-CZ3 3.97Å
592	S	90.8	Very high	89.4	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.007	32%	0.324	C	S	.	.	H	α-helix	trans	-63.4	-38.3	175.9	-72.9	0	0	0	0	112.8	Y588 F596 S628	Y588-S592 PolarHBondContact O-N 3.13Å; Y588-S592 PolarHBondContact O-OG 3.44Å; S592-F596 WeakPolarHBondContact O-CB 3.41Å; S592-F596 PolarHBondContact O-N 2.64Å; S592-S628 WeakPolarHBondContact O-CB 3.25Å; S592-S628 PolarHBondContact OG-O 3.25Å
593	C	90.3	Very high	88.6	Confident	56 Å²	56	63.1 Å²	63.1	38%	0.378	33%	0.329	S	S	.	.	H	α-helix	trans	-68.3	-45.2	175	-68.4	0	0	0	0	112.1	L589 G590 V591 L595 F596 V597	L589-C593 WeakPolarHBondContact O-CB 3.44Å; L589-C593 PolarHBondContact O-N 2.93Å; L589-C593 PolarHBondContact O-SG 3.45Å; G590-C593 PolarHBondContact O-N 3.08Å; V591-C593 VanDerWaalsContact C-N 3.35Å; V591-C593 PolarHBondContact O-N 3.11Å; C593-L595 VanDerWaalsContact C-N 3.32Å; C593-L595 PolarHBondContact O-N 3.42Å; C593-F596 WeakPolarHBondContact O-CB 3.38Å; C593-F596 PolarHBondContact O-N 2.95Å; C593-V597 WeakPolarHBondContact O-CG2 3.31Å; C593-V597 PolarHBondContact O-N 3.15Å
594	V	90	Very high	87.8	Confident	72 Å²	72	64.4 Å²	64.4	44%	0.436	33%	0.334	S	S	.	.	H	α-helix	trans	-62.7	-41.1	178.3	170.4	0	0	0	0	110.9	G590 V591 V597 I598 I653	G590-V594 WeakPolarHBondContact O-CB 3.35Å; G590-V594 VanDerWaalsContact O-CG2 3.26Å; G590-V594 WeakPolarHBondContact O-CG2 3.33Å; G590-V594 PolarHBondContact O-N 2.8Å; V591-V594 PolarHBondContact O-N 2.94Å; V594-V597 PolarHBondContact O-N 3.49Å; V594-I598 HydrophobicContact CG1-CD1 3.7Å; V594-I598 WeakPolarHBondContact O-CB 3.42Å; V594-I598 WeakPolarHBondContact O-CG1 3.18Å; V594-I598 PolarHBondContact O-N 3.14Å; V594-I653 HydrophobicContact CG1-CD1 4.19Å
595	L	87.8	Confident	87.3	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-64.3	-42.6	176.3	-168.5	149.2	0	0	0	111.4	V591 C593 A599 F623 F631 I653	V591-L595 WeakPolarHBondContact O-CB 3.17Å; V591-L595 PolarHBondContact O-N 3.41Å; C593-L595 VanDerWaalsContact C-N 3.32Å; C593-L595 PolarHBondContact O-N 3.42Å; L595-A599 WeakPolarHBondContact O-CB 3.2Å; L595-A599 PolarHBondContact O-N 3.03Å; L595-F623 HydrophobicContact CD2-CD1 3.38Å; L595-F623 HydrophobicContact CD2-CE1 3.61Å; L595-F623 HydrophobicContact CD2-CG 4.01Å; L595-F623 HydrophobicContact CD2-CZ 4.4Å; L595-F631 HydrophobicContact CD1-CD1 3.58Å; L595-F631 HydrophobicContact CD1-CE1 3.54Å; L595-F631 HydrophobicContact CD1-CG 4.46Å; L595-F631 HydrophobicContact CD1-CZ 4.41Å; L595-I653 HydrophobicContact CD1-CG2 4.48Å
596	F	88.7	Confident	86.7	Confident	65 Å²	65	62.2 Å²	62.2	29%	0.285	32%	0.318	S	S	.	.	H	α-helix	trans	-59	-48.3	173.9	170.6	-107	0	0	0	112.3	S592 C593 R600 L625	S592-F596 WeakPolarHBondContact O-CB 3.41Å; S592-F596 PolarHBondContact O-N 2.64Å; C593-F596 WeakPolarHBondContact O-CB 3.38Å; C593-F596 PolarHBondContact O-N 2.95Å; F596-R600 PolarHBondContact O-N 3.1Å; F596-L625 HydrophobicContact CB-CD1 4.17Å; F596-L625 HydrophobicContact CD1-CD1 3.99Å; F596-L625 HydrophobicContact CD2-CB 4.08Å; F596-L625 HydrophobicContact CE2-CB 4.13Å; F596-L625 HydrophobicContact CG-CB 4.37Å; F596-L625 HydrophobicContact CG-CD1 3.96Å; F596-L625 HydrophobicContact CZ-CB 4.45Å
597	V	88.8	Confident	85.8	Confident	67 Å²	67	60.2 Å²	60.2	41%	0.406	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-49.9	-179.3	171.6	0	0	0	0	110.8	C593 V594 R600 F601	C593-V597 WeakPolarHBondContact O-CG2 3.31Å; C593-V597 PolarHBondContact O-N 3.15Å; V594-V597 PolarHBondContact O-N 3.49Å; V597-R600 PolarHBondContact O-N 3.14Å; V597-F601 HydrophobicContact CG1-CD2 3.63Å; V597-F601 HydrophobicContact CG1-CE2 3.63Å; V597-F601 WeakPolarHBondContact O-CD2 3.28Å; V597-F601 PolarHBondContact O-N 2.78Å; V597-F601 VanDerWaalsContact O-N 3.1Å
598	I	86.4	Confident	84.7	Confident	54 Å²	54	63.1 Å²	63.1	28%	0.277	32%	0.315	S	S	.	.	H	α-helix	trans	-71.2	-34.5	-176.1	-69.9	173.6	0	0	0	111.9	V594 R600 F601 S602 T650 I653	V594-I598 HydrophobicContact CG1-CD1 3.7Å; V594-I598 WeakPolarHBondContact O-CB 3.42Å; V594-I598 WeakPolarHBondContact O-CG1 3.18Å; V594-I598 PolarHBondContact O-N 3.14Å; I598-R600 PolarHBondContact O-N 3Å; I598-F601 PolarHBondContact O-N 2.97Å; I598-S602 VanDerWaalsContact O-CB 3.31Å; I598-S602 WeakPolarHBondContact O-CB 3.46Å; I598-S602 PolarHBondContact O-N 3.22Å; I598-T650 HydrophobicContact CG2-CG2 4.05Å; I598-I653 HydrophobicContact CB-CD1 4.2Å; I598-I653 HydrophobicContact CD1-CD1 3.37Å; I598-I653 HydrophobicContact CG1-CD1 4.34Å; I598-I653 HydrophobicContact CG2-CD1 4.08Å
599	A	84.2	Confident	83.4	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.8	-30.1	173.2	0	0	0	0	0	112.2	L595 N621 F623 T650	L595-A599 WeakPolarHBondContact O-CB 3.2Å; L595-A599 PolarHBondContact O-N 3.03Å; A599-N621 PolarHBondContact O-ND2 3.13Å; A599-F623 HydrophobicContact CB-CB 3.65Å; A599-F623 HydrophobicContact CB-CD2 4.02Å; A599-F623 HydrophobicContact CB-CG 4.02Å; A599-T650 HydrophobicContact CB-CG2 4.11Å
600	R	83.4	Confident	82.2	Confident	144 Å²	144	65.4 Å²	65.4	54%	0.543	33%	0.329	S	S	.	.	H	α-helix	trans	-80.1	-34.4	176.8	-152.3	64.3	161.9	71.9	-15.2	113	F596 V597 I598 W606	F596-R600 PolarHBondContact O-N 3.1Å; V597-R600 PolarHBondContact O-N 3.14Å; I598-R600 PolarHBondContact O-N 3Å; R600-W606 HydrophobicContact CG-CZ2 4.39Å; R600-W606 VanDerWaalsContact CZ-CZ2 3.42Å; R600-W606 PolarHBondContact O-NE1 3.43Å
601	F	83.3	Confident	80.7	Confident	172 Å²	172	69.1 Å²	69.1	75%	0.754	35%	0.347	S	S	*	.	H	α-helix	trans	-79.1	-28.9	178.5	-82.2	-66.5	0	0	0	114	V597 I598 P603	V597-F601 HydrophobicContact CG1-CD2 3.63Å; V597-F601 HydrophobicContact CG1-CE2 3.63Å; V597-F601 WeakPolarHBondContact O-CD2 3.28Å; V597-F601 PolarHBondContact O-N 2.78Å; V597-F601 VanDerWaalsContact O-N 3.1Å; I598-F601 PolarHBondContact O-N 2.97Å; F601-P603 VanDerWaalsContact O-CD 3.29Å; F601-P603 WeakPolarHBondContact O-CD 3.43Å
602	S	83.9	Confident	79.4	Confident	13 Å²	13	73.5 Å²	73.5	9%	0.091	38%	0.378	C	S	.	.			trans	-76.5	115.4	-179.8	-176.1	0	0	0	0	110.8	I598 Y604 E605 W606 A647	I598-S602 VanDerWaalsContact O-CB 3.31Å; I598-S602 WeakPolarHBondContact O-CB 3.46Å; I598-S602 PolarHBondContact O-N 3.22Å; S602-Y604 PolarHBondContact O-N 2.65Å; S602-E605 PolarHBondContact O-N 3.29Å; S602-W606 VanDerWaalsContact O-CD1 3.3Å; S602-A647 VanDerWaalsContact OG-CB 3.26Å; S602-A647 WeakPolarHBondContact OG-CB 3.41Å
603	P	76.2	Confident	78.1	Confident	93 Å²	93	78.4 Å²	78.4	60%	0.604	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-65.3	-22.4	179.3	25.8	-32.7	0	0	0	112.5	F601 E605 W606	F601-P603 VanDerWaalsContact O-CD 3.29Å; F601-P603 WeakPolarHBondContact O-CD 3.43Å; P603-E605 VanDerWaalsContact C-N 3.3Å; P603-E605 PolarHBondContact O-N 2.96Å; P603-W606 PolarHBondContact O-N 3.06Å
604	Y	77.5	Confident	76.6	Confident	185 Å²	185	82.3 Å²	82.3	73%	0.725	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-78.8	-5.8	-179.2	-57.6	-69.7	0	0	0	114.7	S602	S602-Y604 PolarHBondContact O-N 2.65Å
605	E	80.1	Confident	75.2	Confident	5 Å²	5	82.1 Å²	82.1	2%	0.023	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-90.8	-12.5	172.3	-74.9	-58.9	-169.2	0	0	114.6	S602 P603 P645 K646 A647 T650	S602-E605 PolarHBondContact O-N 3.29Å; P603-E605 VanDerWaalsContact C-N 3.3Å; P603-E605 PolarHBondContact O-N 2.96Å; E605-P645 WeakPolarHBondContact OE1-CA 3.5Å; E605-K646 VanDerWaalsContact CD-N 3.28Å; E605-K646 PolarHBondContact OE1-N 2.89Å; E605-K646 WeakPolarHBondContact OE2-CA 3.42Å; E605-K646 WeakPolarHBondContact OE2-CB 3.45Å; E605-K646 PolarHBondContact OE2-N 3.33Å; E605-A647 HydrophobicContact CG-CB 3.62Å; E605-A647 PolarHBondContact OE1-N 3.14Å; E605-A647 PolarHBondContact OE2-N 2.89Å; E605-T650 HydrophobicContact CG-CG2 4.07Å; E605-T650 WeakPolarHBondContact OE1-CB 3.28Å; E605-T650 PolarHBondContact OE1-OG1 2.76Å
606	W	79.4	Confident	73.9	Confident	65 Å²	65	83.7 Å²	83.7	25%	0.246	45%	0.452	C	S	.	.			trans	-78.5	134.1	175.3	-67.1	88.2	0	0	0	109.7	R600 S602 P603 V619 N621	R600-W606 HydrophobicContact CG-CZ2 4.39Å; R600-W606 VanDerWaalsContact CZ-CZ2 3.42Å; R600-W606 PolarHBondContact O-NE1 3.43Å; S602-W606 VanDerWaalsContact O-CD1 3.3Å; P603-W606 PolarHBondContact O-N 3.06Å; W606-V619 HydrophobicContact CB-CB 4.13Å; W606-V619 HydrophobicContact CB-CG2 4.47Å; W606-V619 HydrophobicContact CD2-CB 4.48Å; W606-V619 HydrophobicContact CD2-CG2 4.15Å; W606-V619 HydrophobicContact CE3-CB 3.76Å; W606-V619 HydrophobicContact CE3-CG2 3.47Å; W606-V619 VanDerWaalsContact CE3-CG2 3.47Å; W606-V619 HydrophobicContact CZ3-CG2 3.96Å; W606-V619 WeakPolarHBondContact CZ3-O 3.27Å; W606-N621 HydrophobicContact CD2-CB 4.13Å; W606-N621 HydrophobicContact CE3-CB 3.91Å; W606-N621 HydrophobicContact CH2-CB 4.18Å; W606-N621 HydrophobicContact CZ2-CB 4.33Å; W606-N621 HydrophobicContact CZ3-CB 3.96Å
607	Y	71.9	Confident	72.5	Confident	63 Å²	63	88.2 Å²	88.2	25%	0.247	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	150.2	175.7	70.1	-88.1	0	0	0	111.1	A609 E620 N622	Y607-A609 PolarHBondContact O-N 2.74Å; Y607-E620 WeakPolarHBondContact CD1-O 3.45Å; Y607-E620 PolarHBondContact N-O 3.39Å; Y607-E620 VanDerWaalsContact N-O 3.11Å; Y607-E620 PolarHBondContact O-N 3.18Å; Y607-N622 WeakPolarHBondContact CE1-ND2 3.49Å; Y607-N622 PolarHBondContact OH-ND2 3.05Å; Y607-N622 PolarHBondContact OH-OD1 3.28Å
608	D	68.4	Low	71.3	Confident	93 Å²	93	89.2 Å²	89.2	50%	0.497	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	118.6	177.8	-62.2	-36.4	0	0	0	109.8	H610 V619	D608-H610 PolarHBondContact O-N 2.83Å; D608-V619 WeakPolarHBondContact OD1-CG1 3.46Å
609	A	64.5	Low	70.5	Confident	27 Å²	27	89.8 Å²	89.8	22%	0.223	49%	0.491	C	S	.	.	S	Bend	trans	-67.5	-23.3	-177.8	0	0	0	0	0	113	Y607 E620	Y607-A609 PolarHBondContact O-N 2.74Å; A609-E620 HydrophobicContact CB-CB 4.31Å; A609-E620 VanDerWaalsContact CB-CD 3.46Å; A609-E620 HydrophobicContact CB-CG 3.82Å
610	H	66.8	Low	69.8	Low	126 Å²	126	94 Å²	94	58%	0.583	51%	0.511	S	S	*	.			trans	-132.2	80.6	-178.2	-64.7	81.1	0	0	0	111.4	D608 C612 N613	D608-H610 PolarHBondContact O-N 2.83Å; H610-C612 PolarHBondContact O-N 2.92Å; H610-N613 PolarHBondContact O-N 3.05Å
611	P	60.8	Low	69.6	Low	114 Å²	114	88.2 Å²	88.2	74%	0.74	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.2	-175.7	-21	32.4	0	0	0	114.3
612	C	63.4	Low	69.4	Low	127 Å²	127	83.5 Å²	83.5	86%	0.858	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-2.1	-176.1	-58.4	0	0	0	0	114.1	H610	H610-C612 PolarHBondContact O-N 2.92Å
613	N	64.6	Low	69.2	Low	105 Å²	105	83.3 Å²	83.3	56%	0.561	47%	0.471	S	S	*	.			trans	-118.9	97.7	-177.9	-154.4	10.3	0	0	0	111	H610 G615 S616	H610-N613 PolarHBondContact O-N 3.05Å; N613-G615 PolarHBondContact O-N 3.34Å; N613-S616 PolarHBondContact O-N 3.28Å; N613-S616 PolarHBondContact O-OG 3.43Å
614	P	58.9	Low	69.5	Low	138 Å²	138	82 Å²	82	90%	0.896	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	12.7	-169.3	-19.5	31.2	0	0	0	117.2
615	G	59.8	Low	69.9	Low	68 Å²	68	76.8 Å²	76.8	70%	0.701	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.6	14.7	-175.3	0	0	0	0	0	115.3	N613	N613-G615 PolarHBondContact O-N 3.34Å
616	S	60.2	Low	70.1	Confident	34 Å²	34	83 Å²	83	24%	0.238	48%	0.478	C	S	.	.			trans	-100.8	111	174.2	60.4	0	0	0	0	111.4	N613 V618	N613-S616 PolarHBondContact O-N 3.28Å; N613-S616 PolarHBondContact O-OG 3.43Å; S616-V618 PolarHBondContact O-N 3.46Å; S616-V618 VanDerWaalsContact O-N 3.09Å
617	D	60.7	Low	70.5	Confident	159 Å²	159	82.6 Å²	82.6	85%	0.85	48%	0.481	S	S	*	.			trans	-76.2	18.6	174.2	-67.6	-26.2	0	0	0	113.5	V619	D617-V619 PolarHBondContact O-N 3.01Å; D617-V619 VanDerWaalsContact O-N 3.16Å
618	V	62.7	Low	71.2	Confident	89 Å²	89	79.6 Å²	79.6	54%	0.539	47%	0.47	S	S	.	.			trans	-86.8	91.5	-175.1	-171.1	0	0	0	0	109.5	S616	S616-V618 PolarHBondContact O-N 3.46Å; S616-V618 VanDerWaalsContact O-N 3.09Å
619	V	68.8	Low	72.2	Confident	65 Å²	65	77.4 Å²	77.4	39%	0.394	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	134	171	-71.4	0	0	0	0	110.9	W606 D608 D617	W606-V619 HydrophobicContact CB-CB 4.13Å; W606-V619 HydrophobicContact CB-CG2 4.47Å; W606-V619 HydrophobicContact CD2-CB 4.48Å; W606-V619 HydrophobicContact CD2-CG2 4.15Å; W606-V619 HydrophobicContact CE3-CB 3.76Å; W606-V619 HydrophobicContact CE3-CG2 3.47Å; W606-V619 VanDerWaalsContact CE3-CG2 3.47Å; W606-V619 HydrophobicContact CZ3-CG2 3.96Å; W606-V619 WeakPolarHBondContact CZ3-O 3.27Å; D608-V619 WeakPolarHBondContact OD1-CG1 3.46Å; D617-V619 PolarHBondContact O-N 3.01Å; D617-V619 VanDerWaalsContact O-N 3.16Å
620	E	71	Confident	73.3	Confident	89 Å²	89	84.3 Å²	84.3	42%	0.416	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	150.6	176.9	-71.7	-175.6	173.7	0	0	111.3	Y607 A609	Y607-E620 WeakPolarHBondContact CD1-O 3.45Å; Y607-E620 PolarHBondContact N-O 3.39Å; Y607-E620 VanDerWaalsContact N-O 3.11Å; Y607-E620 PolarHBondContact O-N 3.18Å; A609-E620 HydrophobicContact CB-CB 4.31Å; A609-E620 VanDerWaalsContact CB-CD 3.46Å; A609-E620 HydrophobicContact CB-CG 3.82Å
621	N	79.3	Confident	74.3	Confident	23 Å²	23	78.4 Å²	78.4	12%	0.123	45%	0.449	C	S	.	.			trans	-129.3	123.2	176	-171.7	-25.3	0	0	0	109.3	A599 W606 F623	A599-N621 PolarHBondContact O-ND2 3.13Å; W606-N621 HydrophobicContact CD2-CB 4.13Å; W606-N621 HydrophobicContact CE3-CB 3.91Å; W606-N621 HydrophobicContact CH2-CB 4.18Å; W606-N621 HydrophobicContact CZ2-CB 4.33Å; W606-N621 HydrophobicContact CZ3-CB 3.96Å; N621-F623 VanDerWaalsContact C-N 3.32Å; N621-F623 PolarHBondContact O-N 3.16Å; N621-F623 PolarHBondContact OD1-N 2.96Å
622	N	77.4	Confident	75.5	Confident	73 Å²	73	73 Å²	73	39%	0.39	41%	0.414	S	S	.	.	S	Bend	trans	-76.4	-16.9	-176.4	-74	-17.6	0	0	0	113.6	Y607 T624 N627 L643	Y607-N622 WeakPolarHBondContact CE1-ND2 3.49Å; Y607-N622 PolarHBondContact OH-ND2 3.05Å; Y607-N622 PolarHBondContact OH-OD1 3.28Å; N622-T624 PolarHBondContact O-N 3.44Å; N622-T624 VanDerWaalsContact O-N 3.15Å; N622-N627 WeakPolarHBondContact O-CB 3.4Å; N622-N627 PolarHBondContact O-ND2 3.29Å; N622-L643 HydrophobicContact CB-CD2 3.9Å
623	F	80.6	Confident	76.7	Confident	8 Å²	8	69.5 Å²	69.5	4%	0.035	39%	0.389	C	S	.	.			trans	-87.6	77.3	178.1	-70.8	-73.8	0	0	0	111.7	L595 A599 N621 F631 L643 P645	L595-F623 HydrophobicContact CD2-CD1 3.38Å; L595-F623 HydrophobicContact CD2-CE1 3.61Å; L595-F623 HydrophobicContact CD2-CG 4.01Å; L595-F623 HydrophobicContact CD2-CZ 4.4Å; A599-F623 HydrophobicContact CB-CB 3.65Å; A599-F623 HydrophobicContact CB-CD2 4.02Å; A599-F623 HydrophobicContact CB-CG 4.02Å; N621-F623 VanDerWaalsContact C-N 3.32Å; N621-F623 PolarHBondContact O-N 3.16Å; N621-F623 PolarHBondContact OD1-N 2.96Å; F623-F631 HydrophobicContact CE1-CB 4.34Å; F623-F631 AromaticContact CE1-CD2 3.99Å; F623-F631 HydrophobicContact CE1-CD2 3.99Å; F623-F631 HydrophobicContact CE1-CG 4.17Å; F623-F631 HydrophobicContact CZ-CD2 4.44Å; F623-L643 HydrophobicContact CE1-CB 4.12Å; F623-L643 HydrophobicContact CZ-CB 4.3Å; F623-P645 HydrophobicContact CE2-CB 4.29Å; F623-P645 HydrophobicContact CZ-CB 4.2Å
624	T	83.6	Confident	77.8	Confident	66 Å²	66	65 Å²	65	41%	0.405	37%	0.366	S	S	.	.			trans	-75	160.8	161	67.7	0	0	0	0	110.3	N622 L626 N627 S628	N622-T624 PolarHBondContact O-N 3.44Å; N622-T624 VanDerWaalsContact O-N 3.15Å; T624-L626 PolarHBondContact O-N 3.35Å; T624-N627 CarbonylContact O-C 3.52Å; T624-N627 WeakPolarHBondContact O-CA 3.21Å; T624-N627 PolarHBondContact O-N 3.13Å; T624-N627 VanDerWaalsContact OG1-CB 3.3Å; T624-N627 WeakPolarHBondContact OG1-CB 3.38Å; T624-N627 PolarHBondContact OG1-N 3.39Å; T624-N627 PolarHBondContact OG1-ND2 2.97Å; T624-S628 PolarHBondContact O-N 3.27Å; T624-S628 PolarHBondContact O-OG 3.32Å
625	L	84.3	Confident	79	Confident	75 Å²	75	58.8 Å²	58.8	39%	0.393	33%	0.327	S	S	.	.	H	α-helix	trans	-53.6	-41.8	-179.7	-176.1	68.8	0	0	0	112.3	F596 S628 F629	F596-L625 HydrophobicContact CB-CD1 4.17Å; F596-L625 HydrophobicContact CD1-CD1 3.99Å; F596-L625 HydrophobicContact CD2-CB 4.08Å; F596-L625 HydrophobicContact CE2-CB 4.13Å; F596-L625 HydrophobicContact CG-CB 4.37Å; F596-L625 HydrophobicContact CG-CD1 3.96Å; F596-L625 HydrophobicContact CZ-CB 4.45Å; L625-S628 PolarHBondContact O-N 2.54Å; L625-F629 HydrophobicContact CD1-CE2 3.89Å; L625-F629 HydrophobicContact CD1-CZ 4.2Å; L625-F629 HydrophobicContact CD2-CE2 4.14Å; L625-F629 HydrophobicContact CG-CD2 4.14Å; L625-F629 HydrophobicContact CG-CE2 3.64Å; L625-F629 HydrophobicContact CG-CZ 4.42Å; L625-F629 WeakPolarHBondContact O-CD2 3.49Å; L625-F629 PolarHBondContact O-N 3.32Å
626	L	85.9	Confident	80.3	Confident	135 Å²	135	57.2 Å²	57.2	71%	0.707	30%	0.302	S	S	*	.	H	α-helix	trans	-67.2	-41.2	175.6	-69.5	170.3	0	0	0	112.2	T624 S628 F629 W630	T624-L626 PolarHBondContact O-N 3.35Å; L626-S628 VanDerWaalsContact C-N 3.31Å; L626-S628 PolarHBondContact O-N 3.12Å; L626-F629 PolarHBondContact O-N 3.14Å; L626-W630 WeakPolarHBondContact O-CB 3.06Å; L626-W630 PolarHBondContact O-N 3.21Å
627	N	86.3	Confident	81.6	Confident	58 Å²	58	61.2 Å²	61.2	31%	0.31	32%	0.318	S	S	.	.	H	α-helix	trans	-67.3	-31.8	176.3	-71.3	-4.6	0	0	0	112	N622 T624 W630 F631 L643	N622-N627 WeakPolarHBondContact O-CB 3.4Å; N622-N627 PolarHBondContact O-ND2 3.29Å; T624-N627 CarbonylContact O-C 3.52Å; T624-N627 WeakPolarHBondContact O-CA 3.21Å; T624-N627 PolarHBondContact O-N 3.13Å; T624-N627 VanDerWaalsContact OG1-CB 3.3Å; T624-N627 WeakPolarHBondContact OG1-CB 3.38Å; T624-N627 PolarHBondContact OG1-N 3.39Å; T624-N627 PolarHBondContact OG1-ND2 2.97Å; N627-W630 PolarHBondContact O-N 3Å; N627-F631 WeakPolarHBondContact O-CB 3.46Å; N627-F631 PolarHBondContact O-N 3Å; N627-L643 HydrophobicContact CB-CD1 3.66Å; N627-L643 WeakPolarHBondContact O-CD1 3.44Å
628	S	87.3	Confident	82.7	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-70.9	-35.2	172.5	-62	0	0	0	0	112.4	S592 T624 L625 L626 G632	S592-S628 WeakPolarHBondContact O-CB 3.25Å; S592-S628 PolarHBondContact OG-O 3.25Å; T624-S628 PolarHBondContact O-N 3.27Å; T624-S628 PolarHBondContact O-OG 3.32Å; L625-S628 PolarHBondContact O-N 2.54Å; L626-S628 VanDerWaalsContact C-N 3.31Å; L626-S628 PolarHBondContact O-N 3.12Å; S628-G632 PolarHBondContact O-N 3.25Å; S628-G632 VanDerWaalsContact O-N 3.13Å
629	F	89.5	Confident	83.7	Confident	46 Å²	46	63.9 Å²	63.9	20%	0.202	32%	0.319	C	S	.	.	H	α-helix	trans	-66.8	-40.6	169.3	-75.4	-50.3	0	0	0	111.8	Y588 L589 L625 L626 G632 V633	Y588-F629 HydrophobicContact CE1-CD1 4.21Å; Y588-F629 AromaticContact CZ-CD1 3.87Å; Y588-F629 WeakPolarHBondContact OH-CB 3.42Å; Y588-F629 WeakPolarHBondContact OH-CD1 3.44Å; Y588-F629 PolarHBondContact OH-O 3.33Å; L589-F629 HydrophobicContact CD2-CD1 4.42Å; L589-F629 HydrophobicContact CD2-CE1 3.69Å; L589-F629 HydrophobicContact CD2-CZ 4.27Å; L625-F629 HydrophobicContact CD1-CE2 3.89Å; L625-F629 HydrophobicContact CD1-CZ 4.2Å; L625-F629 HydrophobicContact CD2-CE2 4.14Å; L625-F629 HydrophobicContact CG-CD2 4.14Å; L625-F629 HydrophobicContact CG-CE2 3.64Å; L625-F629 HydrophobicContact CG-CZ 4.42Å; L625-F629 WeakPolarHBondContact O-CD2 3.49Å; L625-F629 PolarHBondContact O-N 3.32Å; L626-F629 PolarHBondContact O-N 3.14Å; F629-G632 PolarHBondContact O-N 3.48Å; F629-V633 WeakPolarHBondContact O-CG2 3.45Å; F629-V633 PolarHBondContact O-N 3.27Å
630	W	88.1	Confident	84.2	Confident	172 Å²	172	62.9 Å²	62.9	65%	0.652	32%	0.322	S	S	*	.	H	α-helix	trans	-64.3	-42.6	176.1	-168.9	-111	0	0	0	112.2	L626 N627 G632 V633 G634	L626-W630 WeakPolarHBondContact O-CB 3.06Å; L626-W630 PolarHBondContact O-N 3.21Å; N627-W630 PolarHBondContact O-N 3Å; W630-G632 VanDerWaalsContact C-N 3.32Å; W630-G632 PolarHBondContact O-N 3.01Å; W630-V633 PolarHBondContact O-N 2.96Å; W630-G634 PolarHBondContact O-N 3.14Å
631	F	87.1	Confident	84.6	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.009	31%	0.314	C	S	.	.	H	α-helix	trans	-57	-44.7	172	179.8	-88	0	0	0	111.8	L595 F623 N627 S635 S641 L643 W658	L595-F631 HydrophobicContact CD1-CD1 3.58Å; L595-F631 HydrophobicContact CD1-CE1 3.54Å; L595-F631 HydrophobicContact CD1-CG 4.46Å; L595-F631 HydrophobicContact CD1-CZ 4.41Å; F623-F631 HydrophobicContact CE1-CB 4.34Å; F623-F631 AromaticContact CE1-CD2 3.99Å; F623-F631 HydrophobicContact CE1-CD2 3.99Å; F623-F631 HydrophobicContact CE1-CG 4.17Å; F623-F631 HydrophobicContact CZ-CD2 4.44Å; N627-F631 WeakPolarHBondContact O-CB 3.46Å; N627-F631 PolarHBondContact O-N 3Å; F631-S635 PolarHBondContact O-N 3.41Å; F631-S635 PolarHBondContact O-OG 3.1Å; F631-S641 WeakPolarHBondContact CD2-OG 3.42Å; F631-S641 WeakPolarHBondContact CE2-OG 3.36Å; F631-L643 HydrophobicContact CD2-CB 4.37Å; F631-W658 HydrophobicContact CZ-CZ2 4.42Å
632	G	86.9	Confident	84.4	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.01	35%	0.354	C	S	.	.	H	α-helix	trans	-64.6	-39.1	177.8	0	0	0	0	0	113.6	S628 F629 W630 S635 L636	S628-G632 PolarHBondContact O-N 3.25Å; S628-G632 VanDerWaalsContact O-N 3.13Å; F629-G632 PolarHBondContact O-N 3.48Å; W630-G632 VanDerWaalsContact C-N 3.32Å; W630-G632 PolarHBondContact O-N 3.01Å; G632-S635 WeakPolarHBondContact CA-OG 3.27Å; G632-S635 PolarHBondContact O-OG 3.47Å; G632-L636 WeakPolarHBondContact O-CB 3.5Å; G632-L636 PolarHBondContact O-N 2.81Å; G632-L636 VanDerWaalsContact O-N 3.16Å
633	V	88.1	Confident	84.3	Confident	54 Å²	54	66.8 Å²	66.8	33%	0.327	34%	0.342	S	S	.	.	H	α-helix	trans	-71.8	-45.1	177.1	173.7	0	0	0	0	111.3	Y588 F629 W630 S635 L636 M637	Y588-V633 HydrophobicContact CE2-CG2 3.62Å; Y588-V633 VanDerWaalsContact OH-CG2 3.27Å; Y588-V633 WeakPolarHBondContact OH-CG2 3.38Å; F629-V633 WeakPolarHBondContact O-CG2 3.45Å; F629-V633 PolarHBondContact O-N 3.27Å; W630-V633 PolarHBondContact O-N 2.96Å; V633-S635 PolarHBondContact O-N 2.98Å; V633-L636 PolarHBondContact O-N 3.3Å; V633-L636 VanDerWaalsContact O-N 3.12Å; V633-M637 HydrophobicContact CG1-CG 4.23Å; V633-M637 WeakPolarHBondContact O-CG 3.35Å; V633-M637 PolarHBondContact O-N 2.72Å
634	G	87.1	Confident	84.2	Confident	9 Å²	9	73.2 Å²	73.2	9%	0.093	37%	0.374	C	S	.	.	H	α-helix	trans	-61.3	-32.2	-179.4	0	0	0	0	0	113.1	W630 Q638 Q639 G640	W630-G634 PolarHBondContact O-N 3.14Å; G634-Q638 PolarHBondContact O-N 2.65Å; G634-Q639 PolarHBondContact O-N 3.48Å; G634-Q639 VanDerWaalsContact O-N 3.09Å; G634-G640 PolarHBondContact O-N 3.24Å; G634-G640 VanDerWaalsContact O-N 3.11Å
635	S	84.9	Confident	84.1	Confident	9 Å²	9	70.5 Å²	70.5	6%	0.063	36%	0.358	C	S	.	.	H	α-helix	trans	-78.9	-32.9	174	45.4	0	0	0	0	113.9	F631 G632 V633 W657 T661	F631-S635 PolarHBondContact O-N 3.41Å; F631-S635 PolarHBondContact O-OG 3.1Å; G632-S635 WeakPolarHBondContact CA-OG 3.27Å; G632-S635 PolarHBondContact O-OG 3.47Å; V633-S635 PolarHBondContact O-N 2.98Å; S635-W657 PolarHBondContact OG-NE1 2.74Å; S635-T661 PolarHBondContact O-OG1 3.21Å
636	L	87.3	Confident	83.8	Confident	35 Å²	35	71.7 Å²	71.7	18%	0.183	36%	0.36	C	S	.	.	H	α-helix	trans	-70	-32	172.3	-174	67.5	0	0	0	112.1	G632 V633 T661 I665	G632-L636 WeakPolarHBondContact O-CB 3.5Å; G632-L636 PolarHBondContact O-N 2.81Å; G632-L636 VanDerWaalsContact O-N 3.16Å; V633-L636 PolarHBondContact O-N 3.3Å; V633-L636 VanDerWaalsContact O-N 3.12Å; L636-T661 HydrophobicContact CB-CG2 4.4Å; L636-T661 HydrophobicContact CD1-CG2 3.88Å; L636-I665 WeakPolarHBondContact O-CD1 3.38Å
637	M	87.3	Confident	83.8	Confident	117 Å²	117	65.4 Å²	65.4	58%	0.576	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	4.5	178.4	-66	-68	104.1	0	0	114	V633 Q639	V633-M637 HydrophobicContact CG1-CG 4.23Å; V633-M637 WeakPolarHBondContact O-CG 3.35Å; V633-M637 PolarHBondContact O-N 2.72Å; M637-Q639 PolarHBondContact O-N 3.01Å; M637-Q639 VanDerWaalsContact O-N 3.13Å
638	Q	83.8	Confident	83.8	Confident	129 Å²	129	69 Å²	69	60%	0.603	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	18.1	-177.2	-58.7	-178.1	0.4	0	0	115.8	G634 I665	G634-Q638 PolarHBondContact O-N 2.65Å; Q638-I665 HydrophobicContact CG-CD1 3.66Å; Q638-I665 VanDerWaalsContact NE2-CG2 3.31Å
639	Q	82.8	Confident	83.8	Confident	175 Å²	175	71.2 Å²	71.2	82%	0.818	36%	0.361	S	S	*	.	S	Bend	trans	-90.5	-14.1	178.8	-68.2	-178.4	0.4	0	0	112.7	G634 M637	G634-Q639 PolarHBondContact O-N 3.48Å; G634-Q639 VanDerWaalsContact O-N 3.09Å; M637-Q639 PolarHBondContact O-N 3.01Å; M637-Q639 VanDerWaalsContact O-N 3.13Å
640	G	78.8	Confident	83.6	Confident	44 Å²	44	69 Å²	69	45%	0.454	35%	0.352	S	S	.	.			trans	76.4	177.2	-173.2	0	0	0	0	0	111.8	G634	G634-G640 PolarHBondContact O-N 3.24Å; G634-G640 VanDerWaalsContact O-N 3.11Å
641	S	80.4	Confident	83.7	Confident	34 Å²	34	67 Å²	67	24%	0.238	34%	0.344	C	S	.	.			trans	-133	143.9	175.1	58.3	0	0	0	0	109.4	F631 L643	F631-S641 WeakPolarHBondContact CD2-OG 3.42Å; F631-S641 WeakPolarHBondContact CE2-OG 3.36Å; S641-L643 PolarHBondContact O-N 3.02Å; S641-L643 VanDerWaalsContact O-N 3.16Å; S641-L643 PolarHBondContact OG-O 2.75Å
642	E	74.9	Confident	83.8	Confident	205 Å²	205	71.5 Å²	71.5	96%	0.958	37%	0.367	S	S	*	.	S	Bend	trans	-63.8	-17.9	172.4	-62.1	-176.8	167.6	0	0	112.3	M644	E642-M644 PolarHBondContact O-N 3.31Å
643	L	76.1	Confident	84	Confident	29 Å²	29	73 Å²	73	15%	0.152	37%	0.374	C	S	.	.			trans	-79.7	114.6	176.6	-59.4	165.9	0	0	0	110.1	N622 F623 N627 F631 S641	N622-L643 HydrophobicContact CB-CD2 3.9Å; F623-L643 HydrophobicContact CE1-CB 4.12Å; F623-L643 HydrophobicContact CZ-CB 4.3Å; N627-L643 HydrophobicContact CB-CD1 3.66Å; N627-L643 WeakPolarHBondContact O-CD1 3.44Å; F631-L643 HydrophobicContact CD2-CB 4.37Å; S641-L643 PolarHBondContact O-N 3.02Å; S641-L643 VanDerWaalsContact O-N 3.16Å; S641-L643 PolarHBondContact OG-O 2.75Å
644	M	77.2	Confident	83.9	Confident	142 Å²	142	70.5 Å²	70.5	70%	0.7	36%	0.36	S	S	*	.			trans	-110.2	121.4	179.5	-174.2	167	64.8	0	0	111.2	E642 K646	E642-M644 PolarHBondContact O-N 3.31Å; M644-K646 PolarHBondContact O-N 3.3Å
645	P	83	Confident	84	Confident	10 Å²	10	71.8 Å²	71.8	7%	0.065	37%	0.373	C	S	.	.			trans	-67.1	127.3	174.1	25.8	-31.1	0	0	0	111.1	E605 F623 T650 R651	E605-P645 WeakPolarHBondContact OE1-CA 3.5Å; F623-P645 HydrophobicContact CE2-CB 4.29Å; F623-P645 HydrophobicContact CZ-CB 4.2Å; P645-T650 WeakPolarHBondContact CB-OG1 3.3Å; P645-R651 HydrophobicContact CB-CG 4.13Å; P645-R651 HydrophobicContact CG-CG 4.05Å; P645-R651 WeakPolarHBondContact O-CG 3.46Å; P645-R651 PolarHBondContact O-NE 3.42Å
646	K	78.3	Confident	84.3	Confident	100 Å²	100	76.7 Å²	76.7	44%	0.435	40%	0.397	S	S	.	.			trans	-92.8	-36.5	178.4	-54	177.1	177.4	173.2	0	111.8	E605 M644 R651	E605-K646 VanDerWaalsContact CD-N 3.28Å; E605-K646 PolarHBondContact OE1-N 2.89Å; E605-K646 WeakPolarHBondContact OE2-CA 3.42Å; E605-K646 WeakPolarHBondContact OE2-CB 3.45Å; E605-K646 PolarHBondContact OE2-N 3.33Å; M644-K646 PolarHBondContact O-N 3.3Å; K646-R651 PolarHBondContact O-NE 2.87Å; K646-R651 PolarHBondContact O-NH2 3.17Å
647	A	85.4	Confident	84.5	Confident	3 Å²	3	75.3 Å²	75.3	3%	0.025	39%	0.389	C	S	.	.	S	Bend	trans	-74.6	151.2	-178.3	0	0	0	0	0	112.4	S602 E605 S649 T650 R651	S602-A647 VanDerWaalsContact OG-CB 3.26Å; S602-A647 WeakPolarHBondContact OG-CB 3.41Å; E605-A647 HydrophobicContact CG-CB 3.62Å; E605-A647 PolarHBondContact OE1-N 3.14Å; E605-A647 PolarHBondContact OE2-N 2.89Å; A647-S649 VanDerWaalsContact C-N 3.34Å; A647-S649 PolarHBondContact O-N 3.11Å; A647-T650 PolarHBondContact O-OG1 2.82Å; A647-R651 WeakPolarHBondContact O-CB 3.37Å; A647-R651 VanDerWaalsContact O-CG 3.22Å; A647-R651 WeakPolarHBondContact O-CG 3.29Å; A647-R651 PolarHBondContact O-N 3.21Å; A647-R651 VanDerWaalsContact O-N 3.1Å
648	L	85.6	Confident	84.7	Confident	132 Å²	132	76.3 Å²	76.3	69%	0.691	39%	0.387	S	S	*	.	H	α-helix	trans	-64.4	-39.3	-180	-173.4	68.2	0	0	0	112.1	R651 I652	L648-R651 PolarHBondContact O-N 2.82Å; L648-I652 HydrophobicContact CG-CD1 4.17Å; L648-I652 WeakPolarHBondContact O-CG1 2.77Å; L648-I652 PolarHBondContact O-N 3.06Å
649	S	86.6	Confident	85.1	Confident	48 Å²	48	76.7 Å²	76.7	34%	0.336	39%	0.387	S	S	.	.	H	α-helix	trans	-63.8	-44.9	-178.5	48.9	0	0	0	0	112.9	A647 I652 I653	A647-S649 VanDerWaalsContact C-N 3.34Å; A647-S649 PolarHBondContact O-N 3.11Å; S649-I652 PolarHBondContact O-N 3Å; S649-I653 WeakPolarHBondContact O-CD1 3.36Å; S649-I653 WeakPolarHBondContact O-CG1 3.38Å; S649-I653 PolarHBondContact O-N 3.21Å
650	T	86.4	Confident	85.5	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-70	-35.3	176.5	49.5	0	0	0	0	111.8	I598 A599 E605 P645 A647 I653 G654	I598-T650 HydrophobicContact CG2-CG2 4.05Å; A599-T650 HydrophobicContact CB-CG2 4.11Å; E605-T650 HydrophobicContact CG-CG2 4.07Å; E605-T650 WeakPolarHBondContact OE1-CB 3.28Å; E605-T650 PolarHBondContact OE1-OG1 2.76Å; P645-T650 WeakPolarHBondContact CB-OG1 3.3Å; A647-T650 PolarHBondContact O-OG1 2.82Å; T650-I653 PolarHBondContact O-N 3.3Å; T650-G654 PolarHBondContact O-N 2.77Å
651	R	89	Confident	86.1	Confident	130 Å²	130	70.1 Å²	70.1	49%	0.491	34%	0.343	S	S	.	.	H	α-helix	trans	-63.6	-39.3	173.1	-76.2	174.4	-179.8	-177	2.4	113.2	P645 K646 A647 L648 G654 G655	P645-R651 HydrophobicContact CB-CG 4.13Å; P645-R651 HydrophobicContact CG-CG 4.05Å; P645-R651 WeakPolarHBondContact O-CG 3.46Å; P645-R651 PolarHBondContact O-NE 3.42Å; K646-R651 PolarHBondContact O-NE 2.87Å; K646-R651 PolarHBondContact O-NH2 3.17Å; A647-R651 WeakPolarHBondContact O-CB 3.37Å; A647-R651 VanDerWaalsContact O-CG 3.22Å; A647-R651 WeakPolarHBondContact O-CG 3.29Å; A647-R651 PolarHBondContact O-N 3.21Å; A647-R651 VanDerWaalsContact O-N 3.1Å; L648-R651 PolarHBondContact O-N 2.82Å; R651-G654 PolarHBondContact O-N 3.12Å; R651-G655 PolarHBondContact O-N 3.31Å
652	I	90.3	Very high	86.6	Confident	95 Å²	95	73.1 Å²	73.1	49%	0.487	36%	0.357	S	S	.	.	H	α-helix	trans	-64.4	-44.7	176.8	-69.2	165.2	0	0	0	110.4	L648 S649 G655 I656	L648-I652 HydrophobicContact CG-CD1 4.17Å; L648-I652 WeakPolarHBondContact O-CG1 2.77Å; L648-I652 PolarHBondContact O-N 3.06Å; S649-I652 PolarHBondContact O-N 3Å; I652-G655 PolarHBondContact O-N 3.44Å; I652-I656 HydrophobicContact CG2-CD1 3.9Å; I652-I656 WeakPolarHBondContact O-CG1 3.26Å; I652-I656 PolarHBondContact O-N 2.83Å
653	I	90	Very high	87.4	Confident	33 Å²	33	67.4 Å²	67.4	17%	0.169	33%	0.331	C	S	.	.	H	α-helix	trans	-62.9	-46.9	177.3	-64.6	159.4	0	0	0	110.7	V591 V594 L595 I598 S649 T650 G655 I656 W657	V591-I653 HydrophobicContact CG1-CG2 4.22Å; V594-I653 HydrophobicContact CG1-CD1 4.19Å; L595-I653 HydrophobicContact CD1-CG2 4.48Å; I598-I653 HydrophobicContact CB-CD1 4.2Å; I598-I653 HydrophobicContact CD1-CD1 3.37Å; I598-I653 HydrophobicContact CG1-CD1 4.34Å; I598-I653 HydrophobicContact CG2-CD1 4.08Å; S649-I653 WeakPolarHBondContact O-CD1 3.36Å; S649-I653 WeakPolarHBondContact O-CG1 3.38Å; S649-I653 PolarHBondContact O-N 3.21Å; T650-I653 PolarHBondContact O-N 3.3Å; I653-G655 VanDerWaalsContact C-N 3.33Å; I653-G655 PolarHBondContact O-N 3.26Å; I653-I656 PolarHBondContact O-N 3.17Å; I653-W657 VanDerWaalsContact O-CB 3.3Å; I653-W657 WeakPolarHBondContact O-CB 3.46Å; I653-W657 PolarHBondContact O-N 2.88Å
654	G	87.6	Confident	88.1	Confident	2 Å²	2	67.7 Å²	67.7	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-59.6	-42.5	175.6	0	0	0	0	0	112.5	T650 R651 W657 W658	T650-G654 PolarHBondContact O-N 2.77Å; R651-G654 PolarHBondContact O-N 3.12Å; G654-W657 PolarHBondContact O-N 3.39Å; G654-W658 WeakPolarHBondContact O-CB 3.49Å; G654-W658 PolarHBondContact O-N 2.68Å
655	G	88.8	Confident	88.8	Confident	35 Å²	35	62.7 Å²	62.7	36%	0.361	31%	0.309	S	S	.	.	H	α-helix	trans	-65.6	-43.5	178.3	0	0	0	0	0	113.5	R651 I652 I653 W658 F659	R651-G655 PolarHBondContact O-N 3.31Å; I652-G655 PolarHBondContact O-N 3.44Å; I653-G655 VanDerWaalsContact C-N 3.33Å; I653-G655 PolarHBondContact O-N 3.26Å; G655-W658 PolarHBondContact O-N 3.29Å; G655-F659 PolarHBondContact O-N 2.7Å
656	I	91.8	Very high	89.1	Confident	112 Å²	112	65 Å²	65	57%	0.574	33%	0.325	S	S	*	.	H	α-helix	trans	-65.7	-41.3	175.3	-67.4	169.8	0	0	0	110.4	I652 I653 F659 F660	I652-I656 HydrophobicContact CG2-CD1 3.9Å; I652-I656 WeakPolarHBondContact O-CG1 3.26Å; I652-I656 PolarHBondContact O-N 2.83Å; I653-I656 PolarHBondContact O-N 3.17Å; I656-F659 PolarHBondContact O-N 3.03Å; I656-F660 WeakPolarHBondContact O-CB 3.49Å; I656-F660 PolarHBondContact O-N 2.97Å
657	W	91.5	Very high	89.7	Confident	7 Å²	7	62.7 Å²	62.7	3%	0.027	32%	0.321	C	S	.	.	H	α-helix	trans	-62.1	-44.4	175.8	177.7	-113.2	0	0	0	112	A587 Y588 V591 S635 I653 G654 F659 F660 T661	A587-W657 HydrophobicContact CB-CZ3 4.39Å; Y588-W657 HydrophobicContact CD2-CZ2 4.37Å; V591-W657 HydrophobicContact CB-CD2 4.32Å; V591-W657 HydrophobicContact CB-CE3 4.01Å; V591-W657 HydrophobicContact CB-CZ3 4.31Å; V591-W657 HydrophobicContact CG1-CB 4.06Å; V591-W657 HydrophobicContact CG1-CD2 3.87Å; V591-W657 HydrophobicContact CG1-CE3 4Å; V591-W657 HydrophobicContact CG1-CG 3.91Å; V591-W657 HydrophobicContact CG2-CD2 4.39Å; V591-W657 HydrophobicContact CG2-CE3 3.66Å; V591-W657 HydrophobicContact CG2-CZ3 3.97Å; S635-W657 PolarHBondContact OG-NE1 2.74Å; I653-W657 VanDerWaalsContact O-CB 3.3Å; I653-W657 WeakPolarHBondContact O-CB 3.46Å; I653-W657 PolarHBondContact O-N 2.88Å; G654-W657 PolarHBondContact O-N 3.39Å; W657-F659 VanDerWaalsContact C-N 3.32Å; W657-F659 PolarHBondContact O-N 2.68Å; W657-F660 AromaticContact CE3-CD1 3.86Å; W657-F660 HydrophobicContact CE3-CD1 3.86Å; W657-F660 HydrophobicContact CH2-CD1 4.37Å; W657-F660 HydrophobicContact CH2-CE1 4.44Å; W657-F660 AromaticContact CZ3-CD1 3.61Å; W657-F660 HydrophobicContact CZ3-CD1 3.61Å; W657-F660 AromaticContact CZ3-CE1 3.86Å; W657-F660 HydrophobicContact CZ3-CE1 3.86Å; W657-F660 WeakPolarHBondContact O-CB 3.43Å; W657-F660 PolarHBondContact O-N 3.24Å; W657-T661 HydrophobicContact CD2-CG2 3.91Å; W657-T661 VanDerWaalsContact CE2-CG2 3.49Å; W657-T661 HydrophobicContact CE3-CG2 4.38Å; W657-T661 HydrophobicContact CG-CG2 4.41Å; W657-T661 HydrophobicContact CH2-CG2 4.19Å; W657-T661 HydrophobicContact CZ2-CG2 3.65Å; W657-T661 WeakPolarHBondContact O-CG2 3.3Å; W657-T661 PolarHBondContact O-N 2.77Å; W657-T661 PolarHBondContact O-OG1 3.27Å
658	W	90.4	Very high	90	Very high	137 Å²	137	64.9 Å²	64.9	52%	0.519	33%	0.329	S	S	.	.	H	α-helix	trans	-60.7	-40	175	-69.2	-10.4	0	0	0	112.8	F631 G654 G655 T661 L662	F631-W658 HydrophobicContact CZ-CZ2 4.42Å; G654-W658 WeakPolarHBondContact O-CB 3.49Å; G654-W658 PolarHBondContact O-N 2.68Å; G655-W658 PolarHBondContact O-N 3.29Å; W658-T661 PolarHBondContact O-OG1 3.05Å; W658-T661 VanDerWaalsContact O-OG1 3.14Å; W658-L662 VanDerWaalsContact O-CB 3.27Å; W658-L662 WeakPolarHBondContact O-CB 3.39Å; W658-L662 PolarHBondContact O-N 3.12Å
659	F	91.6	Very high	90.2	Very high	137 Å²	137	62.3 Å²	62.3	60%	0.601	32%	0.319	S	S	*	.	H	α-helix	trans	-65	-42.6	175.1	-175.7	-109.2	0	0	0	111.8	G655 I656 W657 L662 I663	G655-F659 PolarHBondContact O-N 2.7Å; I656-F659 PolarHBondContact O-N 3.03Å; W657-F659 VanDerWaalsContact C-N 3.32Å; W657-F659 PolarHBondContact O-N 2.68Å; F659-L662 PolarHBondContact O-N 3.1Å; F659-I663 HydrophobicContact CD1-CD1 3.88Å; F659-I663 HydrophobicContact CE1-CD1 3.41Å; F659-I663 VanDerWaalsContact CE1-CD1 3.41Å; F659-I663 HydrophobicContact CE2-CD1 4.24Å; F659-I663 HydrophobicContact CG-CD1 4.49Å; F659-I663 HydrophobicContact CZ-CD1 3.61Å; F659-I663 HydrophobicContact CZ-CG1 4.46Å; F659-I663 WeakPolarHBondContact O-CG1 3.32Å; F659-I663 PolarHBondContact O-N 3.42Å; F659-I663 VanDerWaalsContact O-N 3.16Å
660	F	91.9	Very high	90.3	Very high	75 Å²	75	62.7 Å²	62.7	33%	0.329	33%	0.325	S	S	.	.	H	α-helix	trans	-62.1	-48.7	175.9	176.7	-99.3	0	0	0	112.1	A587 I656 W657 L662 I663 I664	A587-F660 HydrophobicContact CB-CE1 4.4Å; I656-F660 WeakPolarHBondContact O-CB 3.49Å; I656-F660 PolarHBondContact O-N 2.97Å; W657-F660 AromaticContact CE3-CD1 3.86Å; W657-F660 HydrophobicContact CE3-CD1 3.86Å; W657-F660 HydrophobicContact CH2-CD1 4.37Å; W657-F660 HydrophobicContact CH2-CE1 4.44Å; W657-F660 AromaticContact CZ3-CD1 3.61Å; W657-F660 HydrophobicContact CZ3-CD1 3.61Å; W657-F660 AromaticContact CZ3-CE1 3.86Å; W657-F660 HydrophobicContact CZ3-CE1 3.86Å; W657-F660 WeakPolarHBondContact O-CB 3.43Å; W657-F660 PolarHBondContact O-N 3.24Å; F660-L662 VanDerWaalsContact C-N 3.33Å; F660-L662 PolarHBondContact O-N 3.33Å; F660-I663 PolarHBondContact O-N 2.86Å; F660-I664 HydrophobicContact CD1-CG1 4.35Å; F660-I664 HydrophobicContact CD2-CG1 4.45Å; F660-I664 HydrophobicContact CE1-CG1 3.94Å; F660-I664 HydrophobicContact CE2-CD1 4.24Å; F660-I664 HydrophobicContact CE2-CG1 4.05Å; F660-I664 HydrophobicContact CZ-CD1 4.1Å; F660-I664 HydrophobicContact CZ-CG1 3.77Å; F660-I664 WeakPolarHBondContact O-CG1 3.27Å; F660-I664 PolarHBondContact O-N 3.27Å
661	T	91	Very high	90.3	Very high	6 Å²	6	66.2 Å²	66.2	4%	0.037	34%	0.344	C	S	.	.	H	α-helix	trans	-64.3	-37.8	179.5	59.8	0	0	0	0	111.8	S635 L636 W657 W658 I663 I664 I665	S635-T661 PolarHBondContact O-OG1 3.21Å; L636-T661 HydrophobicContact CB-CG2 4.4Å; L636-T661 HydrophobicContact CD1-CG2 3.88Å; W657-T661 HydrophobicContact CD2-CG2 3.91Å; W657-T661 VanDerWaalsContact CE2-CG2 3.49Å; W657-T661 HydrophobicContact CE3-CG2 4.38Å; W657-T661 HydrophobicContact CG-CG2 4.41Å; W657-T661 HydrophobicContact CH2-CG2 4.19Å; W657-T661 HydrophobicContact CZ2-CG2 3.65Å; W657-T661 WeakPolarHBondContact O-CG2 3.3Å; W657-T661 PolarHBondContact O-N 2.77Å; W657-T661 PolarHBondContact O-OG1 3.27Å; W658-T661 PolarHBondContact O-OG1 3.05Å; W658-T661 VanDerWaalsContact O-OG1 3.14Å; T661-I663 PolarHBondContact O-N 3.48Å; T661-I664 PolarHBondContact O-N 2.79Å; T661-I665 WeakPolarHBondContact O-CB 3.38Å; T661-I665 WeakPolarHBondContact O-CD1 3.42Å; T661-I665 WeakPolarHBondContact O-CG1 3.5Å; T661-I665 PolarHBondContact O-N 3.4Å
662	L	90.4	Very high	90	Very high	98 Å²	98	62 Å²	62	51%	0.513	33%	0.331	S	S	.	.	H	α-helix	trans	-59.1	-46.4	174.9	-173.5	159.9	0	0	0	111.7	W658 F659 F660 S666	W658-L662 VanDerWaalsContact O-CB 3.27Å; W658-L662 WeakPolarHBondContact O-CB 3.39Å; W658-L662 PolarHBondContact O-N 3.12Å; F659-L662 PolarHBondContact O-N 3.1Å; F660-L662 VanDerWaalsContact C-N 3.33Å; F660-L662 PolarHBondContact O-N 3.33Å; L662-S666 VanDerWaalsContact O-CB 3.26Å; L662-S666 WeakPolarHBondContact O-CB 3.16Å; L662-S666 PolarHBondContact O-N 3.45Å; L662-S666 PolarHBondContact O-OG 3.44Å
663	I	92.3	Very high	89.4	Confident	84 Å²	84	60.1 Å²	60.1	43%	0.431	33%	0.33	S	S	.	.	H	α-helix	trans	-63.2	-47.9	178.4	-69	171.2	0	0	0	110.8	F659 F660 T661 I665 S666 S667	F659-I663 HydrophobicContact CD1-CD1 3.88Å; F659-I663 HydrophobicContact CE1-CD1 3.41Å; F659-I663 VanDerWaalsContact CE1-CD1 3.41Å; F659-I663 HydrophobicContact CE2-CD1 4.24Å; F659-I663 HydrophobicContact CG-CD1 4.49Å; F659-I663 HydrophobicContact CZ-CD1 3.61Å; F659-I663 HydrophobicContact CZ-CG1 4.46Å; F659-I663 WeakPolarHBondContact O-CG1 3.32Å; F659-I663 PolarHBondContact O-N 3.42Å; F659-I663 VanDerWaalsContact O-N 3.16Å; F660-I663 PolarHBondContact O-N 2.86Å; T661-I663 PolarHBondContact O-N 3.48Å; I663-I665 PolarHBondContact O-N 3.22Å; I663-S666 PolarHBondContact O-N 2.92Å; I663-S667 WeakPolarHBondContact O-CB 3.23Å; I663-S667 PolarHBondContact O-N 3.32Å
664	I	91.6	Very high	88.9	Confident	36 Å²	36	61.1 Å²	61.1	19%	0.185	34%	0.343	C	S	.	.	H	α-helix	trans	-62	-45.8	-177.6	-68.7	-64.6	0	0	0	111.3	M576 I584 F660 T661 S667 Y668	M576-I664 HydrophobicContact CE-CG2 4.48Å; I584-I664 HydrophobicContact CD1-CG2 3.78Å; I584-I664 HydrophobicContact CG1-CG2 4.38Å; F660-I664 HydrophobicContact CD1-CG1 4.35Å; F660-I664 HydrophobicContact CD2-CG1 4.45Å; F660-I664 HydrophobicContact CE1-CG1 3.94Å; F660-I664 HydrophobicContact CE2-CD1 4.24Å; F660-I664 HydrophobicContact CE2-CG1 4.05Å; F660-I664 HydrophobicContact CZ-CD1 4.1Å; F660-I664 HydrophobicContact CZ-CG1 3.77Å; F660-I664 WeakPolarHBondContact O-CG1 3.27Å; F660-I664 PolarHBondContact O-N 3.27Å; T661-I664 PolarHBondContact O-N 2.79Å; I664-S667 PolarHBondContact O-N 3.42Å; I664-Y668 WeakPolarHBondContact O-CB 3.26Å; I664-Y668 PolarHBondContact O-N 2.88Å
665	I	90.8	Very high	88.4	Confident	36 Å²	36	65 Å²	65	19%	0.185	36%	0.36	C	S	.	.	H	α-helix	trans	-68.3	-41.5	-178.9	-62	161.2	0	0	0	110.5	L636 Q638 T661 I663 S667 Y668 T669	L636-I665 WeakPolarHBondContact O-CD1 3.38Å; Q638-I665 HydrophobicContact CG-CD1 3.66Å; Q638-I665 VanDerWaalsContact NE2-CG2 3.31Å; T661-I665 WeakPolarHBondContact O-CB 3.38Å; T661-I665 WeakPolarHBondContact O-CD1 3.42Å; T661-I665 WeakPolarHBondContact O-CG1 3.5Å; T661-I665 PolarHBondContact O-N 3.4Å; I663-I665 PolarHBondContact O-N 3.22Å; I665-S667 VanDerWaalsContact C-N 3.31Å; I665-S667 PolarHBondContact O-N 3.41Å; I665-Y668 PolarHBondContact O-N 3.41Å; I665-T669 HydrophobicContact CG2-CG2 4.35Å; I665-T669 WeakPolarHBondContact O-CG2 3.37Å; I665-T669 PolarHBondContact O-N 3.03Å; I665-T669 PolarHBondContact O-OG1 3.24Å
666	S	90.3	Very high	87.6	Confident	59 Å²	59	66.2 Å²	66.2	41%	0.413	36%	0.358	S	S	.	.	H	α-helix	trans	-63.7	-37.1	176.7	-57.3	0	0	0	0	112.2	L662 I663 T669 A670	L662-S666 VanDerWaalsContact O-CB 3.26Å; L662-S666 WeakPolarHBondContact O-CB 3.16Å; L662-S666 PolarHBondContact O-N 3.45Å; L662-S666 PolarHBondContact O-OG 3.44Å; I663-S666 PolarHBondContact O-N 2.92Å; S666-T669 WeakPolarHBondContact CA-OG1 3.41Å; S666-T669 PolarHBondContact O-OG1 3.16Å; S666-A670 WeakPolarHBondContact O-CB 3.19Å; S666-A670 PolarHBondContact O-N 2.94Å; S666-A670 VanDerWaalsContact O-N 3.1Å
667	S	91.3	Very high	86.6	Confident	51 Å²	51	65.1 Å²	65.1	36%	0.357	36%	0.356	S	S	.	.	H	α-helix	trans	-70.2	-39.3	174.6	179.5	0	0	0	0	112	I663 I664 I665 A670 N671	I663-S667 WeakPolarHBondContact O-CB 3.23Å; I663-S667 PolarHBondContact O-N 3.32Å; I664-S667 PolarHBondContact O-N 3.42Å; I665-S667 VanDerWaalsContact C-N 3.31Å; I665-S667 PolarHBondContact O-N 3.41Å; S667-A670 PolarHBondContact O-N 3.08Å; S667-N671 WeakPolarHBondContact O-CB 3.35Å; S667-N671 PolarHBondContact O-N 3.4Å
668	Y	91.1	Very high	85.3	Confident	49 Å²	49	68.5 Å²	68.5	19%	0.192	38%	0.377	C	S	.	.	H	α-helix	trans	-63.4	-46.6	175.2	173	-99.9	0	0	0	111.6	F572 P575 M576 W581 I664 I665 A670 N671 L672	F572-Y668 WeakPolarHBondContact O-CE2 3.31Å; F572-Y668 PolarHBondContact O-OH 3.32Å; F572-Y668 VanDerWaalsContact O-OH 3.07Å; P575-Y668 HydrophobicContact CB-CD2 4.43Å; P575-Y668 HydrophobicContact CB-CE2 4.38Å; P575-Y668 HydrophobicContact CG-CE2 4.27Å; M576-Y668 HydrophobicContact SD-CD2 4.48Å; W581-Y668 HydrophobicContact CH2-CE2 4.3Å; W581-Y668 HydrophobicContact CZ2-CD2 4.36Å; W581-Y668 HydrophobicContact CZ2-CE2 4.06Å; I664-Y668 WeakPolarHBondContact O-CB 3.26Å; I664-Y668 PolarHBondContact O-N 2.88Å; I665-Y668 PolarHBondContact O-N 3.41Å; Y668-A670 VanDerWaalsContact C-N 3.33Å; Y668-A670 PolarHBondContact O-N 3.22Å; Y668-N671 PolarHBondContact O-N 3.41Å; Y668-L672 HydrophobicContact CE1-CD2 3.96Å; Y668-L672 WeakPolarHBondContact O-CB 3.42Å; Y668-L672 PolarHBondContact O-N 3.27Å
669	T	89.1	Confident	83.8	Confident	78 Å²	78	67.7 Å²	67.7	48%	0.479	38%	0.379	S	S	.	.	H	α-helix	trans	-64.4	-38.3	178.8	55.2	0	0	0	0	111.8	I665 S666 A673	I665-T669 HydrophobicContact CG2-CG2 4.35Å; I665-T669 WeakPolarHBondContact O-CG2 3.37Å; I665-T669 PolarHBondContact O-N 3.03Å; I665-T669 PolarHBondContact O-OG1 3.24Å; S666-T669 WeakPolarHBondContact CA-OG1 3.41Å; S666-T669 PolarHBondContact O-OG1 3.16Å; T669-A673 WeakPolarHBondContact O-CB 3.26Å; T669-A673 PolarHBondContact O-N 2.92Å
670	A	88.8	Confident	82.3	Confident	56 Å²	56	70.9 Å²	70.9	46%	0.463	39%	0.387	S	S	.	.	H	α-helix	trans	-63.8	-48.4	174.5	0	0	0	0	0	112.6	S666 S667 Y668 A673 A674	S666-A670 WeakPolarHBondContact O-CB 3.19Å; S666-A670 PolarHBondContact O-N 2.94Å; S666-A670 VanDerWaalsContact O-N 3.1Å; S667-A670 PolarHBondContact O-N 3.08Å; Y668-A670 VanDerWaalsContact C-N 3.33Å; Y668-A670 PolarHBondContact O-N 3.22Å; A670-A673 PolarHBondContact O-N 3.27Å; A670-A674 PolarHBondContact O-N 3.14Å
671	N	86.6	Confident	80.7	Confident	74 Å²	74	71 Å²	71	40%	0.396	39%	0.39	S	S	.	.	H	α-helix	trans	-70.1	-36.1	-179.9	-75	-4.5	0	0	0	112.4	P575 S667 Y668 A674 F675	P575-N671 HydrophobicContact CB-CB 4Å; P575-N671 PolarHBondContact O-ND2 2.83Å; S667-N671 WeakPolarHBondContact O-CB 3.35Å; S667-N671 PolarHBondContact O-N 3.4Å; Y668-N671 PolarHBondContact O-N 3.41Å; N671-A674 PolarHBondContact O-N 2.87Å; N671-F675 VanDerWaalsContact O-CB 3.28Å; N671-F675 WeakPolarHBondContact O-CB 3.3Å; N671-F675 PolarHBondContact O-N 3.23Å
672	L	83	Confident	79.3	Confident	41 Å²	41	76.9 Å²	76.9	22%	0.215	42%	0.421	C	S	.	.	H	α-helix	trans	-63.1	-44.2	174.8	179.8	66.5	0	0	0	110.7	P575 Y668 A674 F675 L676	P575-L672 HydrophobicContact CB-CB 4.44Å; P575-L672 HydrophobicContact CG-CB 4.03Å; P575-L672 HydrophobicContact CG-CD1 3.67Å; P575-L672 HydrophobicContact CG-CG 4.47Å; Y668-L672 HydrophobicContact CE1-CD2 3.96Å; Y668-L672 WeakPolarHBondContact O-CB 3.42Å; Y668-L672 PolarHBondContact O-N 3.27Å; L672-A674 PolarHBondContact O-N 2.98Å; L672-F675 PolarHBondContact O-N 3.26Å; L672-L676 HydrophobicContact CD1-CD1 4.07Å; L672-L676 HydrophobicContact CD1-CG 4.22Å; L672-L676 HydrophobicContact CG-CD1 3.97Å; L672-L676 HydrophobicContact CG-CG 4.49Å; L672-L676 WeakPolarHBondContact O-CB 3.46Å; L672-L676 VanDerWaalsContact O-CG 3.28Å; L672-L676 WeakPolarHBondContact O-CG 3.4Å; L672-L676 PolarHBondContact O-N 3.43Å
673	A	78	Confident	78.2	Confident	57 Å²	57	74.1 Å²	74.1	47%	0.471	41%	0.41	S	S	.	.	H	α-helix	trans	-62.7	-40.4	175.7	0	0	0	0	0	112.5	T669 A670 T677	T669-A673 WeakPolarHBondContact O-CB 3.26Å; T669-A673 PolarHBondContact O-N 2.92Å; A670-A673 PolarHBondContact O-N 3.27Å; A673-T677 VanDerWaalsContact O-CG2 3.3Å; A673-T677 WeakPolarHBondContact O-CG2 3.28Å; A673-T677 PolarHBondContact O-N 3.39Å; A673-T677 PolarHBondContact O-OG1 2.93Å
674	A	79.7	Confident	77.2	Confident	53 Å²	53	74.1 Å²	74.1	44%	0.438	42%	0.415	S	S	.	.	H	α-helix	trans	-66.9	-37.1	174.7	0	0	0	0	0	112.7	A670 N671 L672 T677 V678	A670-A674 PolarHBondContact O-N 3.14Å; N671-A674 PolarHBondContact O-N 2.87Å; L672-A674 PolarHBondContact O-N 2.98Å; A674-T677 WeakPolarHBondContact CA-OG1 3.36Å; A674-T677 PolarHBondContact O-OG1 2.97Å; A674-V678 PolarHBondContact O-N 3.5Å
675	F	75.7	Confident	76.5	Confident	85 Å²	85	72.8 Å²	72.8	37%	0.373	41%	0.409	S	S	.	.	H	α-helix	trans	-70.7	-42.6	179.8	-173.2	-92.6	0	0	0	111.5	S571 N574 N671 L672 T677 V678	S571-F675 WeakPolarHBondContact OG-CE1 3.44Å; N574-F675 HydrophobicContact CB-CE1 4.48Å; N574-F675 HydrophobicContact CB-CE2 4.31Å; N574-F675 HydrophobicContact CB-CZ 4.08Å; N671-F675 VanDerWaalsContact O-CB 3.28Å; N671-F675 WeakPolarHBondContact O-CB 3.3Å; N671-F675 PolarHBondContact O-N 3.23Å; L672-F675 PolarHBondContact O-N 3.26Å; F675-T677 PolarHBondContact O-N 3.34Å; F675-V678 PolarHBondContact O-N 3.07Å
676	L	73.1	Confident	76.1	Confident	60 Å²	60	76.4 Å²	76.4	31%	0.314	43%	0.429	S	S	.	.	H	α-helix	trans	-68.9	-21.1	178.5	-69.5	171.4	0	0	0	113.4	L672 M832 N836	L672-L676 HydrophobicContact CD1-CD1 4.07Å; L672-L676 HydrophobicContact CD1-CG 4.22Å; L672-L676 HydrophobicContact CG-CD1 3.97Å; L672-L676 HydrophobicContact CG-CG 4.49Å; L672-L676 WeakPolarHBondContact O-CB 3.46Å; L672-L676 VanDerWaalsContact O-CG 3.28Å; L672-L676 WeakPolarHBondContact O-CG 3.4Å; L672-L676 PolarHBondContact O-N 3.43Å; L676-M832 HydrophobicContact CD1-SD 4.27Å; L676-N836 HydrophobicContact CD2-CB 4.27Å
677	T	69.6	Low	75.9	Confident	89 Å²	89	75.4 Å²	75.4	55%	0.546	42%	0.422	S	S	.	.	H	α-helix	trans	-88.8	-16.4	177.6	47.7	0	0	0	0	113.1	A673 A674 F675	A673-T677 VanDerWaalsContact O-CG2 3.3Å; A673-T677 WeakPolarHBondContact O-CG2 3.28Å; A673-T677 PolarHBondContact O-N 3.39Å; A673-T677 PolarHBondContact O-OG1 2.93Å; A674-T677 WeakPolarHBondContact CA-OG1 3.36Å; A674-T677 PolarHBondContact O-OG1 2.97Å; F675-T677 PolarHBondContact O-N 3.34Å
678	V	64.9	Low	75.6	Confident	78 Å²	78	73.7 Å²	73.7	47%	0.473	41%	0.411	S	S	.	.			trans	-127.1	87.4	-175.5	-171.2	0	0	0	0	111.1	A674 F675 R680	A674-V678 PolarHBondContact O-N 3.5Å; F675-V678 PolarHBondContact O-N 3.07Å; V678-R680 HydrophobicContact CG1-CG 3.84Å; V678-R680 PolarHBondContact O-N 3.44Å; V678-R680 VanDerWaalsContact O-N 3.16Å
679	E	60	Low	75.4	Confident	120 Å²	120	74.8 Å²	74.8	56%	0.561	42%	0.42	S	S	*	.			trans	-75.3	99.4	164.4	-70.5	-175.5	174.9	0	0	109.5	R827	E679-R827 PolarHBondContact O-NH1 2.96Å
680	R	58.6	Low	75.3	Confident	203 Å²	203	74 Å²	74	77%	0.766	41%	0.413	S	S	*	.			trans	-76.8	126.8	173.9	-66	-170.7	178.8	172.1	0.3	109.8	V678	V678-R680 HydrophobicContact CG1-CG 3.84Å; V678-R680 PolarHBondContact O-N 3.44Å; V678-R680 VanDerWaalsContact O-N 3.16Å
681	M	57.9	Low	75.2	Confident	77 Å²	77	71.4 Å²	71.4	38%	0.379	39%	0.391	S	S	.	.			trans	-81.8	112.8	163.9	-61.6	-159.4	-146.1	0	0	107.8	S683	M681-S683 PolarHBondContact O-N 3.43Å
682	D	61.8	Low	75.2	Confident	131 Å²	131	69.1 Å²	69.1	70%	0.701	38%	0.382	S	S	*	.			trans	-77.9	112.4	171.9	-80.4	-24.5	0	0	0	109.5
683	S	67.1	Low	75.5	Confident	40 Å²	40	75 Å²	75	28%	0.28	41%	0.406	S	S	.	.			trans	-78.9	131.5	172.1	-175.1	0	0	0	0	109.7	M681 V685	M681-S683 PolarHBondContact O-N 3.43Å; S683-V685 PolarHBondContact O-N 3.37Å; S683-V685 PolarHBondContact OG-N 3.24Å; S683-V685 PolarHBondContact OG-O 2.96Å
684	P	71.5	Confident	75.9	Confident	83 Å²	83	74.5 Å²	74.5	54%	0.539	39%	0.394	S	S	.	.	S	Bend	trans	-70.2	-13	176.9	28.2	-34.2	0	0	0	113.4	Y559	Y559-P684 HydrophobicContact CE1-CG 4.03Å
685	V	78.4	Confident	76.1	Confident	8 Å²	8	77 Å²	77	5%	0.048	40%	0.404	C	S	.	.			trans	-143.6	130.8	-177.8	-179.6	0	0	0	0	108.9	S683 I691 I697 V772	S683-V685 PolarHBondContact O-N 3.37Å; S683-V685 PolarHBondContact OG-N 3.24Å; S683-V685 PolarHBondContact OG-O 2.96Å; V685-I691 HydrophobicContact CB-CG1 4.43Å; V685-I691 HydrophobicContact CG1-CD1 3.75Å; V685-I691 HydrophobicContact CG1-CG1 3.29Å; V685-I691 HydrophobicContact CG2-CG1 4.28Å; V685-I697 HydrophobicContact CG2-CD1 3.53Å; V685-V772 HydrophobicContact CB-CG1 4.09Å; V685-V772 HydrophobicContact CG1-CG1 3.8Å; V685-V772 WeakPolarHBondContact O-CG1 3.33Å
686	D	81	Confident	76.7	Confident	112 Å²	112	81.4 Å²	81.4	60%	0.599	42%	0.423	S	S	*	.			trans	-117.4	-28.1	174.3	-74.8	-26	0	0	0	112.8	G773	D686-G773 WeakPolarHBondContact O-CA 3.43Å; D686-G773 PolarHBondContact O-N 2.7Å
687	S	85.9	Confident	77.4	Confident	38 Å²	38	79.2 Å²	79.2	27%	0.266	41%	0.412	S	S	.	.	S	Bend	trans	-132.8	160.4	-176.8	76.3	0	0	0	0	113.9	D689 D690 I691	S687-D689 PolarHBondContact O-N 3.33Å; S687-D689 PolarHBondContact OG-N 2.74Å; S687-D690 WeakPolarHBondContact CB-OD2 3.32Å; S687-D690 PolarHBondContact N-OD2 2.89Å; S687-D690 VanDerWaalsContact N-OD2 3.14Å; S687-D690 PolarHBondContact O-N 3.44Å; S687-D690 PolarHBondContact OG-N 2.94Å; S687-D690 PolarHBondContact OG-OD2 3.45Å; S687-I691 PolarHBondContact O-N 3.2Å
688	A	85.1	Confident	78.4	Confident	15 Å²	15	77.4 Å²	77.4	12%	0.124	40%	0.397	C	S	.	.	H	α-helix	trans	-62.2	-30.3	172.9	0	0	0	0	0	112.5	I557 D690 I691 A692 F719 I776	I557-A688 HydrophobicContact CD1-CB 4.11Å; A688-D690 VanDerWaalsContact C-N 3.34Å; A688-I691 PolarHBondContact O-N 3.16Å; A688-A692 PolarHBondContact O-N 2.78Å; A688-A692 VanDerWaalsContact O-N 3.09Å; A688-F719 HydrophobicContact CB-CE1 4.49Å; A688-I776 HydrophobicContact CB-CD1 3.96Å; A688-I776 HydrophobicContact CB-CG1 4.4Å
689	D	87.1	Confident	79.7	Confident	73 Å²	73	73.9 Å²	73.9	39%	0.39	38%	0.375	S	S	.	.	H	α-helix	trans	-66.8	-35.9	176.3	-74.2	-47.5	0	0	0	111.8	S687 A692 K693 T718	S687-D689 PolarHBondContact O-N 3.33Å; S687-D689 PolarHBondContact OG-N 2.74Å; D689-A692 PolarHBondContact O-N 3.09Å; D689-K693 WeakPolarHBondContact O-CG 3.32Å; D689-K693 PolarHBondContact O-N 2.91Å; D689-K693 VanDerWaalsContact O-N 3.1Å; D689-T718 WeakPolarHBondContact OD1-CB 2.9Å; D689-T718 WeakPolarHBondContact OD1-CG2 3.45Å; D689-T718 PolarHBondContact OD1-OG1 3.27Å
690	D	86.8	Confident	81.3	Confident	61 Å²	61	68.2 Å²	68.2	33%	0.326	35%	0.348	S	S	.	.	H	α-helix	trans	-66.2	-41.4	177.7	-57.9	-38.5	0	0	0	110.8	S687 A688 A692 K693 Q694	S687-D690 WeakPolarHBondContact CB-OD2 3.32Å; S687-D690 PolarHBondContact N-OD2 2.89Å; S687-D690 VanDerWaalsContact N-OD2 3.14Å; S687-D690 PolarHBondContact O-N 3.44Å; S687-D690 PolarHBondContact OG-N 2.94Å; S687-D690 PolarHBondContact OG-OD2 3.45Å; A688-D690 VanDerWaalsContact C-N 3.34Å; D690-A692 VanDerWaalsContact C-N 3.28Å; D690-A692 PolarHBondContact O-N 2.89Å; D690-K693 PolarHBondContact O-N 2.96Å; D690-Q694 WeakPolarHBondContact O-CG 3.5Å; D690-Q694 PolarHBondContact O-N 2.94Å
691	I	87.1	Confident	83	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-60.7	-39.4	173.4	-60.4	-175.2	0	0	0	111.2	I557 V685 S687 A688 Q694 Y699 A751	I557-I691 HydrophobicContact CD1-CD1 3.62Å; I557-I691 HydrophobicContact CG1-CD1 4.18Å; I557-I691 HydrophobicContact CG2-CD1 3.86Å; V685-I691 HydrophobicContact CB-CG1 4.43Å; V685-I691 HydrophobicContact CG1-CD1 3.75Å; V685-I691 HydrophobicContact CG1-CG1 3.29Å; V685-I691 HydrophobicContact CG2-CG1 4.28Å; S687-I691 PolarHBondContact O-N 3.2Å; A688-I691 PolarHBondContact O-N 3.16Å; I691-Q694 PolarHBondContact O-NE2 3.47Å; I691-Q694 VanDerWaalsContact O-NE2 3.12Å; I691-Q694 VanDerWaalsContact O-O 3.1Å; I691-Y699 HydrophobicContact CG2-CD1 3.13Å; I691-Y699 HydrophobicContact CG2-CD2 4.26Å; I691-Y699 HydrophobicContact CG2-CE1 3.44Å; I691-Y699 VanDerWaalsContact CG2-CE1 3.44Å; I691-Y699 HydrophobicContact CG2-CG 3.57Å; I691-A751 HydrophobicContact CD1-CB 4.45Å
692	A	87.9	Confident	84.5	Confident	25 Å²	25	56.2 Å²	56.2	21%	0.207	30%	0.302	C	S	.	.	H	α-helix	trans	-71.8	-26.8	-178.2	0	0	0	0	0	113.6	A688 D689 D690 T718 M722	A688-A692 PolarHBondContact O-N 2.78Å; A688-A692 VanDerWaalsContact O-N 3.09Å; D689-A692 PolarHBondContact O-N 3.09Å; D690-A692 VanDerWaalsContact C-N 3.28Å; D690-A692 PolarHBondContact O-N 2.89Å; A692-T718 HydrophobicContact CB-CG2 3.6Å; A692-M722 HydrophobicContact CB-CG 3.72Å; A692-M722 HydrophobicContact CB-SD 4.28Å
693	K	87.9	Confident	85.6	Confident	166 Å²	166	55 Å²	55	72%	0.722	29%	0.288	S	S	*	.	H	α-helix	trans	-81.2	-27.2	178.7	-71.3	169.4	-172.3	163.4	0	113.1	D689 D690	D689-K693 WeakPolarHBondContact O-CG 3.32Å; D689-K693 PolarHBondContact O-N 2.91Å; D689-K693 VanDerWaalsContact O-N 3.1Å; D690-K693 PolarHBondContact O-N 2.96Å
694	Q	86.1	Confident	86.2	Confident	45 Å²	45	57.2 Å²	57.2	21%	0.21	30%	0.297	C	S	.	.			trans	-100.3	160.4	-177	69.2	78	44	0	0	112.1	D690 I691 I697	D690-Q694 WeakPolarHBondContact O-CG 3.5Å; D690-Q694 PolarHBondContact O-N 2.94Å; I691-Q694 PolarHBondContact O-NE2 3.47Å; I691-Q694 VanDerWaalsContact O-NE2 3.12Å; I691-Q694 VanDerWaalsContact O-O 3.1Å; Q694-I697 PolarHBondContact NE2-O 3.49Å
695	T	85.3	Confident	86.7	Confident	105 Å²	105	54.4 Å²	54.4	64%	0.644	28%	0.282	S	S	*	.	S	Bend	trans	-126.9	4.2	178.5	61	0	0	0	0	114
696	K	87.1	Confident	87	Confident	178 Å²	178	54.8 Å²	54.8	77%	0.774	29%	0.287	S	S	*	.	S	Bend	trans	-77.7	-44.3	-176.8	-175.6	179.9	178.1	-175.9	0	111.6
697	I	88.5	Confident	87.4	Confident	15 Å²	15	50.1 Å²	50.1	8%	0.077	26%	0.262	C	S	.	.	S	Bend	trans	-89.2	119	176.5	-56.1	169.6	0	0	0	107.3	Y559 V685 Q694 A751	Y559-I697 HydrophobicContact CE2-CG2 3.88Å; V685-I697 HydrophobicContact CG2-CD1 3.53Å; Q694-I697 PolarHBondContact NE2-O 3.49Å; I697-A751 HydrophobicContact CG2-CB 4.23Å
698	E	90.8	Very high	87.6	Confident	51 Å²	51	50.1 Å²	50.1	24%	0.238	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	149.8	172.1	-70	-161.8	145.6	0	0	110.1	T732 R744 D749 Y750 A751	E698-T732 PolarHBondContact OE1-OG1 2.65Å; E698-R744 IonicContact OE2-NH2 2.91Å; E698-R744 PolarHBondContact OE2-NH2 2.76Å; E698-D749 PolarHBondContact N-O 3.35Å; E698-Y750 HydrophobicContact CB-CD2 3.81Å; E698-Y750 CarbonylContact O-C 3.57Å; E698-Y750 VanDerWaalsContact O-CA 3.25Å; E698-Y750 WeakPolarHBondContact O-CA 3.45Å; E698-Y750 WeakPolarHBondContact O-CD2 3.24Å; E698-A751 PolarHBondContact O-N 2.88Å
699	Y	92.3	Very high	87.7	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	157	177.3	56.9	-90.3	0	0	0	111.9	I691 M722 F725 M726 S733 A751 I753	I691-Y699 HydrophobicContact CG2-CD1 3.13Å; I691-Y699 HydrophobicContact CG2-CD2 4.26Å; I691-Y699 HydrophobicContact CG2-CE1 3.44Å; I691-Y699 VanDerWaalsContact CG2-CE1 3.44Å; I691-Y699 HydrophobicContact CG2-CG 3.57Å; Y699-M722 HydrophobicContact CD2-CE 4.04Å; Y699-M722 HydrophobicContact CE2-CB 3.89Å; Y699-M722 HydrophobicContact CE2-CE 3.85Å; Y699-M722 HydrophobicContact CE2-CG 4.03Å; Y699-F725 HydrophobicContact CD1-CD1 4.28Å; Y699-F725 HydrophobicContact CD1-CE1 4.01Å; Y699-F725 HydrophobicContact CD2-CD1 4.37Å; Y699-F725 AromaticContact CE1-CD1 3.67Å; Y699-F725 HydrophobicContact CE1-CD1 3.67Å; Y699-F725 AromaticContact CE1-CE1 3.7Å; Y699-F725 HydrophobicContact CE1-CE1 3.7Å; Y699-F725 HydrophobicContact CE1-CG 4.32Å; Y699-F725 HydrophobicContact CE1-CZ 4.38Å; Y699-F725 AromaticContact CE2-CD1 3.75Å; Y699-F725 HydrophobicContact CE2-CD1 3.75Å; Y699-F725 HydrophobicContact CE2-CE1 4.39Å; Y699-F725 AromaticContact CZ-CD1 3.37Å; Y699-F725 AromaticContact CZ-CE1 3.92Å; Y699-F725 AromaticContact CZ-CG 3.89Å; Y699-F725 WeakPolarHBondContact OH-CB 3.33Å; Y699-M726 HydrophobicContact CD2-CG 4.19Å; Y699-M726 HydrophobicContact CE2-CG 4.13Å; Y699-S733 WeakPolarHBondContact O-CB 3.09Å; Y699-A751 WeakPolarHBondContact CA-O 3.04Å; Y699-A751 WeakPolarHBondContact CB-O 3.36Å; Y699-I753 HydrophobicContact CD2-CD1 4.04Å
700	G	93.3	Very high	87.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.9	-164.4	170.7	0	0	0	0	0	115.5	S733 Y750 A751 I753	G700-S733 VanDerWaalsContact CA-O 3.24Å; G700-S733 WeakPolarHBondContact CA-O 3.18Å; G700-Y750 VanDerWaalsContact C-OH 3.24Å; G700-Y750 WeakPolarHBondContact CA-OH 3.45Å; G700-Y750 PolarHBondContact N-OH 3.3Å; G700-Y750 PolarHBondContact O-OH 3.37Å; G700-A751 PolarHBondContact N-O 2.83Å; G700-I753 PolarHBondContact O-N 3.09Å
701	V	93.4	Very high	88.1	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.			trans	-134.3	163.6	-162	-63.9	0	0	0	0	111.5	T707 M708 F711 M726 S733 L734 V735 I753	V701-T707 HydrophobicContact CB-CG2 4.45Å; V701-T707 HydrophobicContact CG1-CG2 3.74Å; V701-M708 HydrophobicContact CG2-CB 3.77Å; V701-M708 HydrophobicContact CG2-CG 4.09Å; V701-F711 HydrophobicContact CG1-CD2 4.11Å; V701-F711 HydrophobicContact CG1-CE2 4.16Å; V701-M726 HydrophobicContact CG1-SD 4.04Å; V701-M726 HydrophobicContact CG2-SD 4.02Å; V701-S733 PolarHBondContact N-O 3.32Å; V701-L734 HydrophobicContact CG2-CD2 3.54Å; V701-L734 WeakPolarHBondContact O-CA 3.33Å; V701-V735 PolarHBondContact O-N 3.08Å; V701-V735 VanDerWaalsContact O-N 3.11Å; V701-I753 HydrophobicContact CG1-CB 3.9Å; V701-I753 HydrophobicContact CG1-CG2 4.29Å
702	V	89.9	Confident	88.3	Confident	29 Å²	29	54 Å²	54	18%	0.176	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-71	136.5	173.4	-172.6	0	0	0	0	110.7	V735 V738	V702-V735 WeakPolarHBondContact CA-O 3.41Å; V702-V735 HydrophobicContact CB-CG2 4.4Å; V702-V735 HydrophobicContact CG2-CG2 3.92Å; V702-V738 HydrophobicContact CG2-CG2 4.04Å
703	R	85.6	Confident	88.3	Confident	105 Å²	105	59.3 Å²	59.3	40%	0.396	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	147.2	176.3	-69.4	179.6	-178.9	-156.3	-3.6	111.7	G705 P730 L734 V735	R703-G705 PolarHBondContact O-N 2.69Å; R703-P730 PolarHBondContact NH2-O 2.82Å; R703-L734 HydrophobicContact CG-CB 3.73Å; R703-L734 HydrophobicContact CG-CD1 4.43Å; R703-L734 PolarHBondContact NE-O 3.19Å; R703-V735 WeakPolarHBondContact CG-O 3.31Å; R703-V735 PolarHBondContact N-O 2.6Å
704	D	79.3	Confident	88.5	Confident	87 Å²	87	52.3 Å²	52.3	47%	0.465	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	13	-179.6	-60.3	-19.7	0	0	0	114.9	K505	K505-D704 IonicContact NZ-OD2 3.39Å; K505-D704 PolarHBondContact NZ-OD2 2.9Å
705	G	81.9	Confident	88.7	Confident	23 Å²	23	59.1 Å²	59.1	24%	0.237	29%	0.294	C	S	.	.	S	Bend	trans	-85.8	163	-179.6	0	0	0	0	0	114.5	R703 T707 M708 A709	R703-G705 PolarHBondContact O-N 2.69Å; G705-T707 VanDerWaalsContact C-N 3.29Å; G705-T707 PolarHBondContact O-N 3.09Å; G705-M708 PolarHBondContact O-N 3.35Å; G705-A709 PolarHBondContact O-N 3.29Å
706	A	85	Confident	89	Confident	17 Å²	17	57.6 Å²	57.6	14%	0.14	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-35.9	176.1	0	0	0	0	0	112.3	T535 A709 F710	T535-A706 HydrophobicContact CG2-CB 4.5Å; A706-A709 PolarHBondContact O-N 3.36Å; A706-F710 WeakPolarHBondContact O-CB 3.46Å; A706-F710 PolarHBondContact O-N 3.47Å
707	T	89.4	Confident	89.3	Confident	13 Å²	13	52.7 Å²	52.7	8%	0.08	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-42.4	176.4	-51.4	0	0	0	0	112.1	I555 V701 G705 F710 F711 I753	I555-T707 HydrophobicContact CD1-CG2 3.89Å; I555-T707 HydrophobicContact CG1-CG2 4.05Å; I555-T707 HydrophobicContact CG2-CG2 3.93Å; V701-T707 HydrophobicContact CB-CG2 4.45Å; V701-T707 HydrophobicContact CG1-CG2 3.74Å; G705-T707 VanDerWaalsContact C-N 3.29Å; G705-T707 PolarHBondContact O-N 3.09Å; T707-F710 WeakPolarHBondContact O-CB 3.35Å; T707-F710 PolarHBondContact O-N 3.28Å; T707-F711 HydrophobicContact CG2-CD2 4.1Å; T707-F711 HydrophobicContact CG2-CE2 3.78Å; T707-F711 WeakPolarHBondContact O-CD2 3.36Å; T707-F711 PolarHBondContact O-N 3.41Å; T707-F711 VanDerWaalsContact O-N 3.14Å; T707-I753 HydrophobicContact CG2-CG2 4.11Å
708	M	89.6	Confident	89.4	Confident	38 Å²	38	53.3 Å²	53.3	19%	0.187	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-45.7	174.8	-177.5	-170.5	171.8	0	0	111.4	V701 G705 F710 F711 K712 W723 L734	V701-M708 HydrophobicContact CG2-CB 3.77Å; V701-M708 HydrophobicContact CG2-CG 4.09Å; G705-M708 PolarHBondContact O-N 3.35Å; M708-F710 VanDerWaalsContact C-N 3.26Å; M708-F710 PolarHBondContact O-N 3.26Å; M708-F711 PolarHBondContact O-N 2.98Å; M708-K712 WeakPolarHBondContact O-CB 3.07Å; M708-K712 PolarHBondContact O-N 3.06Å; M708-W723 HydrophobicContact CE-CH2 3.73Å; M708-W723 HydrophobicContact CG-CH2 3.77Å; M708-W723 HydrophobicContact CG-CZ3 3.73Å; M708-L734 HydrophobicContact CE-CD1 4.19Å
709	A	88.1	Confident	89.5	Confident	47 Å²	47	52.4 Å²	52.4	39%	0.388	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-32.4	177.6	0	0	0	0	0	112.7	G705 A706 K713	G705-A709 PolarHBondContact O-N 3.29Å; A706-A709 PolarHBondContact O-N 3.36Å; A709-K713 WeakPolarHBondContact O-CB 3.06Å; A709-K713 WeakPolarHBondContact O-CG 2.97Å; A709-K713 PolarHBondContact O-N 3.33Å
710	F	91	Very high	89.6	Confident	56 Å²	56	56.8 Å²	56.8	25%	0.246	29%	0.293	C	S	.	.	H	α-helix	trans	-62.6	-54	173.6	170.1	-96.1	0	0	0	111.3	I555 A706 T707 M708 K712 K713 S714 F719	I555-F710 HydrophobicContact CD1-CB 4.36Å; I555-F710 HydrophobicContact CD1-CD1 3.54Å; I555-F710 HydrophobicContact CD1-CE1 3.9Å; I555-F710 HydrophobicContact CD1-CG 3.93Å; A706-F710 WeakPolarHBondContact O-CB 3.46Å; A706-F710 PolarHBondContact O-N 3.47Å; T707-F710 WeakPolarHBondContact O-CB 3.35Å; T707-F710 PolarHBondContact O-N 3.28Å; M708-F710 VanDerWaalsContact C-N 3.26Å; M708-F710 PolarHBondContact O-N 3.26Å; F710-K712 VanDerWaalsContact C-N 3.32Å; F710-K712 PolarHBondContact O-N 2.81Å; F710-K713 PolarHBondContact O-N 3.36Å; F710-S714 WeakPolarHBondContact O-CB 3.3Å; F710-S714 PolarHBondContact O-N 2.89Å; F710-F719 HydrophobicContact CE1-CD2 4.24Å; F710-F719 HydrophobicContact CZ-CD2 4.26Å; F710-F719 HydrophobicContact CZ-CE2 4.39Å
711	F	91.4	Very high	89.5	Confident	1 Å²	1	63.8 Å²	63.8	0%	0.004	32%	0.323	C	S	.	.	H	α-helix	trans	-63.1	-37.3	178.7	-75.7	-73	0	0	0	112.7	V701 T707 M708 K713 S714 F719 M722 W723 M726 I753	V701-F711 HydrophobicContact CG1-CD2 4.11Å; V701-F711 HydrophobicContact CG1-CE2 4.16Å; T707-F711 HydrophobicContact CG2-CD2 4.1Å; T707-F711 HydrophobicContact CG2-CE2 3.78Å; T707-F711 WeakPolarHBondContact O-CD2 3.36Å; T707-F711 PolarHBondContact O-N 3.41Å; T707-F711 VanDerWaalsContact O-N 3.14Å; M708-F711 PolarHBondContact O-N 2.98Å; F711-K713 VanDerWaalsContact C-N 3.26Å; F711-K713 PolarHBondContact O-N 3.17Å; F711-S714 PolarHBondContact O-N 2.76Å; F711-F719 HydrophobicContact CD1-CB 3.86Å; F711-F719 HydrophobicContact CD1-CG 4.34Å; F711-F719 HydrophobicContact CE1-CB 3.99Å; F711-F719 AromaticContact CE1-CD1 3.78Å; F711-F719 HydrophobicContact CE1-CD1 3.78Å; F711-F719 AromaticContact CE1-CG 3.99Å; F711-F719 HydrophobicContact CE1-CG 3.99Å; F711-M722 HydrophobicContact CE1-SD 4.24Å; F711-W723 HydrophobicContact CB-CB 4.24Å; F711-W723 HydrophobicContact CB-CD2 4.36Å; F711-W723 HydrophobicContact CB-CE3 3.77Å; F711-M726 HydrophobicContact CB-CE 3.92Å; F711-M726 HydrophobicContact CD1-CE 4.05Å; F711-M726 HydrophobicContact CD2-CE 3.98Å; F711-M726 HydrophobicContact CG-CE 3.72Å; F711-I753 HydrophobicContact CE2-CG2 3.83Å; F711-I753 HydrophobicContact CZ-CD1 4.39Å; F711-I753 HydrophobicContact CZ-CG2 4.1Å
712	K	89.8	Confident	89.5	Confident	129 Å²	129	63.8 Å²	63.8	56%	0.561	32%	0.323	S	S	*	.	H	α-helix	trans	-62.7	-29.4	176.5	-172.8	175.8	179.9	-178.1	0	113.7	M708 F710 W723	M708-K712 WeakPolarHBondContact O-CB 3.07Å; M708-K712 PolarHBondContact O-N 3.06Å; F710-K712 VanDerWaalsContact C-N 3.32Å; F710-K712 PolarHBondContact O-N 2.81Å; K712-W723 HydrophobicContact CB-CD2 4.18Å; K712-W723 HydrophobicContact CB-CH2 4.11Å; K712-W723 HydrophobicContact CB-CZ2 3.7Å; K712-W723 HydrophobicContact CD-CZ2 3.97Å; K712-W723 HydrophobicContact CG-CZ2 3.73Å
713	K	89	Confident	89.7	Confident	137 Å²	137	64.7 Å²	64.7	60%	0.596	32%	0.324	S	S	*	.	H	α-helix	trans	-108.2	-5.2	-176.5	-68.4	-176.9	177.8	-179.2	0	113.9	A709 F710 F711	A709-K713 WeakPolarHBondContact O-CB 3.06Å; A709-K713 WeakPolarHBondContact O-CG 2.97Å; A709-K713 PolarHBondContact O-N 3.33Å; F710-K713 PolarHBondContact O-N 3.36Å; F711-K713 VanDerWaalsContact C-N 3.26Å; F711-K713 PolarHBondContact O-N 3.17Å
714	S	90.9	Very high	90	Very high	18 Å²	18	62.2 Å²	62.2	13%	0.126	33%	0.326	C	S	.	.			trans	-64	144.1	-178.6	-172.5	0	0	0	0	110.5	F710 F711 V716 F719 E720	F710-S714 WeakPolarHBondContact O-CB 3.3Å; F710-S714 PolarHBondContact O-N 2.89Å; F711-S714 PolarHBondContact O-N 2.76Å; S714-V716 PolarHBondContact OG-N 2.98Å; S714-F719 WeakPolarHBondContact OG-CB 3.14Å; S714-E720 VanDerWaalsContact O-CG 3.31Å; S714-E720 WeakPolarHBondContact O-CG 3.47Å
715	K	91.3	Very high	90.6	Very high	188 Å²	188	59.5 Å²	59.5	82%	0.817	31%	0.31	S	S	*	.			trans	-108.6	5	175.2	-64.3	-172.3	176.4	-174.4	0	113	E720	K715-E720 WeakPolarHBondContact CA-OE1 3.5Å
716	V	92.2	Very high	91.2	Very high	74 Å²	74	58.4 Å²	58.4	45%	0.448	30%	0.299	S	S	.	.	S	Bend	trans	-83.7	126.5	179.2	-179.8	0	0	0	0	107.9	S714 T718 F719 E720	S714-V716 PolarHBondContact OG-N 2.98Å; V716-T718 VanDerWaalsContact C-N 3.27Å; V716-T718 PolarHBondContact O-N 3.29Å; V716-T718 VanDerWaalsContact O-N 3.15Å; V716-F719 HydrophobicContact CB-CB 4.4Å; V716-F719 HydrophobicContact CB-CD2 3.62Å; V716-F719 HydrophobicContact CB-CE2 4.16Å; V716-F719 HydrophobicContact CB-CG 4.25Å; V716-F719 HydrophobicContact CG1-CD2 3.97Å; V716-F719 HydrophobicContact CG1-CE2 4.15Å; V716-F719 HydrophobicContact CG1-CG 4.47Å; V716-F719 HydrophobicContact CG2-CD2 4.02Å; V716-F719 HydrophobicContact CG2-CE2 4.29Å; V716-F719 PolarHBondContact O-N 3.15Å; V716-E720 PolarHBondContact O-N 2.03Å
717	S	91.6	Very high	91.5	Very high	75 Å²	75	60.3 Å²	60.3	52%	0.524	31%	0.311	S	S	.	.	H	α-helix	trans	-55.4	-36.7	-172.3	55.2	0	0	0	0	114.2	K721	S717-K721 VanDerWaalsContact O-CG 3.3Å; S717-K721 WeakPolarHBondContact O-CG 3.48Å; S717-K721 PolarHBondContact O-N 3.25Å; S717-K721 VanDerWaalsContact O-N 3.11Å
718	T	91.7	Very high	91.6	Very high	28 Å²	28	63.4 Å²	63.4	17%	0.172	33%	0.333	C	S	.	.	H	α-helix	trans	-63.6	-50.3	175.1	-55.6	0	0	0	0	110.8	D689 A692 V716 E720 K721 M722	D689-T718 WeakPolarHBondContact OD1-CB 2.9Å; D689-T718 WeakPolarHBondContact OD1-CG2 3.45Å; D689-T718 PolarHBondContact OD1-OG1 3.27Å; A692-T718 HydrophobicContact CB-CG2 3.6Å; V716-T718 VanDerWaalsContact C-N 3.27Å; V716-T718 PolarHBondContact O-N 3.29Å; V716-T718 VanDerWaalsContact O-N 3.15Å; T718-E720 PolarHBondContact O-N 3.39Å; T718-K721 WeakPolarHBondContact O-CB 3.47Å; T718-K721 PolarHBondContact O-N 3.3Å; T718-M722 HydrophobicContact CG2-SD 4.27Å; T718-M722 WeakPolarHBondContact O-CG 3.35Å; T718-M722 PolarHBondContact O-N 2.87Å
719	F	93.3	Very high	91.6	Very high	31 Å²	31	66.6 Å²	66.6	14%	0.136	34%	0.343	C	S	.	.	H	α-helix	trans	-70.4	-31.7	-176.8	-57.5	-29.2	0	0	0	112.5	A688 F710 F711 S714 V716 M722 W723 I776	A688-F719 HydrophobicContact CB-CE1 4.49Å; F710-F719 HydrophobicContact CE1-CD2 4.24Å; F710-F719 HydrophobicContact CZ-CD2 4.26Å; F710-F719 HydrophobicContact CZ-CE2 4.39Å; F711-F719 HydrophobicContact CD1-CB 3.86Å; F711-F719 HydrophobicContact CD1-CG 4.34Å; F711-F719 HydrophobicContact CE1-CB 3.99Å; F711-F719 AromaticContact CE1-CD1 3.78Å; F711-F719 HydrophobicContact CE1-CD1 3.78Å; F711-F719 AromaticContact CE1-CG 3.99Å; F711-F719 HydrophobicContact CE1-CG 3.99Å; S714-F719 WeakPolarHBondContact OG-CB 3.14Å; V716-F719 HydrophobicContact CB-CB 4.4Å; V716-F719 HydrophobicContact CB-CD2 3.62Å; V716-F719 HydrophobicContact CB-CE2 4.16Å; V716-F719 HydrophobicContact CB-CG 4.25Å; V716-F719 HydrophobicContact CG1-CD2 3.97Å; V716-F719 HydrophobicContact CG1-CE2 4.15Å; V716-F719 HydrophobicContact CG1-CG 4.47Å; V716-F719 HydrophobicContact CG2-CD2 4.02Å; V716-F719 HydrophobicContact CG2-CE2 4.29Å; V716-F719 PolarHBondContact O-N 3.15Å; F719-M722 HydrophobicContact CD1-SD 3.95Å; F719-M722 PolarHBondContact O-N 3.27Å; F719-W723 WeakPolarHBondContact O-CB 3.32Å; F719-W723 PolarHBondContact O-N 3.37Å; F719-I776 HydrophobicContact CE1-CG2 3.8Å; F719-I776 HydrophobicContact CE2-CG2 3.99Å; F719-I776 HydrophobicContact CZ-CG2 3.37Å
720	E	93.1	Very high	91.4	Very high	96 Å²	96	67.3 Å²	67.3	45%	0.449	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-43.9	170.2	-74.7	-176.3	162.5	0	0	111.4	S714 K715 V716 T718 W723 A724	S714-E720 VanDerWaalsContact O-CG 3.31Å; S714-E720 WeakPolarHBondContact O-CG 3.47Å; K715-E720 WeakPolarHBondContact CA-OE1 3.5Å; V716-E720 PolarHBondContact O-N 2.03Å; T718-E720 PolarHBondContact O-N 3.39Å; E720-W723 PolarHBondContact O-N 2.9Å; E720-A724 WeakPolarHBondContact O-CB 3.47Å; E720-A724 PolarHBondContact O-N 3.47Å
721	K	91.9	Very high	90.9	Very high	148 Å²	148	75.7 Å²	75.7	64%	0.643	37%	0.374	S	S	*	.	H	α-helix	trans	-62.7	-43.2	174.1	-74.4	175.4	-178.7	-178.4	0	111.8	S717 T718 W723 A724 F725	S717-K721 VanDerWaalsContact O-CG 3.3Å; S717-K721 WeakPolarHBondContact O-CG 3.48Å; S717-K721 PolarHBondContact O-N 3.25Å; S717-K721 VanDerWaalsContact O-N 3.11Å; T718-K721 WeakPolarHBondContact O-CB 3.47Å; T718-K721 PolarHBondContact O-N 3.3Å; K721-W723 VanDerWaalsContact C-N 3.32Å; K721-W723 PolarHBondContact O-N 3.37Å; K721-A724 PolarHBondContact O-N 3.45Å; K721-F725 PolarHBondContact O-N 3.11Å
722	M	92.9	Very high	90.4	Very high	0 Å²	0	78.1 Å²	78.1	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-60.7	-41.8	174.6	-69.2	177.7	79.9	0	0	111.6	A692 Y699 F711 T718 F719 F725 M726 I753	A692-M722 HydrophobicContact CB-CG 3.72Å; A692-M722 HydrophobicContact CB-SD 4.28Å; Y699-M722 HydrophobicContact CD2-CE 4.04Å; Y699-M722 HydrophobicContact CE2-CB 3.89Å; Y699-M722 HydrophobicContact CE2-CE 3.85Å; Y699-M722 HydrophobicContact CE2-CG 4.03Å; F711-M722 HydrophobicContact CE1-SD 4.24Å; T718-M722 HydrophobicContact CG2-SD 4.27Å; T718-M722 WeakPolarHBondContact O-CG 3.35Å; T718-M722 PolarHBondContact O-N 2.87Å; F719-M722 HydrophobicContact CD1-SD 3.95Å; F719-M722 PolarHBondContact O-N 3.27Å; M722-F725 PolarHBondContact O-N 3.37Å; M722-M726 HydrophobicContact CB-CE 4.28Å; M722-M726 WeakPolarHBondContact O-CB 3.2Å; M722-M726 WeakPolarHBondContact O-CG 3.46Å; M722-M726 PolarHBondContact O-N 2.88Å; M722-I753 HydrophobicContact CE-CD1 3.53Å
723	W	94	Very high	90.1	Very high	47 Å²	47	72 Å²	72	18%	0.178	36%	0.363	C	S	.	.	H	α-helix	trans	-66.1	-41.2	174.9	-178.1	-110.6	0	0	0	112.7	M708 F711 K712 F719 E720 K721 F725 M726 S727	M708-W723 HydrophobicContact CE-CH2 3.73Å; M708-W723 HydrophobicContact CG-CH2 3.77Å; M708-W723 HydrophobicContact CG-CZ3 3.73Å; F711-W723 HydrophobicContact CB-CB 4.24Å; F711-W723 HydrophobicContact CB-CD2 4.36Å; F711-W723 HydrophobicContact CB-CE3 3.77Å; K712-W723 HydrophobicContact CB-CD2 4.18Å; K712-W723 HydrophobicContact CB-CH2 4.11Å; K712-W723 HydrophobicContact CB-CZ2 3.7Å; K712-W723 HydrophobicContact CD-CZ2 3.97Å; K712-W723 HydrophobicContact CG-CZ2 3.73Å; F719-W723 WeakPolarHBondContact O-CB 3.32Å; F719-W723 PolarHBondContact O-N 3.37Å; E720-W723 PolarHBondContact O-N 2.9Å; K721-W723 VanDerWaalsContact C-N 3.32Å; K721-W723 PolarHBondContact O-N 3.37Å; W723-F725 VanDerWaalsContact C-N 3.3Å; W723-F725 PolarHBondContact O-N 2.7Å; W723-M726 HydrophobicContact CE3-CB 4.44Å; W723-M726 HydrophobicContact CE3-CE 4.06Å; W723-M726 PolarHBondContact O-N 2.97Å; W723-S727 VanDerWaalsContact O-CB 3.23Å; W723-S727 WeakPolarHBondContact O-CB 3.34Å; W723-S727 PolarHBondContact O-N 2.96Å; W723-S727 PolarHBondContact O-OG 3.46Å
724	A	92.5	Very high	90.2	Very high	54 Å²	54	66.4 Å²	66.4	45%	0.446	34%	0.339	S	S	.	.	H	α-helix	trans	-59.6	-42.5	174.2	0	0	0	0	0	111.1	E720 K721 S727 S728	E720-A724 WeakPolarHBondContact O-CB 3.47Å; E720-A724 PolarHBondContact O-N 3.47Å; K721-A724 PolarHBondContact O-N 3.45Å; A724-S727 WeakPolarHBondContact CA-OG 3.36Å; A724-S727 PolarHBondContact O-OG 2.91Å; A724-S727 VanDerWaalsContact O-OG 3.11Å; A724-S728 WeakPolarHBondContact O-CB 3.33Å; A724-S728 PolarHBondContact O-N 3.3Å; A724-S728 PolarHBondContact O-OG 2.93Å
725	F	92.7	Very high	90.2	Very high	29 Å²	29	65.7 Å²	65.7	13%	0.127	33%	0.334	C	S	.	.	H	α-helix	trans	-62	-52.4	173.5	-179.8	-94.5	0	0	0	111.8	Y699 K721 M722 W723 S727 S728 R729	Y699-F725 HydrophobicContact CD1-CD1 4.28Å; Y699-F725 HydrophobicContact CD1-CE1 4.01Å; Y699-F725 HydrophobicContact CD2-CD1 4.37Å; Y699-F725 AromaticContact CE1-CD1 3.67Å; Y699-F725 HydrophobicContact CE1-CD1 3.67Å; Y699-F725 AromaticContact CE1-CE1 3.7Å; Y699-F725 HydrophobicContact CE1-CE1 3.7Å; Y699-F725 HydrophobicContact CE1-CG 4.32Å; Y699-F725 HydrophobicContact CE1-CZ 4.38Å; Y699-F725 AromaticContact CE2-CD1 3.75Å; Y699-F725 HydrophobicContact CE2-CD1 3.75Å; Y699-F725 HydrophobicContact CE2-CE1 4.39Å; Y699-F725 AromaticContact CZ-CD1 3.37Å; Y699-F725 AromaticContact CZ-CE1 3.92Å; Y699-F725 AromaticContact CZ-CG 3.89Å; Y699-F725 WeakPolarHBondContact OH-CB 3.33Å; K721-F725 PolarHBondContact O-N 3.11Å; M722-F725 PolarHBondContact O-N 3.37Å; W723-F725 VanDerWaalsContact C-N 3.3Å; W723-F725 PolarHBondContact O-N 2.7Å; F725-S727 PolarHBondContact O-N 3.07Å; F725-S728 PolarHBondContact O-N 2.95Å; F725-S728 PolarHBondContact O-OG 3.11Å; F725-R729 PolarHBondContact O-N 3.01Å
726	M	93.5	Very high	90	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.2	-44.2	179.9	-73.3	-173.4	-85.4	0	0	112.3	Y699 V701 F711 M722 W723 S728 R729 S733	Y699-M726 HydrophobicContact CD2-CG 4.19Å; Y699-M726 HydrophobicContact CE2-CG 4.13Å; V701-M726 HydrophobicContact CG1-SD 4.04Å; V701-M726 HydrophobicContact CG2-SD 4.02Å; F711-M726 HydrophobicContact CB-CE 3.92Å; F711-M726 HydrophobicContact CD1-CE 4.05Å; F711-M726 HydrophobicContact CD2-CE 3.98Å; F711-M726 HydrophobicContact CG-CE 3.72Å; M722-M726 HydrophobicContact CB-CE 4.28Å; M722-M726 WeakPolarHBondContact O-CB 3.2Å; M722-M726 WeakPolarHBondContact O-CG 3.46Å; M722-M726 PolarHBondContact O-N 2.88Å; W723-M726 HydrophobicContact CE3-CB 4.44Å; W723-M726 HydrophobicContact CE3-CE 4.06Å; W723-M726 PolarHBondContact O-N 2.97Å; M726-S728 VanDerWaalsContact C-N 3.35Å; M726-S728 PolarHBondContact O-N 3.47Å; M726-R729 CarbonylContact O-C 3.6Å; M726-R729 PolarHBondContact O-N 3.16Å; M726-S733 PolarHBondContact O-OG 3.25Å
727	S	91.3	Very high	89.8	Confident	57 Å²	57	64.1 Å²	64.1	40%	0.399	33%	0.328	S	S	.	.	H	α-helix	trans	-70.4	-27.9	-179	60	0	0	0	0	113.3	W723 A724 F725 R729 P730	W723-S727 VanDerWaalsContact O-CB 3.23Å; W723-S727 WeakPolarHBondContact O-CB 3.34Å; W723-S727 PolarHBondContact O-N 2.96Å; W723-S727 PolarHBondContact O-OG 3.46Å; A724-S727 WeakPolarHBondContact CA-OG 3.36Å; A724-S727 PolarHBondContact O-OG 2.91Å; A724-S727 VanDerWaalsContact O-OG 3.11Å; F725-S727 PolarHBondContact O-N 3.07Å; S727-R729 PolarHBondContact O-N 3.39Å; S727-P730 WeakPolarHBondContact O-CD 3.47Å
728	S	92.1	Very high	89.7	Confident	79 Å²	79	61.8 Å²	61.8	55%	0.552	31%	0.311	S	S	*	.	H	α-helix	trans	-68.9	-22.4	172.5	75	0	0	0	0	113.2	A724 F725 M726	A724-S728 WeakPolarHBondContact O-CB 3.33Å; A724-S728 PolarHBondContact O-N 3.3Å; A724-S728 PolarHBondContact O-OG 2.93Å; F725-S728 PolarHBondContact O-N 2.95Å; F725-S728 PolarHBondContact O-OG 3.11Å; M726-S728 VanDerWaalsContact C-N 3.35Å; M726-S728 PolarHBondContact O-N 3.47Å
729	R	90.1	Very high	89.6	Confident	104 Å²	104	65.8 Å²	65.8	39%	0.392	33%	0.328	S	S	.	.			trans	-130.5	55.8	-175.7	-62	-179.4	-172.5	172.2	4	113.4	F725 M726 S727 R731 T732 S733	F725-R729 PolarHBondContact O-N 3.01Å; M726-R729 CarbonylContact O-C 3.6Å; M726-R729 PolarHBondContact O-N 3.16Å; S727-R729 PolarHBondContact O-N 3.39Å; R729-R731 PolarHBondContact O-N 2.94Å; R729-T732 WeakPolarHBondContact CB-OG1 3.47Å; R729-T732 PolarHBondContact O-N 2.92Å; R729-S733 PolarHBondContact O-N 3.05Å; R729-S733 PolarHBondContact O-OG 3.17Å
730	P	83	Confident	89.5	Confident	63 Å²	63	68.2 Å²	68.2	41%	0.409	34%	0.342	S	S	.	.	H	α-helix	trans	-67	-18.9	-168.9	28.8	-35.7	0	0	0	114.3	R703 S727 L734	R703-P730 PolarHBondContact NH2-O 2.82Å; S727-P730 WeakPolarHBondContact O-CD 3.47Å; P730-L734 HydrophobicContact CB-CD1 4.14Å
731	R	81.1	Confident	89.4	Confident	232 Å²	232	63.7 Å²	63.7	88%	0.875	32%	0.321	S	S	*	.	H	α-helix	trans	-78.5	-30.5	175.5	-69.2	-173.8	-179	177	0.9	112.6	R729	R729-R731 PolarHBondContact O-N 2.94Å
732	T	79.4	Confident	89.5	Confident	51 Å²	51	57 Å²	57	31%	0.313	29%	0.292	S	S	.	.	H	α-helix	trans	-104.5	-29.6	-177.8	65.7	0	0	0	0	112.3	E698 R729 R744	E698-T732 PolarHBondContact OE1-OG1 2.65Å; R729-T732 WeakPolarHBondContact CB-OG1 3.47Å; R729-T732 PolarHBondContact O-N 2.92Å; T732-R744 PolarHBondContact O-NH1 3.23Å; T732-R744 PolarHBondContact O-NH2 2.95Å
733	S	84.8	Confident	89.5	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.014	31%	0.309	C	S	.	.	H	α-helix	trans	-83.9	-34.4	179.4	62.3	0	0	0	0	113.8	Y699 G700 V701 M726 R729 Y750	Y699-S733 WeakPolarHBondContact O-CB 3.09Å; G700-S733 VanDerWaalsContact CA-O 3.24Å; G700-S733 WeakPolarHBondContact CA-O 3.18Å; V701-S733 PolarHBondContact N-O 3.32Å; M726-S733 PolarHBondContact O-OG 3.25Å; R729-S733 PolarHBondContact O-N 3.05Å; R729-S733 PolarHBondContact O-OG 3.17Å; S733-Y750 PolarHBondContact O-OH 2.95Å
734	L	90.9	Very high	89.4	Confident	19 Å²	19	61.1 Å²	61.1	10%	0.099	31%	0.312	C	S	.	.			trans	-99.7	121.4	-170.4	-57.1	177.4	0	0	0	112.6	V701 R703 M708 P730	V701-L734 HydrophobicContact CG2-CD2 3.54Å; V701-L734 WeakPolarHBondContact O-CA 3.33Å; R703-L734 HydrophobicContact CG-CB 3.73Å; R703-L734 HydrophobicContact CG-CD1 4.43Å; R703-L734 PolarHBondContact NE-O 3.19Å; M708-L734 HydrophobicContact CE-CD1 4.19Å; P730-L734 HydrophobicContact CB-CD1 4.14Å
735	V	90.6	Very high	89.4	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.018	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-97	155.7	179.4	-60.8	0	0	0	0	112	V701 V702 R703 L752	V701-V735 PolarHBondContact O-N 3.08Å; V701-V735 VanDerWaalsContact O-N 3.11Å; V702-V735 WeakPolarHBondContact CA-O 3.41Å; V702-V735 HydrophobicContact CB-CG2 4.4Å; V702-V735 HydrophobicContact CG2-CG2 3.92Å; R703-V735 WeakPolarHBondContact CG-O 3.31Å; R703-V735 PolarHBondContact N-O 2.6Å; V735-L752 HydrophobicContact CG2-CD1 3.85Å
736	K	87.9	Confident	89.3	Confident	168 Å²	168	59.9 Å²	59.9	73%	0.73	30%	0.298	S	S	*	.	S	Bend	trans	-82	-36	-177.3	-67.5	179.6	-177.4	175.1	0	113.3
737	S	87.6	Confident	89.2	Confident	60 Å²	60	68 Å²	68	42%	0.42	33%	0.334	S	S	.	.	S	Bend	trans	-141.2	159.8	-176.5	169	0	0	0	0	109.2	E739 D740 G741	S737-E739 VanDerWaalsContact C-N 3.28Å; S737-E739 PolarHBondContact O-N 2.92Å; S737-E739 PolarHBondContact OG-N 2.79Å; S737-D740 PolarHBondContact O-N 2.83Å; S737-G741 PolarHBondContact O-N 2.86Å; S737-G741 VanDerWaalsContact O-N 3.15Å
738	V	89.1	Confident	88.9	Confident	27 Å²	27	67.4 Å²	67.4	16%	0.164	33%	0.33	C	S	.	.	H	α-helix	trans	-57.7	-43.5	173	178.5	0	0	0	0	110.5	V702 D740 G741 V742 T758 I762	V702-V738 HydrophobicContact CG2-CG2 4.04Å; V738-D740 PolarHBondContact O-N 2.86Å; V738-G741 CarbonylContact O-C 3.56Å; V738-G741 WeakPolarHBondContact O-CA 3.37Å; V738-G741 PolarHBondContact O-N 2.77Å; V738-V742 HydrophobicContact CG1-CG2 4.25Å; V738-V742 WeakPolarHBondContact O-CG2 3.5Å; V738-V742 PolarHBondContact O-N 2.82Å; V738-T758 HydrophobicContact CG1-CG2 3.81Å; V738-I762 HydrophobicContact CG1-CD1 4.01Å
739	E	90	Very high	88.7	Confident	112 Å²	112	67 Å²	67	52%	0.523	32%	0.321	S	S	.	.	H	α-helix	trans	-61.3	-42.9	-179.1	-174.2	57.3	-143.8	0	0	112.3	S737 G741 V742 Q743	S737-E739 VanDerWaalsContact C-N 3.28Å; S737-E739 PolarHBondContact O-N 2.92Å; S737-E739 PolarHBondContact OG-N 2.79Å; E739-G741 VanDerWaalsContact C-N 3.27Å; E739-G741 PolarHBondContact O-N 2.79Å; E739-V742 PolarHBondContact O-N 3.45Å; E739-Q743 WeakPolarHBondContact O-CG 3.44Å; E739-Q743 PolarHBondContact O-N 2.9Å; E739-Q743 PolarHBondContact OE1-NE2 2.81Å
740	D	91.3	Very high	88.8	Confident	82 Å²	82	62.1 Å²	62.1	44%	0.439	30%	0.303	S	S	.	.	H	α-helix	trans	-60.9	-38.9	174.7	-176.4	42.8	0	0	0	111.2	S737 V738 R744	S737-D740 PolarHBondContact O-N 2.83Å; V738-D740 PolarHBondContact O-N 2.86Å; D740-R744 WeakPolarHBondContact O-CB 3.4Å; D740-R744 PolarHBondContact O-N 3.43Å
741	G	91.8	Very high	89.3	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-46.9	172.5	0	0	0	0	0	113.2	S737 V738 E739 R744 V745	S737-G741 PolarHBondContact O-N 2.86Å; S737-G741 VanDerWaalsContact O-N 3.15Å; V738-G741 CarbonylContact O-C 3.56Å; V738-G741 WeakPolarHBondContact O-CA 3.37Å; V738-G741 PolarHBondContact O-N 2.77Å; E739-G741 VanDerWaalsContact C-N 3.27Å; E739-G741 PolarHBondContact O-N 2.79Å; G741-R744 WeakPolarHBondContact O-CB 3.46Å; G741-R744 PolarHBondContact O-N 2.58Å; G741-R744 VanDerWaalsContact O-N 3.16Å; G741-V745 WeakPolarHBondContact O-CG2 3.42Å; G741-V745 PolarHBondContact O-N 3.21Å
742	V	92.6	Very high	89.9	Confident	7 Å²	7	48.1 Å²	48.1	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-47.7	179.2	174.3	0	0	0	0	111.1	L558 V738 E739 R744 V745 L746 I762 L769	L558-V742 HydrophobicContact CD2-CG2 4.01Å; V738-V742 HydrophobicContact CG1-CG2 4.25Å; V738-V742 WeakPolarHBondContact O-CG2 3.5Å; V738-V742 PolarHBondContact O-N 2.82Å; E739-V742 PolarHBondContact O-N 3.45Å; V742-R744 PolarHBondContact O-N 3.11Å; V742-V745 PolarHBondContact O-N 3.35Å; V742-L746 HydrophobicContact CG1-CD1 4.3Å; V742-L746 WeakPolarHBondContact O-CG 3.33Å; V742-L746 PolarHBondContact O-N 2.98Å; V742-L746 VanDerWaalsContact O-N 3.12Å; V742-I762 HydrophobicContact CG1-CG2 4.16Å; V742-I762 HydrophobicContact CG2-CD1 3.51Å; V742-I762 HydrophobicContact CG2-CG1 4.3Å; V742-I762 HydrophobicContact CG2-CG2 4.28Å; V742-L769 HydrophobicContact CG1-CD1 3.83Å
743	Q	92.5	Very high	90.6	Very high	76 Å²	76	45.8 Å²	45.8	36%	0.355	23%	0.228	S	C	.	.	H	α-helix	trans	-59	-33.4	176.9	-69.4	-61.2	-36.4	0	0	112.2	E739 K747	E739-Q743 WeakPolarHBondContact O-CG 3.44Å; E739-Q743 PolarHBondContact O-N 2.9Å; E739-Q743 PolarHBondContact OE1-NE2 2.81Å; Q743-K747 VanDerWaalsContact O-CG 3.31Å; Q743-K747 WeakPolarHBondContact O-CG 3.39Å; Q743-K747 PolarHBondContact O-N 3.15Å
744	R	91.8	Very high	91	Very high	59 Å²	59	46 Å²	46	22%	0.223	23%	0.229	C	C	.	.	H	α-helix	trans	-75.1	-40.2	178.1	-172.1	169.2	-178.8	-175.9	-12	113.4	E698 T732 D740 G741 V742 L746 K747 S748 Y750	E698-R744 IonicContact OE2-NH2 2.91Å; E698-R744 PolarHBondContact OE2-NH2 2.76Å; T732-R744 PolarHBondContact O-NH1 3.23Å; T732-R744 PolarHBondContact O-NH2 2.95Å; D740-R744 WeakPolarHBondContact O-CB 3.4Å; D740-R744 PolarHBondContact O-N 3.43Å; G741-R744 WeakPolarHBondContact O-CB 3.46Å; G741-R744 PolarHBondContact O-N 2.58Å; G741-R744 VanDerWaalsContact O-N 3.16Å; V742-R744 PolarHBondContact O-N 3.11Å; R744-L746 PolarHBondContact O-N 2.9Å; R744-K747 PolarHBondContact O-N 3.43Å; R744-S748 WeakPolarHBondContact CG-OG 3.43Å; R744-S748 PolarHBondContact O-N 2.96Å; R744-S748 PolarHBondContact O-OG 3.35Å; R744-Y750 HydrophobicContact CB-CD1 4.27Å; R744-Y750 HydrophobicContact CG-CD1 3.97Å; R744-Y750 HydrophobicContact CG-CG 4.04Å
745	V	92.6	Very high	91	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.2	-36.8	173.7	176.6	0	0	0	0	110.6	G741 V742 Y750 L752 L769	G741-V745 WeakPolarHBondContact O-CG2 3.42Å; G741-V745 PolarHBondContact O-N 3.21Å; V742-V745 PolarHBondContact O-N 3.35Å; V745-Y750 HydrophobicContact CG2-CD1 3.78Å; V745-Y750 HydrophobicContact CG2-CE1 4.3Å; V745-Y750 WeakPolarHBondContact CG2-O 3.27Å; V745-L752 HydrophobicContact CG2-CB 3.63Å; V745-L769 HydrophobicContact CB-CD2 4.23Å; V745-L769 HydrophobicContact CG1-CD2 3.52Å
746	L	91.5	Very high	91.2	Very high	56 Å²	56	46.8 Å²	46.8	29%	0.293	23%	0.234	S	C	.	.	H	α-helix	trans	-70.7	-34.4	177.6	-70.7	168.1	0	0	0	113.6	V742 R744 N766 N768 L769	V742-L746 HydrophobicContact CG1-CD1 4.3Å; V742-L746 WeakPolarHBondContact O-CG 3.33Å; V742-L746 PolarHBondContact O-N 2.98Å; V742-L746 VanDerWaalsContact O-N 3.12Å; R744-L746 PolarHBondContact O-N 2.9Å; L746-N766 WeakPolarHBondContact CD1-ND2 3.45Å; L746-N768 HydrophobicContact CD2-CB 4Å; L746-L769 HydrophobicContact CD2-CD1 4.21Å; L746-L769 HydrophobicContact CD2-CD2 3.69Å; L746-L769 HydrophobicContact CD2-CG 3.84Å; L746-L769 HydrophobicContact CG-CD1 4.39Å; L746-L769 HydrophobicContact CG-CD2 4.09Å; L746-L769 HydrophobicContact CG-CG 4.44Å
747	K	90.4	Very high	91.4	Very high	171 Å²	171	39.1 Å²	39.1	74%	0.743	20%	0.201	S	C	*	.	H	α-helix	trans	-93	-23.2	-172.6	-70.9	175.7	-175.8	176.5	0	114.4	Q743 R744	Q743-K747 VanDerWaalsContact O-CG 3.31Å; Q743-K747 WeakPolarHBondContact O-CG 3.39Å; Q743-K747 PolarHBondContact O-N 3.15Å; R744-K747 PolarHBondContact O-N 3.43Å
748	S	86.8	Confident	91.5	Very high	45 Å²	45	36.6 Å²	36.6	32%	0.315	18%	0.183	S	C	.	.	S	Bend	trans	-140.6	163.2	-170.8	61.2	0	0	0	0	111.7	R744 Y750	R744-S748 WeakPolarHBondContact CG-OG 3.43Å; R744-S748 PolarHBondContact O-N 2.96Å; R744-S748 PolarHBondContact O-OG 3.35Å; S748-Y750 PolarHBondContact O-N 3.27Å
749	D	87.7	Confident	91.7	Very high	70 Å²	70	35.3 Å²	35.3	37%	0.374	18%	0.175	S	C	.	.	S	Bend	trans	-73.9	69.5	171.6	-74.1	-26.1	0	0	0	110.4	Y559 R560 E698	Y559-D749 PolarHBondContact OH-OD1 3.21Å; R560-D749 IonicContact CZ-OD1 3.52Å; R560-D749 VanDerWaalsContact CZ-OD1 3.24Å; R560-D749 IonicContact NE-OD1 2.77Å; R560-D749 PolarHBondContact NE-OD1 3.47Å; R560-D749 IonicContact NH2-OD1 3.38Å; R560-D749 PolarHBondContact NH2-OD1 2.83Å; E698-D749 PolarHBondContact N-O 3.35Å
750	Y	91.8	Very high	91.7	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.4	-178.8	176.3	-96.5	0	0	0	110.4	Y559 E698 G700 S733 R744 V745 S748 L752	Y559-Y750 WeakPolarHBondContact CD2-O 3.28Å; E698-Y750 HydrophobicContact CB-CD2 3.81Å; E698-Y750 CarbonylContact O-C 3.57Å; E698-Y750 VanDerWaalsContact O-CA 3.25Å; E698-Y750 WeakPolarHBondContact O-CA 3.45Å; E698-Y750 WeakPolarHBondContact O-CD2 3.24Å; G700-Y750 VanDerWaalsContact C-OH 3.24Å; G700-Y750 WeakPolarHBondContact CA-OH 3.45Å; G700-Y750 PolarHBondContact N-OH 3.3Å; G700-Y750 PolarHBondContact O-OH 3.37Å; S733-Y750 PolarHBondContact O-OH 2.95Å; R744-Y750 HydrophobicContact CB-CD1 4.27Å; R744-Y750 HydrophobicContact CG-CD1 3.97Å; R744-Y750 HydrophobicContact CG-CG 4.04Å; V745-Y750 HydrophobicContact CG2-CD1 3.78Å; V745-Y750 HydrophobicContact CG2-CE1 4.3Å; V745-Y750 WeakPolarHBondContact CG2-O 3.27Å; S748-Y750 PolarHBondContact O-N 3.27Å; Y750-L752 HydrophobicContact CE1-CB 4.01Å; Y750-L752 HydrophobicContact CE1-CD1 4.22Å
751	A	92.4	Very high	91.7	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.017	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.1	174.9	0	0	0	0	0	110.9	I557 Y559 I691 I697 E698 Y699 G700	I557-A751 HydrophobicContact CG2-CB 3.92Å; Y559-A751 HydrophobicContact CD2-CB 3.96Å; I691-A751 HydrophobicContact CD1-CB 4.45Å; I697-A751 HydrophobicContact CG2-CB 4.23Å; E698-A751 PolarHBondContact O-N 2.88Å; Y699-A751 WeakPolarHBondContact CA-O 3.04Å; Y699-A751 WeakPolarHBondContact CB-O 3.36Å; G700-A751 PolarHBondContact N-O 2.83Å
752	L	94	Very high	91.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.1	177.8	179.9	69	0	0	0	109.7	L558 V735 V745 Y750 T754	L558-L752 HydrophobicContact CB-CB 4.29Å; L558-L752 HydrophobicContact CD2-CD2 4.29Å; L558-L752 PolarHBondContact N-O 3.43Å; L558-L752 PolarHBondContact O-N 3.33Å; V735-L752 HydrophobicContact CG2-CD1 3.85Å; V745-L752 HydrophobicContact CG2-CB 3.63Å; Y750-L752 HydrophobicContact CE1-CB 4.01Å; Y750-L752 HydrophobicContact CE1-CD1 4.22Å; L752-T754 HydrophobicContact CD2-CG2 4.27Å; L752-T754 HydrophobicContact CG-CG2 4.43Å
753	I	94.3	Very high	91.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	111.9	175.9	-55.7	173	0	0	0	108	I555 I557 Y699 G700 V701 T707 F711 M722	I555-I753 HydrophobicContact CG2-CG2 3.25Å; I557-I753 HydrophobicContact CG1-CG1 4.26Å; Y699-I753 HydrophobicContact CD2-CD1 4.04Å; G700-I753 PolarHBondContact O-N 3.09Å; V701-I753 HydrophobicContact CG1-CB 3.9Å; V701-I753 HydrophobicContact CG1-CG2 4.29Å; T707-I753 HydrophobicContact CG2-CG2 4.11Å; F711-I753 HydrophobicContact CE2-CG2 3.83Å; F711-I753 HydrophobicContact CZ-CD1 4.39Å; F711-I753 HydrophobicContact CZ-CG2 4.1Å; M722-I753 HydrophobicContact CE-CD1 3.53Å
754	T	92.6	Very high	91.1	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.043	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	-178.9	-176	-163.9	0	0	0	0	111.5	S556 L752 I759	S556-T754 PolarHBondContact N-O 2.94Å; S556-T754 PolarHBondContact O-N 3.47Å; L752-T754 HydrophobicContact CD2-CG2 4.27Å; L752-T754 HydrophobicContact CG-CG2 4.43Å; T754-I759 HydrophobicContact CG2-CD1 3.83Å; T754-I759 HydrophobicContact CG2-CG1 3.51Å
755	E	92.2	Very high	90.9	Very high	24 Å²	24	33.1 Å²	33.1	11%	0.112	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	139.1	-177.4	-65	164.7	149.1	0	0	111.2	T535 M553 T757 T758 I759 Y781	T535-E755 PolarHBondContact OG1-OE1 3.03Å; M553-E755 HydrophobicContact CE-CB 4.14Å; M553-E755 HydrophobicContact CE-CG 3.55Å; M553-E755 WeakPolarHBondContact CE-OE1 3.4Å; M553-E755 HydrophobicContact SD-CB 4.4Å; M553-E755 HydrophobicContact SD-CG 4.18Å; E755-T757 VanDerWaalsContact C-N 3.31Å; E755-T757 PolarHBondContact O-N 3.49Å; E755-T758 WeakPolarHBondContact O-CB 2.89Å; E755-T758 PolarHBondContact O-N 3.14Å; E755-T758 VanDerWaalsContact O-N 3.13Å; E755-I759 PolarHBondContact O-N 3.23Å; E755-I759 VanDerWaalsContact O-N 3.1Å; E755-Y781 VanDerWaalsContact CD-OH 3.24Å; E755-Y781 PolarHBondContact OE2-OH 2.97Å
756	S	93.5	Very high	90.6	Very high	15 Å²	15	35.1 Å²	35.1	11%	0.105	17%	0.169	C	C	.	.	H	α-helix	trans	-62.8	-33.4	-172.4	59	0	0	0	0	113.7	G554 T758 I759 D760 L775	G554-S756 PolarHBondContact N-OG 3.14Å; G554-S756 WeakPolarHBondContact O-CB 3.42Å; G554-S756 PolarHBondContact O-N 3.24Å; G554-S756 PolarHBondContact O-OG 2.88Å; S756-T758 VanDerWaalsContact C-N 3.28Å; S756-T758 PolarHBondContact O-N 3.32Å; S756-I759 PolarHBondContact O-N 3.03Å; S756-D760 WeakPolarHBondContact O-CB 3.49Å; S756-D760 PolarHBondContact O-N 3.42Å; S756-L775 WeakPolarHBondContact OG-CD2 3.42Å
757	T	92	Very high	90.4	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.037	17%	0.167	C	C	.	.	H	α-helix	trans	-64.9	-35.8	177.2	51.3	0	0	0	0	112	Y461 M551 M553 E755 Y761 Y781 W816	Y461-T757 WeakPolarHBondContact OH-CB 3.34Å; Y461-T757 PolarHBondContact OH-OG1 3.24Å; M551-T757 HydrophobicContact CG-CG2 4.23Å; M551-T757 HydrophobicContact SD-CG2 3.65Å; M553-T757 HydrophobicContact CB-CG2 3.66Å; E755-T757 VanDerWaalsContact C-N 3.31Å; E755-T757 PolarHBondContact O-N 3.49Å; T757-Y761 PolarHBondContact O-N 2.65Å; T757-Y781 HydrophobicContact CG2-CE2 4.46Å; T757-Y781 PolarHBondContact OG1-OH 2.87Å; T757-W816 PolarHBondContact O-NE1 2.91Å
758	T	91.1	Very high	90.3	Very high	7 Å²	7	31.2 Å²	31.2	4%	0.043	16%	0.16	C	C	.	.	H	α-helix	trans	-72.9	-40	176.8	-49.7	0	0	0	0	110	V738 E755 S756 Y761 I762	V738-T758 HydrophobicContact CG1-CG2 3.81Å; E755-T758 WeakPolarHBondContact O-CB 2.89Å; E755-T758 PolarHBondContact O-N 3.14Å; E755-T758 VanDerWaalsContact O-N 3.13Å; S756-T758 VanDerWaalsContact C-N 3.28Å; S756-T758 PolarHBondContact O-N 3.32Å; T758-Y761 PolarHBondContact O-N 2.7Å; T758-I762 HydrophobicContact CG2-CD1 3.94Å; T758-I762 VanDerWaalsContact O-CD1 3.31Å; T758-I762 WeakPolarHBondContact O-CD1 3.26Å; T758-I762 VanDerWaalsContact O-CG1 3.24Å; T758-I762 WeakPolarHBondContact O-CG1 3.39Å; T758-I762 PolarHBondContact O-N 3.5Å
759	I	92.4	Very high	90.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.4	-51.9	173.4	-67.7	174.9	0	0	0	110.9	S556 L558 T754 E755 S756 Y761 I762 T763 Q771	S556-I759 VanDerWaalsContact C-CD1 3.5Å; L558-I759 HydrophobicContact CB-CD1 4.11Å; L558-I759 HydrophobicContact CB-CG1 4.08Å; L558-I759 HydrophobicContact CD1-CG1 4.4Å; L558-I759 HydrophobicContact CD1-CG2 3.92Å; T754-I759 HydrophobicContact CG2-CD1 3.83Å; T754-I759 HydrophobicContact CG2-CG1 3.51Å; E755-I759 PolarHBondContact O-N 3.23Å; E755-I759 VanDerWaalsContact O-N 3.1Å; S756-I759 PolarHBondContact O-N 3.03Å; I759-Y761 VanDerWaalsContact C-N 3.28Å; I759-Y761 PolarHBondContact O-N 2.96Å; I759-I762 PolarHBondContact O-N 3Å; I759-T763 HydrophobicContact CG2-CG2 4.01Å; I759-T763 WeakPolarHBondContact O-CG2 3.37Å; I759-T763 PolarHBondContact O-N 3.33Å; I759-T763 PolarHBondContact O-OG1 3.28Å; I759-Q771 HydrophobicContact CG2-CB 3.71Å; I759-Q771 HydrophobicContact CG2-CG 3.98Å
760	D	90.4	Very high	90.4	Very high	36 Å²	36	27.2 Å²	27.2	19%	0.193	14%	0.136	C	C	.	.	H	α-helix	trans	-52.2	-48.4	178.4	-176.1	13.7	0	0	0	110.8	S756 I762 T763 R764 K812	S756-D760 WeakPolarHBondContact O-CB 3.49Å; S756-D760 PolarHBondContact O-N 3.42Å; D760-I762 PolarHBondContact O-N 3.22Å; D760-T763 WeakPolarHBondContact CA-OG1 3.25Å; D760-T763 PolarHBondContact O-N 3.25Å; D760-T763 PolarHBondContact O-OG1 2.89Å; D760-R764 WeakPolarHBondContact O-CG 3.46Å; D760-R764 PolarHBondContact O-N 3.19Å; D760-R764 IonicContact OD1-CZ 3.87Å; D760-R764 IonicContact OD1-NE 3.58Å; D760-R764 PolarHBondContact OD1-NE 3.15Å; D760-R764 IonicContact OD1-NH2 3.8Å; D760-R764 IonicContact OD2-NE 2.84Å; D760-R764 IonicContact OD2-NH2 3.84Å; D760-K812 IonicContact OD2-NZ 3.14Å
761	Y	90.4	Very high	90.4	Very high	13 Å²	13	31 Å²	31	5%	0.051	15%	0.154	C	C	.	.	H	α-helix	trans	-58.4	-46.1	176.2	-179.3	-112.5	0	0	0	113.6	E459 P460 T757 T758 I759 R765	E459-Y761 HydrophobicContact CB-CE1 3.99Å; E459-Y761 PolarHBondContact OE2-OH 2.96Å; P460-Y761 HydrophobicContact CB-CD2 4.11Å; P460-Y761 HydrophobicContact CB-CE2 3.42Å; P460-Y761 VanDerWaalsContact CB-CE2 3.42Å; P460-Y761 HydrophobicContact CG-CD2 3.62Å; P460-Y761 HydrophobicContact CG-CE1 4.48Å; P460-Y761 HydrophobicContact CG-CE2 3.49Å; P460-Y761 VanDerWaalsContact CG-CE2 3.49Å; P460-Y761 HydrophobicContact CG-CG 4.15Å; T757-Y761 PolarHBondContact O-N 2.65Å; T758-Y761 PolarHBondContact O-N 2.7Å; I759-Y761 VanDerWaalsContact C-N 3.28Å; I759-Y761 PolarHBondContact O-N 2.96Å; Y761-R765 PolarHBondContact OH-NH1 2.79Å; Y761-R765 PolarHBondContact OH-NH2 3.05Å
762	I	90.6	Very high	90.1	Very high	21 Å²	21	31.3 Å²	31.3	11%	0.108	16%	0.155	C	C	.	.	H	α-helix	trans	-67.9	-43.7	180	-68.1	158.7	0	0	0	110.6	L558 V738 V742 T758 I759 D760 R764 R765 N766 L769	L558-I762 HydrophobicContact CD2-CD1 4.42Å; L558-I762 HydrophobicContact CD2-CG2 4.42Å; V738-I762 HydrophobicContact CG1-CD1 4.01Å; V742-I762 HydrophobicContact CG1-CG2 4.16Å; V742-I762 HydrophobicContact CG2-CD1 3.51Å; V742-I762 HydrophobicContact CG2-CG1 4.3Å; V742-I762 HydrophobicContact CG2-CG2 4.28Å; T758-I762 HydrophobicContact CG2-CD1 3.94Å; T758-I762 VanDerWaalsContact O-CD1 3.31Å; T758-I762 WeakPolarHBondContact O-CD1 3.26Å; T758-I762 VanDerWaalsContact O-CG1 3.24Å; T758-I762 WeakPolarHBondContact O-CG1 3.39Å; T758-I762 PolarHBondContact O-N 3.5Å; I759-I762 PolarHBondContact O-N 3Å; D760-I762 PolarHBondContact O-N 3.22Å; I762-R764 PolarHBondContact O-N 3.43Å; I762-R765 PolarHBondContact O-N 2.82Å; I762-N766 PolarHBondContact O-N 3.29Å; I762-L769 HydrophobicContact CG2-CD1 3.51Å
763	T	88.9	Confident	89.7	Confident	26 Å²	26	33 Å²	33	16%	0.16	17%	0.172	C	C	.	.	H	α-helix	trans	-68	-32.9	-176.6	50.3	0	0	0	0	113	L558 I759 D760 R765 L769 C821	L558-T763 HydrophobicContact CD1-CG2 3.97Å; I759-T763 HydrophobicContact CG2-CG2 4.01Å; I759-T763 WeakPolarHBondContact O-CG2 3.37Å; I759-T763 PolarHBondContact O-N 3.33Å; I759-T763 PolarHBondContact O-OG1 3.28Å; D760-T763 WeakPolarHBondContact CA-OG1 3.25Å; D760-T763 PolarHBondContact O-N 3.25Å; D760-T763 PolarHBondContact O-OG1 2.89Å; T763-R765 PolarHBondContact O-N 3.46Å; T763-L769 HydrophobicContact CG2-CB 4.37Å; T763-C821 PolarHBondContact O-SG 3.27Å; T763-C821 VanDerWaalsContact O-SG 3.37Å
764	R	86.5	Confident	89.3	Confident	73 Å²	73	35.6 Å²	35.6	28%	0.275	20%	0.2	S	C	.	.	H	α-helix	trans	-64.9	-28.8	174.5	-72.9	-179	-171.3	-147.1	-2.7	112.6	D760 I762 E813 W816 C821	D760-R764 WeakPolarHBondContact O-CG 3.46Å; D760-R764 PolarHBondContact O-N 3.19Å; D760-R764 IonicContact OD1-CZ 3.87Å; D760-R764 IonicContact OD1-NE 3.58Å; D760-R764 PolarHBondContact OD1-NE 3.15Å; D760-R764 IonicContact OD1-NH2 3.8Å; D760-R764 IonicContact OD2-NE 2.84Å; D760-R764 IonicContact OD2-NH2 3.84Å; I762-R764 PolarHBondContact O-N 3.43Å; R764-E813 IonicContact NH1-OE2 3.66Å; R764-E813 IonicContact NH2-OE1 3.12Å; R764-W816 WeakPolarHBondContact CD-O 3.24Å; R764-W816 PolarHBondContact NH1-O 2.93Å; R764-C821 PolarHBondContact O-N 2.82Å
765	R	86.6	Confident	89.2	Confident	121 Å²	121	40.4 Å²	40.4	46%	0.457	23%	0.225	S	C	.	.	H	α-helix	trans	-94.8	-30.2	-179.7	-68	-176.9	175	177.8	3.4	114	E459 Y761 I762 T763	E459-R765 IonicContact OE2-NH1 2.85Å; Y761-R765 PolarHBondContact OH-NH1 2.79Å; Y761-R765 PolarHBondContact OH-NH2 3.05Å; I762-R765 PolarHBondContact O-N 2.82Å; T763-R765 PolarHBondContact O-N 3.46Å
766	N	86.9	Confident	89.1	Confident	42 Å²	42	41 Å²	41	23%	0.225	23%	0.229	C	C	.	.			trans	-125.7	101.7	-176.7	-169.5	-11.4	0	0	0	111.1	L746 I762 N768 L769	L746-N766 WeakPolarHBondContact CD1-ND2 3.45Å; I762-N766 PolarHBondContact O-N 3.29Å; N766-N768 PolarHBondContact O-N 3.32Å; N766-N768 WeakPolarHBondContact OD1-CB 3.3Å; N766-N768 PolarHBondContact OD1-N 3.09Å; N766-L769 HydrophobicContact CB-CD1 4.14Å; N766-L769 PolarHBondContact O-N 3.43Å
767	C	86	Confident	88.9	Confident	37 Å²	37	41.6 Å²	41.6	25%	0.25	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-11.1	-174.6	-42	0	0	0	0	114	R561 L769 G820 C821	R561-C767 WeakPolarHBondContact CD-O 3.43Å; R561-C767 PolarHBondContact NE-O 3.45Å; C767-L769 PolarHBondContact O-N 3.3Å; C767-G820 VanDerWaalsContact SG-C 3.6Å; C767-G820 PolarHBondContact SG-O 3.28Å; C767-C821 WeakPolarHBondContact CA-SG 3.38Å; C767-C821 HydrophobicContact CB-CB 4.13Å; C767-C821 WeakPolarHBondContact CB-SG 3.41Å; C767-C821 PolarHBondContact N-SG 2.92Å; C767-C821 WeakPolarHBondContact SG-CA 3.28Å; C767-C821 WeakPolarHBondContact SG-CB 3.33Å; C767-C821 PolarHBondContact SG-N 3.34Å; C767-C821 VanDerWaalsContact SG-N 3.41Å; C767-C821 CovalentContact SG-SG 2.03Å; C767-C821 PolarHBondContact SG-SG 3.02Å
768	N	88.1	Confident	88.7	Confident	109 Å²	109	46.9 Å²	46.9	58%	0.583	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-2.8	174.3	-64.5	-22.9	0	0	0	112.1	R560 R561 L746 N766	R560-N768 CarbonylContact C-O 3.56Å; R560-N768 WeakPolarHBondContact CA-O 3.42Å; R561-N768 PolarHBondContact N-O 3.26Å; L746-N768 HydrophobicContact CD2-CB 4Å; N766-N768 PolarHBondContact O-N 3.32Å; N766-N768 WeakPolarHBondContact OD1-CB 3.3Å; N766-N768 PolarHBondContact OD1-N 3.09Å
769	L	89.7	Confident	88.7	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	147.6	179.8	-61.7	172.1	0	0	0	109.9	L558 Y559 V742 V745 L746 I762 T763 N766 C767	L558-L769 HydrophobicContact CD1-CB 4Å; L558-L769 HydrophobicContact CD1-CD1 4.47Å; L558-L769 HydrophobicContact CD2-CD1 4.35Å; Y559-L769 WeakPolarHBondContact O-CA 3.28Å; V742-L769 HydrophobicContact CG1-CD1 3.83Å; V745-L769 HydrophobicContact CB-CD2 4.23Å; V745-L769 HydrophobicContact CG1-CD2 3.52Å; L746-L769 HydrophobicContact CD2-CD1 4.21Å; L746-L769 HydrophobicContact CD2-CD2 3.69Å; L746-L769 HydrophobicContact CD2-CG 3.84Å; L746-L769 HydrophobicContact CG-CD1 4.39Å; L746-L769 HydrophobicContact CG-CD2 4.09Å; L746-L769 HydrophobicContact CG-CG 4.44Å; I762-L769 HydrophobicContact CG2-CD1 3.51Å; T763-L769 HydrophobicContact CG2-CB 4.37Å; N766-L769 HydrophobicContact CB-CD1 4.14Å; N766-L769 PolarHBondContact O-N 3.43Å; C767-L769 PolarHBondContact O-N 3.3Å
770	T	88.6	Confident	88.7	Confident	30 Å²	30	48.9 Å²	48.9	18%	0.184	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	143.6	177.8	44.8	0	0	0	0	109.8	Y559 R561	Y559-T770 PolarHBondContact N-O 3.46Å; Y559-T770 VanDerWaalsContact N-O 3.07Å; Y559-T770 PolarHBondContact O-N 2.89Å; Y559-T770 VanDerWaalsContact O-O 3.13Å; R561-T770 HydrophobicContact CB-CG2 3.76Å; R561-T770 HydrophobicContact CG-CG2 3.7Å; R561-T770 VanDerWaalsContact NE-CG2 3.34Å
771	Q	90.1	Very high	88.9	Confident	81 Å²	81	47.1 Å²	47.1	38%	0.379	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	132.2	165.5	-175.7	178.6	-31.6	0	0	109.1	S556 I557 I759 G773	S556-Q771 VanDerWaalsContact OG-CD 3.28Å; S556-Q771 WeakPolarHBondContact OG-CG 3.34Å; S556-Q771 PolarHBondContact OG-NE2 2.88Å; I557-Q771 WeakPolarHBondContact O-CA 3.46Å; I759-Q771 HydrophobicContact CG2-CB 3.71Å; I759-Q771 HydrophobicContact CG2-CG 3.98Å; Q771-G773 PolarHBondContact NE2-O 3.48Å
772	V	87.5	Confident	89.1	Confident	8 Å²	8	46.5 Å²	46.5	5%	0.048	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.5	176.3	174.8	0	0	0	0	109.6	I557 V685	I557-V772 HydrophobicContact CB-CB 4.34Å; I557-V772 HydrophobicContact CG2-CB 4.38Å; I557-V772 PolarHBondContact O-N 3.21Å; V685-V772 HydrophobicContact CB-CG1 4.09Å; V685-V772 HydrophobicContact CG1-CG1 3.8Å; V685-V772 WeakPolarHBondContact O-CG1 3.33Å
773	G	84.8	Confident	89.4	Confident	35 Å²	35	45.6 Å²	45.6	36%	0.361	26%	0.261	S	S	.	.	S	Bend	trans	72.1	-178.3	178.8	0	0	0	0	0	114.8	D686 Q771	D686-G773 WeakPolarHBondContact O-CA 3.43Å; D686-G773 PolarHBondContact O-N 2.7Å; Q771-G773 PolarHBondContact NE2-O 3.48Å
774	G	86.9	Confident	89.7	Confident	57 Å²	57	44.3 Å²	44.3	59%	0.588	25%	0.254	S	S	*	.	S	Bend	trans	-84.5	-173.6	177.2	0	0	0	0	0	113.6	I776	G774-I776 PolarHBondContact O-N 3.31Å
775	L	89.9	Confident	90.1	Very high	107 Å²	107	40.9 Å²	40.9	56%	0.56	24%	0.241	S	C	*	.			trans	-73.4	121.9	172.6	-64.1	151.9	0	0	0	109.1	S756 D777	S756-L775 WeakPolarHBondContact OG-CD2 3.42Å; L775-D777 VanDerWaalsContact C-N 3.32Å
776	I	89.7	Confident	90.3	Very high	38 Å²	38	35.1 Å²	35.1	20%	0.195	22%	0.219	C	C	.	.	S	Bend	trans	-71.5	-32.1	179.6	-63	176.8	0	0	0	111	I555 I557 A688 F719 G774	I555-I776 HydrophobicContact CB-CB 4.24Å; I555-I776 HydrophobicContact CG2-CD1 4.09Å; I555-I776 WeakPolarHBondContact O-CB 3.44Å; I555-I776 PolarHBondContact O-N 3.16Å; I557-I776 HydrophobicContact CD1-CD1 4.39Å; I557-I776 HydrophobicContact CG1-CD1 4.43Å; A688-I776 HydrophobicContact CB-CD1 3.96Å; A688-I776 HydrophobicContact CB-CG1 4.4Å; F719-I776 HydrophobicContact CE1-CG2 3.8Å; F719-I776 HydrophobicContact CE2-CG2 3.99Å; F719-I776 HydrophobicContact CZ-CG2 3.37Å; G774-I776 PolarHBondContact O-N 3.31Å
777	D	89.1	Confident	90.2	Very high	26 Å²	26	38 Å²	38	14%	0.139	23%	0.234	C	C	.	.	S	Bend	trans	-139.7	172.1	176.5	67.2	-0.9	0	0	0	111.5	G554 I555 L775 K779	G554-D777 WeakPolarHBondContact CA-O 3.28Å; G554-D777 VanDerWaalsContact CA-OD1 3.24Å; G554-D777 WeakPolarHBondContact CA-OD1 3.4Å; I555-D777 WeakPolarHBondContact CD1-OD2 3.42Å; I555-D777 WeakPolarHBondContact CG1-OD1 3.48Å; I555-D777 PolarHBondContact N-OD1 2.59Å; L775-D777 VanDerWaalsContact C-N 3.32Å; D777-K779 WeakPolarHBondContact OD2-CD 3.32Å; D777-K779 WeakPolarHBondContact OD2-CE 3.49Å; D777-K779 IonicContact OD2-NZ 3.24Å; D777-K779 PolarHBondContact OD2-NZ 3.4Å
778	S	89.4	Confident	89.8	Confident	118 Å²	118	39 Å²	39	83%	0.825	25%	0.251	S	S	*	.			trans	-118.8	112.8	173.8	-178.3	0	0	0	0	108.8
779	K	89.9	Confident	89.5	Confident	40 Å²	40	34 Å²	34	17%	0.174	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	175.5	-177.8	-77.3	176.7	173.4	152	0	109.8	T535 M553 D777	T535-K779 HydrophobicContact CG2-CB 4.27Å; T535-K779 HydrophobicContact CG2-CD 3.8Å; T535-K779 HydrophobicContact CG2-CG 4.45Å; M553-K779 HydrophobicContact CE-CB 4.44Å; M553-K779 PolarHBondContact N-O 3.43Å; M553-K779 CarbonylContact O-C 3.39Å; M553-K779 WeakPolarHBondContact O-CA 3.47Å; M553-K779 PolarHBondContact O-N 2.92Å; M553-K779 HydrophobicContact SD-CB 3.77Å; D777-K779 WeakPolarHBondContact OD2-CD 3.32Å; D777-K779 WeakPolarHBondContact OD2-CE 3.49Å; D777-K779 IonicContact OD2-NZ 3.24Å; D777-K779 PolarHBondContact OD2-NZ 3.4Å
780	G	92.8	Very high	89	Confident	8 Å²	8	37.6 Å²	37.6	8%	0.082	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	156	173.9	0	0	0	0	0	112.3	I536 M551	I536-G780 PolarHBondContact N-O 3.21Å; I536-G780 VanDerWaalsContact N-O 3.12Å; M551-G780 CarbonylContact O-C 3.45Å; M551-G780 WeakPolarHBondContact O-CA 3.2Å
781	Y	94.9	Very high	88.8	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	133.3	167.2	-60.5	-46.5	0	0	0	109.8	Y461 P533 P549 F550 M551 M553 E755 T757	Y461-Y781 HydrophobicContact CE1-CD2 4.41Å; Y461-Y781 HydrophobicContact CE1-CE2 4.15Å; Y461-Y781 AromaticContact CZ-CE2 3.93Å; Y461-Y781 WeakPolarHBondContact OH-CE2 3.31Å; P533-Y781 HydrophobicContact CB-CD1 4.09Å; P533-Y781 HydrophobicContact CB-CD2 4.18Å; P533-Y781 HydrophobicContact CB-CE1 3.84Å; P533-Y781 HydrophobicContact CB-CE2 3.97Å; P533-Y781 HydrophobicContact CB-CG 4.25Å; P533-Y781 WeakPolarHBondContact O-CD1 3.39Å; P533-Y781 WeakPolarHBondContact O-CE1 3.24Å; P549-Y781 CarbonylContact C-O 3.53Å; P549-Y781 WeakPolarHBondContact CA-O 3.45Å; P549-Y781 WeakPolarHBondContact CB-O 3.28Å; F550-Y781 WeakPolarHBondContact CD1-O 3.46Å; F550-Y781 HydrophobicContact CE2-CD2 4.49Å; F550-Y781 HydrophobicContact CZ-CD2 4.49Å; F550-Y781 HydrophobicContact CZ-CG 4.3Å; F550-Y781 PolarHBondContact N-O 3.01Å; M551-Y781 HydrophobicContact CB-CD2 4.23Å; M551-Y781 HydrophobicContact CG-CD2 4.46Å; M551-Y781 PolarHBondContact O-N 3.16Å; M551-Y781 HydrophobicContact SD-CD2 4.22Å; M551-Y781 HydrophobicContact SD-CE2 4.42Å; M553-Y781 HydrophobicContact CE-CD1 3.91Å; M553-Y781 HydrophobicContact CE-CE1 3.21Å; M553-Y781 HydrophobicContact CE-CE2 4.43Å; M553-Y781 HydrophobicContact CG-CD2 4.44Å; M553-Y781 HydrophobicContact CG-CE1 4.35Å; M553-Y781 HydrophobicContact CG-CE2 4.06Å; E755-Y781 VanDerWaalsContact CD-OH 3.24Å; E755-Y781 PolarHBondContact OE2-OH 2.97Å; T757-Y781 HydrophobicContact CG2-CE2 4.46Å; T757-Y781 PolarHBondContact OG1-OH 2.87Å
782	G	94.9	Very high	88.7	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	24%	0.236	C	C	.	.			trans	-129.1	159.6	175	0	0	0	0	0	110.8	L534	L534-G782 PolarHBondContact O-N 2.87Å
783	I	96.6	Very high	88.7	Confident	1 Å²	1	40 Å²	40	1%	0.005	26%	0.255	C	S	.	.			trans	-81.4	126.5	172.7	-60.4	-174.9	0	0	0	107.9	L488 L529 V531 F546 S547 F550 I795 I799	L488-I783 HydrophobicContact CD1-CD1 3.45Å; L488-I783 VanDerWaalsContact CD1-CD1 3.45Å; L529-I783 HydrophobicContact CD2-CG2 4.25Å; V531-I783 HydrophobicContact CG2-CD1 4.32Å; V531-I783 HydrophobicContact CG2-CG2 4.06Å; F546-I783 WeakPolarHBondContact CA-O 3.17Å; S547-I783 PolarHBondContact N-O 3.44Å; S547-I783 PolarHBondContact OG-N 2.85Å; F550-I783 HydrophobicContact CD1-CG1 4.17Å; F550-I783 HydrophobicContact CE1-CG1 4.29Å; I783-I795 HydrophobicContact CB-CG2 4.42Å; I783-I795 HydrophobicContact CD1-CG2 3.99Å; I783-I799 HydrophobicContact CD1-CD1 3.89Å; I783-I799 HydrophobicContact CG1-CD1 4.17Å
784	G	95.5	Very high	88.8	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	134.5	177.1	0	0	0	0	0	111.1	A530	A530-G784 PolarHBondContact N-O 2.88Å; A530-G784 PolarHBondContact O-N 2.91Å
785	T	94.5	Very high	89	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.2	176.1	55	0	0	0	0	109.6	L529 I544 D545 R792 I795	L529-T785 HydrophobicContact CD2-CG2 3.49Å; L529-T785 VanDerWaalsContact CD2-CG2 3.49Å; I544-T785 WeakPolarHBondContact CB-O 3.19Å; D545-T785 WeakPolarHBondContact CB-OG1 3.45Å; D545-T785 PolarHBondContact N-O 2.86Å; D545-T785 PolarHBondContact O-N 2.82Å; D545-T785 VanDerWaalsContact O-O 3.06Å; D545-T785 PolarHBondContact O-OG1 2.83Å; T785-R792 HydrophobicContact CG2-CB 4.34Å; T785-I795 HydrophobicContact CG2-CD1 4.37Å
786	P	90.5	Very high	89.1	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	147.1	171.4	-23.7	34	0	0	0	111	L522 H525 D528 G788 S789	L522-P786 HydrophobicContact CD2-CG 4.34Å; H525-P786 WeakPolarHBondContact CE1-CB 3.48Å; D528-P786 WeakPolarHBondContact O-CD 3.32Å; P786-G788 PolarHBondContact O-N 2.87Å; P786-S789 WeakPolarHBondContact O-CB 3.24Å; P786-S789 PolarHBondContact O-N 2.84Å
787	L	84.6	Confident	89.2	Confident	102 Å²	102	36.6 Å²	36.6	53%	0.534	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	124.2	-176.3	-168.9	77.8	0	0	0	111.1	D545 S789	D545-L787 WeakPolarHBondContact OD1-CD1 3.39Å; L787-S789 VanDerWaalsContact C-N 3.31Å
788	G	78.7	Confident	89.3	Confident	58 Å²	58	35.5 Å²	35.5	60%	0.598	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	75	16.7	-177.7	0	0	0	0	0	114.7	D545 P786	D545-G788 PolarHBondContact OD2-N 2.79Å; P786-G788 PolarHBondContact O-N 2.87Å
789	S	81.4	Confident	89.5	Confident	4 Å²	4	30 Å²	30	3%	0.028	17%	0.169	C	C	.	.			trans	-62.7	135.1	176.6	175	0	0	0	0	111.9	P786 L787 Y791 R792	P786-S789 WeakPolarHBondContact O-CB 3.24Å; P786-S789 PolarHBondContact O-N 2.84Å; L787-S789 VanDerWaalsContact C-N 3.31Å; S789-Y791 PolarHBondContact O-N 2.87Å; S789-Y791 WeakPolarHBondContact OG-CB 2.95Å; S789-Y791 WeakPolarHBondContact OG-CD2 3.43Å; S789-Y791 PolarHBondContact OG-N 3.16Å; S789-Y791 VanDerWaalsContact OG-N 3.17Å; S789-R792 PolarHBondContact O-N 3.14Å
790	P	78.3	Confident	89.6	Confident	75 Å²	75	31.5 Å²	31.5	49%	0.487	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-13.6	174.2	30.5	-35.6	0	0	0	112.8
791	Y	83.9	Confident	89.6	Confident	8 Å²	8	33.3 Å²	33.3	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-77	-27.3	-178.7	-53	-44.6	0	0	0	112.9	E254 L446 L451 S789 D793 K794 I795	E254-Y791 VanDerWaalsContact CD-OH 3.28Å; E254-Y791 WeakPolarHBondContact OE1-CE2 3.38Å; E254-Y791 PolarHBondContact OE1-OH 2.73Å; L446-Y791 HydrophobicContact CD1-CD1 4.27Å; L446-Y791 HydrophobicContact CD2-CD1 3.7Å; L446-Y791 HydrophobicContact CD2-CE1 3.4Å; L446-Y791 VanDerWaalsContact CD2-CE1 3.4Å; L451-Y791 HydrophobicContact CD2-CE2 4.06Å; S789-Y791 PolarHBondContact O-N 2.87Å; S789-Y791 WeakPolarHBondContact OG-CB 2.95Å; S789-Y791 WeakPolarHBondContact OG-CD2 3.43Å; S789-Y791 PolarHBondContact OG-N 3.16Å; S789-Y791 VanDerWaalsContact OG-N 3.17Å; Y791-D793 VanDerWaalsContact C-N 3.34Å; Y791-D793 PolarHBondContact O-N 2.81Å; Y791-K794 PolarHBondContact O-N 3.33Å; Y791-I795 WeakPolarHBondContact O-CB 3.43Å; Y791-I795 VanDerWaalsContact O-CG1 3.29Å; Y791-I795 WeakPolarHBondContact O-CG1 3.42Å; Y791-I795 PolarHBondContact O-N 2.97Å
792	R	88.8	Confident	89.5	Confident	75 Å²	75	33.3 Å²	33.3	28%	0.283	19%	0.19	S	C	.	.	H	α-helix	trans	-53.7	-47.7	-174.9	-176.3	-160	68.6	-155.7	-1.6	112.8	D545 T785 S789 S796	D545-R792 HydrophobicContact CB-CG 4.41Å; D545-R792 IonicContact OD2-NH1 3.7Å; D545-R792 PolarHBondContact OD2-NH1 2.81Å; D545-R792 VanDerWaalsContact OD2-NH1 3.15Å; T785-R792 HydrophobicContact CG2-CB 4.34Å; S789-R792 PolarHBondContact O-N 3.14Å; R792-S796 VanDerWaalsContact O-CB 3.29Å; R792-S796 WeakPolarHBondContact O-CB 3.43Å; R792-S796 PolarHBondContact O-N 3.43Å; R792-S796 PolarHBondContact O-OG 3.15Å
793	D	86.8	Confident	89.3	Confident	86 Å²	86	37.8 Å²	37.8	46%	0.46	21%	0.213	S	C	.	.	H	α-helix	trans	-71.6	-41.8	-175.2	-66	-17.2	0	0	0	110.8	Y791 I795 S796 I797	Y791-D793 VanDerWaalsContact C-N 3.34Å; Y791-D793 PolarHBondContact O-N 2.81Å; D793-I795 PolarHBondContact O-N 3.4Å; D793-S796 PolarHBondContact O-N 3.18Å; D793-I797 VanDerWaalsContact O-CG1 3.28Å; D793-I797 WeakPolarHBondContact O-CG1 3.46Å; D793-I797 PolarHBondContact O-N 2.98Å
794	K	87.3	Confident	89.1	Confident	79 Å²	79	45.6 Å²	45.6	34%	0.343	25%	0.25	S	C	.	.	H	α-helix	trans	-61.1	-45.5	175.3	-63.9	-170.4	178.9	-170.9	0	111.7	D444 L492 Y791 I797 A798	D444-K794 PolarHBondContact O-NZ 3.2Å; L492-K794 HydrophobicContact CD2-CB 4.25Å; Y791-K794 PolarHBondContact O-N 3.33Å; K794-I797 PolarHBondContact O-N 2.95Å; K794-A798 WeakPolarHBondContact O-CB 3.14Å; K794-A798 PolarHBondContact O-N 3.35Å
795	I	91.7	Very high	88.9	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-66.4	-41	177.8	-68.6	169.9	0	0	0	111	L492 L529 I783 T785 Y791 D793 I797 A798 I799	L492-I795 HydrophobicContact CD1-CG1 4.02Å; L529-I795 HydrophobicContact CD1-CD1 3.73Å; L529-I795 HydrophobicContact CD2-CD1 3.26Å; L529-I795 HydrophobicContact CG-CD1 4.15Å; I783-I795 HydrophobicContact CB-CG2 4.42Å; I783-I795 HydrophobicContact CD1-CG2 3.99Å; T785-I795 HydrophobicContact CG2-CD1 4.37Å; Y791-I795 WeakPolarHBondContact O-CB 3.43Å; Y791-I795 VanDerWaalsContact O-CG1 3.29Å; Y791-I795 WeakPolarHBondContact O-CG1 3.42Å; Y791-I795 PolarHBondContact O-N 2.97Å; D793-I795 PolarHBondContact O-N 3.4Å; I795-I797 VanDerWaalsContact C-N 3.33Å; I795-I797 PolarHBondContact O-N 3.29Å; I795-A798 PolarHBondContact O-N 2.95Å; I795-I799 HydrophobicContact CG2-CD1 3.79Å; I795-I799 HydrophobicContact CG2-CG1 4.27Å; I795-I799 VanDerWaalsContact O-CG1 3.31Å; I795-I799 WeakPolarHBondContact O-CG1 3.3Å; I795-I799 PolarHBondContact O-N 2.7Å
796	S	92.6	Very high	88.7	Confident	15 Å²	15	52.7 Å²	52.7	11%	0.105	30%	0.295	C	S	.	.	H	α-helix	trans	-62.1	-42.1	177.8	-64	0	0	0	0	111.8	S547 K548 R792 D793 I799 L800	S547-S796 WeakPolarHBondContact CA-OG 3.44Å; K548-S796 PolarHBondContact N-OG 2.82Å; R792-S796 VanDerWaalsContact O-CB 3.29Å; R792-S796 WeakPolarHBondContact O-CB 3.43Å; R792-S796 PolarHBondContact O-N 3.43Å; R792-S796 PolarHBondContact O-OG 3.15Å; D793-S796 PolarHBondContact O-N 3.18Å; S796-I799 PolarHBondContact O-N 3.05Å; S796-L800 VanDerWaalsContact O-CG 3.31Å; S796-L800 WeakPolarHBondContact O-CG 3.4Å; S796-L800 PolarHBondContact O-N 3.15Å; S796-L800 VanDerWaalsContact O-N 3.11Å
797	I	91	Very high	88.8	Confident	68 Å²	68	55 Å²	55	35%	0.349	31%	0.307	S	S	.	.	H	α-helix	trans	-64.7	-43.5	174.9	-65.7	164.3	0	0	0	110.5	M440 D793 K794 I795 I799 L800 S801	M440-I797 HydrophobicContact CE-CD1 4.36Å; D793-I797 VanDerWaalsContact O-CG1 3.28Å; D793-I797 WeakPolarHBondContact O-CG1 3.46Å; D793-I797 PolarHBondContact O-N 2.98Å; K794-I797 PolarHBondContact O-N 2.95Å; I795-I797 VanDerWaalsContact C-N 3.33Å; I795-I797 PolarHBondContact O-N 3.29Å; I797-I799 PolarHBondContact O-N 3.27Å; I797-L800 PolarHBondContact O-N 3.02Å; I797-S801 PolarHBondContact O-N 3.43Å
798	A	91.5	Very high	89.2	Confident	4 Å²	4	50.8 Å²	50.8	3%	0.033	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-41.2	177.6	0	0	0	0	0	112.6	L488 I491 L492 K794 I795 L800 S801 I802	L488-A798 HydrophobicContact CD2-CB 3.68Å; I491-A798 HydrophobicContact CG2-CB 4.32Å; L492-A798 HydrophobicContact CD1-CB 4.01Å; L492-A798 HydrophobicContact CD2-CB 4.21Å; L492-A798 HydrophobicContact CG-CB 4.08Å; K794-A798 WeakPolarHBondContact O-CB 3.14Å; K794-A798 PolarHBondContact O-N 3.35Å; I795-A798 PolarHBondContact O-N 2.95Å; A798-L800 VanDerWaalsContact C-N 3.33Å; A798-L800 PolarHBondContact O-N 2.83Å; A798-S801 WeakPolarHBondContact O-CB 3.42Å; A798-S801 PolarHBondContact O-N 3.41Å; A798-I802 VanDerWaalsContact O-CG1 3.3Å; A798-I802 WeakPolarHBondContact O-CG1 3.41Å; A798-I802 PolarHBondContact O-N 3.44Å
799	I	94.1	Very high	89.7	Confident	2 Å²	2	54 Å²	54	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-42.2	174.9	-70.5	168.9	0	0	0	111	L488 S547 F550 I783 I795 S796 I797 S801 I802 L803	L488-I799 HydrophobicContact CD2-CG1 4.16Å; S547-I799 VanDerWaalsContact OG-CD1 3.24Å; S547-I799 WeakPolarHBondContact OG-CD1 3.39Å; F550-I799 HydrophobicContact CB-CG2 3.9Å; I783-I799 HydrophobicContact CD1-CD1 3.89Å; I783-I799 HydrophobicContact CG1-CD1 4.17Å; I795-I799 HydrophobicContact CG2-CD1 3.79Å; I795-I799 HydrophobicContact CG2-CG1 4.27Å; I795-I799 VanDerWaalsContact O-CG1 3.31Å; I795-I799 WeakPolarHBondContact O-CG1 3.3Å; I795-I799 PolarHBondContact O-N 2.7Å; S796-I799 PolarHBondContact O-N 3.05Å; I797-I799 PolarHBondContact O-N 3.27Å; I799-S801 VanDerWaalsContact C-N 3.35Å; I799-I802 PolarHBondContact O-N 3.49Å; I799-L803 WeakPolarHBondContact O-CB 3.12Å; I799-L803 PolarHBondContact O-N 3.33Å
800	L	92.2	Very high	90.3	Very high	72 Å²	72	58.1 Å²	58.1	38%	0.377	31%	0.309	S	S	.	.	H	α-helix	trans	-62.9	-41.9	176.9	-70.4	170.6	0	0	0	111.5	S796 I797 A798 L803 E804	S796-L800 VanDerWaalsContact O-CG 3.31Å; S796-L800 WeakPolarHBondContact O-CG 3.4Å; S796-L800 PolarHBondContact O-N 3.15Å; S796-L800 VanDerWaalsContact O-N 3.11Å; I797-L800 PolarHBondContact O-N 3.02Å; A798-L800 VanDerWaalsContact C-N 3.33Å; A798-L800 PolarHBondContact O-N 2.83Å; L800-L803 WeakPolarHBondContact O-CB 3.25Å; L800-L803 PolarHBondContact O-N 2.85Å; L800-E804 WeakPolarHBondContact O-CG 3.35Å; L800-E804 PolarHBondContact O-N 3.37Å
801	S	91.9	Very high	91	Very high	45 Å²	45	55.2 Å²	55.2	32%	0.315	29%	0.289	S	S	.	.	H	α-helix	trans	-58	-49.3	173.4	-171	0	0	0	0	111.7	I797 A798 I799 L803 E804 D805	I797-S801 PolarHBondContact O-N 3.43Å; A798-S801 WeakPolarHBondContact O-CB 3.42Å; A798-S801 PolarHBondContact O-N 3.41Å; I799-S801 VanDerWaalsContact C-N 3.35Å; S801-L803 PolarHBondContact O-N 2.93Å; S801-E804 PolarHBondContact O-N 3.4Å; S801-D805 WeakPolarHBondContact O-CB 3.32Å; S801-D805 PolarHBondContact O-N 2.97Å
802	I	92.3	Very high	91.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.2	-33.5	178.6	-63.8	171.3	0	0	0	111.3	L484 E487 L488 I491 A798 I799 G806 L807 L808	L484-I802 HydrophobicContact CD1-CD1 4.1Å; E487-I802 HydrophobicContact CB-CD1 4.21Å; L488-I802 HydrophobicContact CD2-CD1 3.71Å; L488-I802 HydrophobicContact CG-CD1 4.07Å; I491-I802 HydrophobicContact CD1-CD1 3.91Å; I491-I802 HydrophobicContact CD1-CG1 3.59Å; A798-I802 VanDerWaalsContact O-CG1 3.3Å; A798-I802 WeakPolarHBondContact O-CG1 3.41Å; A798-I802 PolarHBondContact O-N 3.44Å; I799-I802 PolarHBondContact O-N 3.49Å; I802-G806 PolarHBondContact O-N 3.29Å; I802-L807 HydrophobicContact CG2-CB 3.82Å; I802-L807 HydrophobicContact CG2-CD2 4.11Å; I802-L807 HydrophobicContact CG2-CG 4.16Å; I802-L807 PolarHBondContact O-N 3.07Å; I802-L807 VanDerWaalsContact O-N 3.13Å; I802-L808 HydrophobicContact CG2-CB 4.43Å; I802-L808 HydrophobicContact CG2-CD1 4.29Å; I802-L808 HydrophobicContact CG2-CG 3.72Å
803	L	91.4	Very high	91.5	Very high	94 Å²	94	57.4 Å²	57.4	49%	0.492	30%	0.302	S	S	.	.	H	α-helix	trans	-69.9	-46.1	176.5	-168.2	81.1	0	0	0	111.6	I799 L800 S801 D805 G806 L808	I799-L803 WeakPolarHBondContact O-CB 3.12Å; I799-L803 PolarHBondContact O-N 3.33Å; L800-L803 WeakPolarHBondContact O-CB 3.25Å; L800-L803 PolarHBondContact O-N 2.85Å; S801-L803 PolarHBondContact O-N 2.93Å; L803-D805 VanDerWaalsContact C-N 3.35Å; L803-G806 PolarHBondContact O-N 3.31Å; L803-G806 VanDerWaalsContact O-N 3.16Å; L803-L808 HydrophobicContact CB-CD1 4.08Å; L803-L808 HydrophobicContact CD1-CD1 3.62Å; L803-L808 HydrophobicContact CG-CD1 4.49Å
804	E	91.3	Very high	91.7	Very high	165 Å²	165	58.9 Å²	58.9	77%	0.771	30%	0.304	S	S	*	.	H	α-helix	trans	-64.6	-37.8	177.9	-73.8	177	-178.4	0	0	112.1	L800 S801 G806	L800-E804 WeakPolarHBondContact O-CG 3.35Å; L800-E804 PolarHBondContact O-N 3.37Å; S801-E804 PolarHBondContact O-N 3.4Å; E804-G806 PolarHBondContact O-N 3.14Å
805	D	91.7	Very high	91.9	Very high	119 Å²	119	57 Å²	57	64%	0.636	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-8.1	175.7	-67.1	-26	0	0	0	113.1	S801 L803 L807	S801-D805 WeakPolarHBondContact O-CB 3.32Å; S801-D805 PolarHBondContact O-N 2.97Å; L803-D805 VanDerWaalsContact C-N 3.35Å; D805-L807 PolarHBondContact O-N 3.46Å
806	G	90.9	Very high	91.8	Very high	31 Å²	31	57 Å²	57	32%	0.32	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	4.8	-177.5	0	0	0	0	0	114.6	I802 L803 E804 L808 H809 V810	I802-G806 PolarHBondContact O-N 3.29Å; L803-G806 PolarHBondContact O-N 3.31Å; L803-G806 VanDerWaalsContact O-N 3.16Å; E804-G806 PolarHBondContact O-N 3.14Å; G806-L808 VanDerWaalsContact C-N 3.31Å; G806-L808 PolarHBondContact O-N 2.91Å; G806-H809 WeakPolarHBondContact O-CB 3.46Å; G806-H809 PolarHBondContact O-N 3.38Å; G806-H809 VanDerWaalsContact O-N 3.09Å; G806-V810 PolarHBondContact O-N 2.89Å
807	L	92.4	Very high	91.1	Very high	49 Å²	49	59.8 Å²	59.8	26%	0.257	32%	0.315	S	S	.	.	H	α-helix	trans	-64.2	-34.2	-176.3	-176.1	62.8	0	0	0	112.3	E487 I802 D805 H809 V810 L811	E487-L807 HydrophobicContact CB-CD2 4.22Å; E487-L807 HydrophobicContact CG-CD2 3.73Å; I802-L807 HydrophobicContact CG2-CB 3.82Å; I802-L807 HydrophobicContact CG2-CD2 4.11Å; I802-L807 HydrophobicContact CG2-CG 4.16Å; I802-L807 PolarHBondContact O-N 3.07Å; I802-L807 VanDerWaalsContact O-N 3.13Å; D805-L807 PolarHBondContact O-N 3.46Å; L807-H809 VanDerWaalsContact C-N 3.28Å; L807-H809 PolarHBondContact O-N 3.39Å; L807-V810 PolarHBondContact O-N 3.47Å; L807-L811 HydrophobicContact CG-CD1 4.49Å; L807-L811 WeakPolarHBondContact O-CG 3.39Å; L807-L811 PolarHBondContact O-N 2.83Å
808	L	92.3	Very high	89.5	Confident	13 Å²	13	58.2 Å²	58.2	7%	0.068	32%	0.315	C	S	.	.	H	α-helix	trans	-59.7	-37.7	173.8	-90.6	166.4	0	0	0	112.5	F480 L484 F550 I802 L803 G806 K812	F480-L808 HydrophobicContact CZ-CD2 3.72Å; L484-L808 HydrophobicContact CD1-CD2 3.98Å; F550-L808 HydrophobicContact CB-CD1 4.22Å; F550-L808 HydrophobicContact CB-CD2 4.3Å; F550-L808 HydrophobicContact CD2-CD2 4.44Å; F550-L808 WeakPolarHBondContact O-CD1 3.47Å; I802-L808 HydrophobicContact CG2-CB 4.43Å; I802-L808 HydrophobicContact CG2-CD1 4.29Å; I802-L808 HydrophobicContact CG2-CG 3.72Å; L803-L808 HydrophobicContact CB-CD1 4.08Å; L803-L808 HydrophobicContact CD1-CD1 3.62Å; L803-L808 HydrophobicContact CG-CD1 4.49Å; G806-L808 VanDerWaalsContact C-N 3.31Å; G806-L808 PolarHBondContact O-N 2.91Å; L808-K812 WeakPolarHBondContact O-CB 3.21Å; L808-K812 PolarHBondContact O-N 3.07Å
809	H	90.8	Very high	88.1	Confident	126 Å²	126	64 Å²	64	58%	0.583	36%	0.356	S	S	*	.	H	α-helix	trans	-68.5	-42.9	176.8	-175	-81.6	0	0	0	111	G806 L807 L811 K812 E813	G806-H809 WeakPolarHBondContact O-CB 3.46Å; G806-H809 PolarHBondContact O-N 3.38Å; G806-H809 VanDerWaalsContact O-N 3.09Å; L807-H809 VanDerWaalsContact C-N 3.28Å; L807-H809 PolarHBondContact O-N 3.39Å; H809-L811 VanDerWaalsContact C-N 3.35Å; H809-L811 PolarHBondContact O-N 2.77Å; H809-K812 PolarHBondContact O-N 3.27Å; H809-E813 PolarHBondContact O-N 2.86Å
810	V	93.4	Very high	86.2	Confident	91 Å²	91	66.4 Å²	66.4	55%	0.552	38%	0.381	S	S	*	.	H	α-helix	trans	-60.4	-44.5	175.8	177.6	0	0	0	0	111.1	G806 L807 E813 K814	G806-V810 PolarHBondContact O-N 2.89Å; L807-V810 PolarHBondContact O-N 3.47Å; V810-E813 PolarHBondContact O-N 2.98Å; V810-K814 WeakPolarHBondContact O-CB 3.44Å; V810-K814 PolarHBondContact O-N 3.17Å
811	L	93.4	Very high	84.8	Confident	13 Å²	13	64.6 Å²	64.6	7%	0.068	37%	0.374	C	S	.	.	H	α-helix	trans	-64.3	-40.7	175.6	-70.8	177.5	0	0	0	111.8	F480 D483 L807 H809 K814 W815	F480-L811 HydrophobicContact CD2-CB 3.96Å; F480-L811 HydrophobicContact CE2-CB 3.64Å; D483-L811 HydrophobicContact CB-CD2 3.79Å; L807-L811 HydrophobicContact CG-CD1 4.49Å; L807-L811 WeakPolarHBondContact O-CG 3.39Å; L807-L811 PolarHBondContact O-N 2.83Å; H809-L811 VanDerWaalsContact C-N 3.35Å; H809-L811 PolarHBondContact O-N 2.77Å; L811-K814 PolarHBondContact O-N 3.35Å; L811-W815 VanDerWaalsContact O-CD1 3.23Å; L811-W815 PolarHBondContact O-N 3.03Å; L811-W815 VanDerWaalsContact O-N 3.13Å
812	K	91.6	Very high	83.1	Confident	61 Å²	61	70.8 Å²	70.8	27%	0.265	40%	0.402	S	S	.	.	H	α-helix	trans	-60.9	-51.2	176.3	-174.7	-172.3	175	-168.2	0	110.1	F480 M551 D760 L808 H809 K814 W815 W816	F480-K812 HydrophobicContact CE2-CB 4.36Å; M551-K812 HydrophobicContact CE-CB 4.5Å; M551-K812 HydrophobicContact CE-CD 4.44Å; M551-K812 HydrophobicContact CE-CG 4.24Å; D760-K812 IonicContact OD2-NZ 3.14Å; L808-K812 WeakPolarHBondContact O-CB 3.21Å; L808-K812 PolarHBondContact O-N 3.07Å; H809-K812 PolarHBondContact O-N 3.27Å; K812-K814 VanDerWaalsContact C-N 3.31Å; K812-K814 PolarHBondContact O-N 2.91Å; K812-W815 PolarHBondContact O-N 3Å; K812-W816 HydrophobicContact CG-CD2 4.16Å; K812-W816 HydrophobicContact CG-CE3 3.9Å; K812-W816 HydrophobicContact CG-CZ3 4.41Å; K812-W816 WeakPolarHBondContact O-CB 3.17Å; K812-W816 PolarHBondContact O-N 3Å
813	E	90	Very high	81	Confident	69 Å²	69	77.7 Å²	77.7	32%	0.322	44%	0.439	S	S	.	.	H	α-helix	trans	-60	-41.6	177.6	-77.4	-56.1	142.9	0	0	111.5	R764 H809 V810 W815 S817	R764-E813 IonicContact NH1-OE2 3.66Å; R764-E813 IonicContact NH2-OE1 3.12Å; H809-E813 PolarHBondContact O-N 2.86Å; V810-E813 PolarHBondContact O-N 2.98Å; E813-W815 VanDerWaalsContact C-N 3.33Å; E813-W815 PolarHBondContact O-N 3.21Å; E813-S817 WeakPolarHBondContact O-CA 3.47Å; E813-S817 WeakPolarHBondContact O-CB 3.25Å; E813-S817 PolarHBondContact O-N 2.79Å; E813-S817 PolarHBondContact O-OG 2.87Å
814	K	92	Very high	79	Confident	116 Å²	116	80.1 Å²	80.1	50%	0.504	45%	0.448	S	S	.	.	H	α-helix	trans	-55.8	-43.7	175.9	-179.5	-173.3	174.6	-169.1	0	113.5	D483 V810 L811 K812 S817	D483-K814 IonicContact OD2-NZ 3.45Å; D483-K814 PolarHBondContact OD2-NZ 3.22Å; V810-K814 WeakPolarHBondContact O-CB 3.44Å; V810-K814 PolarHBondContact O-N 3.17Å; L811-K814 PolarHBondContact O-N 3.35Å; K812-K814 VanDerWaalsContact C-N 3.31Å; K812-K814 PolarHBondContact O-N 2.91Å; K814-S817 PolarHBondContact O-OG 3.23Å
815	W	91.8	Very high	76.5	Confident	39 Å²	39	81 Å²	81	15%	0.148	45%	0.452	C	S	.	.	H	α-helix	trans	-92	-22.2	-173.1	-72.4	104.1	0	0	0	114.1	P460 M463 E478 G479 F480 D483 L811 K812 E813	P460-W815 HydrophobicContact CB-CB 4.39Å; M463-W815 HydrophobicContact CE-CE3 3.95Å; M463-W815 HydrophobicContact CE-CH2 4.49Å; M463-W815 HydrophobicContact CE-CZ3 3.49Å; M463-W815 VanDerWaalsContact CE-CZ3 3.49Å; E478-W815 HydrophobicContact CB-CH2 4.08Å; E478-W815 HydrophobicContact CG-CH2 4.29Å; G479-W815 VanDerWaalsContact C-CZ2 3.42Å; G479-W815 VanDerWaalsContact CA-CZ2 3.41Å; G479-W815 VanDerWaalsContact N-CZ2 3.33Å; G479-W815 WeakPolarHBondContact O-CZ2 3.42Å; F480-W815 VanDerWaalsContact CA-CD1 3.49Å; F480-W815 HydrophobicContact CB-CB 4.18Å; F480-W815 HydrophobicContact CB-CG 3.92Å; F480-W815 AromaticContact CD2-CD1 3.99Å; D483-W815 VanDerWaalsContact OD2-CZ2 3.3Å; D483-W815 WeakPolarHBondContact OD2-CZ2 3.42Å; D483-W815 PolarHBondContact OD2-NE1 3.46Å; L811-W815 VanDerWaalsContact O-CD1 3.23Å; L811-W815 PolarHBondContact O-N 3.03Å; L811-W815 VanDerWaalsContact O-N 3.13Å; K812-W815 PolarHBondContact O-N 3Å; E813-W815 VanDerWaalsContact C-N 3.33Å; E813-W815 PolarHBondContact O-N 3.21Å
816	W	89.6	Confident	74.3	Confident	4 Å²	4	86 Å²	86	2%	0.015	46%	0.462	C	S	.	.	H	α-helix	trans	-97.5	-12.7	173.7	-81.9	-108.4	0	0	0	113.1	P460 Y461 F480 M551 T757 R764 K812 G818	P460-W816 HydrophobicContact CG-CD2 4.21Å; P460-W816 HydrophobicContact CG-CE3 4.16Å; P460-W816 HydrophobicContact CG-CH2 3.79Å; P460-W816 HydrophobicContact CG-CZ2 3.82Å; P460-W816 HydrophobicContact CG-CZ3 3.97Å; Y461-W816 HydrophobicContact CD1-CH2 4.22Å; Y461-W816 AromaticContact CE1-CH2 3.59Å; Y461-W816 HydrophobicContact CE1-CH2 3.59Å; Y461-W816 HydrophobicContact CE1-CZ2 4.08Å; Y461-W816 AromaticContact CZ-CH2 3.84Å; Y461-W816 AromaticContact CZ-CZ2 3.84Å; F480-W816 HydrophobicContact CB-CH2 4.44Å; F480-W816 HydrophobicContact CB-CZ3 3.94Å; F480-W816 AromaticContact CD2-CZ3 3.71Å; F480-W816 HydrophobicContact CD2-CZ3 3.71Å; F480-W816 HydrophobicContact CE2-CZ3 4.37Å; F480-W816 HydrophobicContact CG-CH2 4.33Å; F480-W816 AromaticContact CG-CZ3 3.81Å; F480-W816 HydrophobicContact CG-CZ3 3.81Å; M551-W816 HydrophobicContact CE-CH2 4Å; M551-W816 HydrophobicContact CE-CZ3 4.2Å; M551-W816 HydrophobicContact SD-CH2 4.36Å; T757-W816 PolarHBondContact O-NE1 2.91Å; R764-W816 WeakPolarHBondContact CD-O 3.24Å; R764-W816 PolarHBondContact NH1-O 2.93Å; K812-W816 HydrophobicContact CG-CD2 4.16Å; K812-W816 HydrophobicContact CG-CE3 3.9Å; K812-W816 HydrophobicContact CG-CZ3 4.41Å; K812-W816 WeakPolarHBondContact O-CB 3.17Å; K812-W816 PolarHBondContact O-N 3Å; W816-G818 PolarHBondContact O-N 3.4Å
817	S	76.6	Confident	72.3	Confident	75 Å²	75	91 Å²	91	52%	0.524	47%	0.471	S	S	.	.			trans	-77.5	109.6	170.6	62.9	0	0	0	0	109.5	E813 K814	E813-S817 WeakPolarHBondContact O-CA 3.47Å; E813-S817 WeakPolarHBondContact O-CB 3.25Å; E813-S817 PolarHBondContact O-N 2.79Å; E813-S817 PolarHBondContact O-OG 2.87Å; K814-S817 PolarHBondContact O-OG 3.23Å
818	G	59.3	Low	69.9	Low	34 Å²	34	97.1 Å²	97.1	35%	0.351	50%	0.498	S	S	.	.			trans	-163.5	112.3	178	0	0	0	0	0	107.7	W816	W816-G818 PolarHBondContact O-N 3.4Å
819	S	60.8	Low	67.8	Low	127 Å²	127	101.7 Å²	101.7	89%	0.888	53%	0.527	S	S	*	.			trans	-68.5	141.7	-173.6	47.1	0	0	0	0	112.7
820	G	55	Low	66.1	Low	52 Å²	52	98.3 Å²	98.3	54%	0.536	53%	0.526	S	S	.	.	S	Bend	trans	-171.5	-38.6	165.6	0	0	0	0	0	109.7	C767	C767-G820 VanDerWaalsContact SG-C 3.6Å; C767-G820 PolarHBondContact SG-O 3.28Å
821	C	61.7	Low	64.4	Low	34 Å²	34	100.3 Å²	100.3	23%	0.23	54%	0.541	C	S	.	.	S	Bend	trans	-96.8	116.1	167.2	-49	0	0	0	0	108	T763 R764 C767 D823	T763-C821 PolarHBondContact O-SG 3.27Å; T763-C821 VanDerWaalsContact O-SG 3.37Å; R764-C821 PolarHBondContact O-N 2.82Å; C767-C821 WeakPolarHBondContact CA-SG 3.38Å; C767-C821 HydrophobicContact CB-CB 4.13Å; C767-C821 WeakPolarHBondContact CB-SG 3.41Å; C767-C821 PolarHBondContact N-SG 2.92Å; C767-C821 WeakPolarHBondContact SG-CA 3.28Å; C767-C821 WeakPolarHBondContact SG-CB 3.33Å; C767-C821 PolarHBondContact SG-N 3.34Å; C767-C821 VanDerWaalsContact SG-N 3.41Å; C767-C821 CovalentContact SG-SG 2.03Å; C767-C821 PolarHBondContact SG-SG 3.02Å; C821-D823 PolarHBondContact O-N 3.37Å
822	L	56	Low	62.9	Low	174 Å²	174	106.1 Å²	106.1	91%	0.911	57%	0.569	S	S	*	*			trans	-52.7	116.4	157.2	-69.7	163	0	0	0	104.8	E824	L822-E824 PolarHBondContact O-N 2.78Å
823	D	49.3	Very low	61.6	Low	146 Å²	146	105 Å²	105	78%	0.781	58%	0.576	S	S	*	*			trans	-45.6	142.1	161.3	-86.1	-38.6	0	0	0	106.4	C821 E825	C821-D823 PolarHBondContact O-N 3.37Å; D823-E825 PolarHBondContact O-N 3.44Å
824	E	49.8	Very low	60.7	Low	145 Å²	145	108 Å²	108	68%	0.678	59%	0.593	S	S	*	*			trans	-62.2	66.3	174.8	-65.5	-168.2	141.5	0	0	110.1	L822 R826 R827	L822-E824 PolarHBondContact O-N 2.78Å; E824-R826 PolarHBondContact O-N 3.37Å; E824-R827 IonicContact OE1-NH2 2.9Å
825	E	38.3	Very low	59.5	Low	182 Å²	182	108.3 Å²	108.3	85%	0.85	60%	0.596	S	S	*	*			trans	-59.4	93.5	151.7	-79.3	-163.6	160	0	0	104.4	D823	D823-E825 PolarHBondContact O-N 3.44Å
826	R	44.3	Very low	58.4	Low	224 Å²	224	107.9 Å²	107.9	85%	0.845	60%	0.597	S	S	*	*			trans	35.8	103	160.9	-69.2	172.2	175.6	176.8	-1.4	111.5	E824 E828	E824-R826 PolarHBondContact O-N 3.37Å; R826-E828 PolarHBondContact O-N 3.43Å
827	R	49.3	Very low	57.7	Low	138 Å²	138	110.8 Å²	110.8	52%	0.521	61%	0.612	S	S	.	*			trans	-48	91.3	153.5	-69	-176.6	-170.3	172.5	10.8	107.5	E679 E824 T829	E679-R827 PolarHBondContact O-NH1 2.96Å; E824-R827 IonicContact OE1-NH2 2.9Å; R827-T829 PolarHBondContact O-N 3.13Å; R827-T829 VanDerWaalsContact O-N 3.16Å
828	E	43.2	Very low	57.8	Low	177 Å²	177	107.7 Å²	107.7	83%	0.827	59%	0.592	S	S	*	*			trans	-60.4	120.2	161.9	-75.4	-167.2	157.5	0	0	103	R826 G830	R826-E828 PolarHBondContact O-N 3.43Å; E828-G830 VanDerWaalsContact C-N 3.3Å; E828-G830 PolarHBondContact O-N 2.92Å
829	T	47.7	Very low	59	Low	109 Å²	109	106.1 Å²	106.1	67%	0.669	58%	0.575	S	S	*	*			trans	-53.7	99.9	177	45.2	0	0	0	0	107.4	R827	R827-T829 PolarHBondContact O-N 3.13Å; R827-T829 VanDerWaalsContact O-N 3.16Å
830	G	55.4	Low	60.2	Low	55 Å²	55	104 Å²	104	57%	0.567	55%	0.553	S	S	*	*			trans	-59.7	157.7	175.6	0	0	0	0	0	110.2	E828 M832	E828-G830 VanDerWaalsContact C-N 3.3Å; E828-G830 PolarHBondContact O-N 2.92Å; G830-M832 PolarHBondContact O-N 3.34Å
831	P	57.6	Low	61.7	Low	133 Å²	133	107.6 Å²	107.6	86%	0.864	56%	0.555	S	S	*	*			trans	-55.8	140.6	176.7	24.3	-33	0	0	0	110.5	G833	P831-G833 PolarHBondContact O-N 3.2Å
832	M	61.9	Low	62.9	Low	134 Å²	134	110.3 Å²	110.3	66%	0.66	57%	0.566	S	S	*	*			trans	-53.8	114.6	-178.3	-68.3	-178.7	-76.7	0	0	110.9	L676 G830 L837	L676-M832 HydrophobicContact CD1-SD 4.27Å; G830-M832 PolarHBondContact O-N 3.34Å; M832-L837 HydrophobicContact CB-CD1 4.16Å
833	G	64.2	Low	64.5	Low	39 Å²	39	105.7 Å²	105.7	40%	0.402	55%	0.545	S	S	.	.			trans	-73.8	154.5	179.9	0	0	0	0	0	113	P831 Q835 N836	P831-G833 PolarHBondContact O-N 3.2Å; G833-Q835 PolarHBondContact O-N 2.94Å; G833-Q835 VanDerWaalsContact O-N 3.08Å; G833-N836 PolarHBondContact O-N 3.22Å; G833-N836 VanDerWaalsContact O-N 3.17Å
834	I	70.6	Confident	66.5	Low	132 Å²	132	104 Å²	104	68%	0.677	54%	0.535	S	S	*	.	H	α-helix	trans	-61.6	-17.9	177.8	-159.3	155.6	0	0	0	113.3	N836 G838	I834-N836 VanDerWaalsContact C-N 3.34Å; I834-G838 WeakPolarHBondContact O-CA 3.45Å; I834-G838 PolarHBondContact O-N 3.28Å
835	Q	66.6	Low	68.4	Low	121 Å²	121	99.5 Å²	99.5	57%	0.565	52%	0.523	S	S	*	.	H	α-helix	trans	-65.8	-36.1	177.1	-64.5	178.5	-5.2	0	0	112.1	G833	G833-Q835 PolarHBondContact O-N 2.94Å; G833-Q835 VanDerWaalsContact O-N 3.08Å
836	N	69.4	Low	70.9	Confident	31 Å²	31	94.2 Å²	94.2	17%	0.166	51%	0.506	C	S	.	.	H	α-helix	trans	-81.6	-27.9	179.9	-67.2	-13.6	0	0	0	112.7	S567 L676 G833 I834	S567-N836 WeakPolarHBondContact CB-OD1 3.29Å; S567-N836 PolarHBondContact OG-OD1 3.26Å; L676-N836 HydrophobicContact CD2-CB 4.27Å; G833-N836 PolarHBondContact O-N 3.22Å; G833-N836 VanDerWaalsContact O-N 3.17Å; I834-N836 VanDerWaalsContact C-N 3.34Å
837	L	74.7	Confident	73.3	Confident	64 Å²	64	85.4 Å²	85.4	34%	0.335	49%	0.485	S	S	.	.	H	α-helix	trans	-103.3	-8.2	-177.4	-71.8	162.4	0	0	0	113.8	M832 G839 I840	M832-L837 HydrophobicContact CB-CD1 4.16Å; L837-G839 VanDerWaalsContact C-N 3.3Å; L837-G839 PolarHBondContact O-N 2.9Å; L837-I840 HydrophobicContact CD2-CD1 3.66Å; L837-I840 WeakPolarHBondContact O-CB 3.48Å; L837-I840 PolarHBondContact O-N 3.27Å; L837-I840 VanDerWaalsContact O-N 3.09Å
838	G	78.8	Confident	75.4	Confident	11 Å²	11	83.8 Å²	83.8	11%	0.113	49%	0.486	C	S	.	.	H	α-helix	trans	-59.6	-36.8	-173.2	0	0	0	0	0	113.7	I834 I840 F841 I842	I834-G838 WeakPolarHBondContact O-CA 3.45Å; I834-G838 PolarHBondContact O-N 3.28Å; G838-I840 VanDerWaalsContact C-N 3.26Å; G838-I840 PolarHBondContact O-N 3.26Å; G838-F841 PolarHBondContact O-N 3.43Å; G838-I842 WeakPolarHBondContact O-CG1 3.41Å; G838-I842 PolarHBondContact O-N 2.81Å
839	G	83.6	Confident	77.8	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	47%	0.471	C	S	.	.	H	α-helix	trans	-60.8	-32	176.9	0	0	0	0	0	114	F569 L837 I842 V843	F569-G839 WeakPolarHBondContact O-CA 3.26Å; F569-G839 PolarHBondContact O-N 2.94Å; L837-G839 VanDerWaalsContact C-N 3.3Å; L837-G839 PolarHBondContact O-N 2.9Å; G839-I842 PolarHBondContact O-N 2.79Å; G839-V843 WeakPolarHBondContact O-CG2 3.49Å; G839-V843 PolarHBondContact O-N 3.13Å
840	I	86.9	Confident	80	Confident	82 Å²	82	79.6 Å²	79.6	42%	0.421	47%	0.467	S	S	.	.	H	α-helix	trans	-66.5	-41.2	179.8	-57.7	176.4	0	0	0	110.3	F572 L837 G838 I842 V843 L844	F572-I840 HydrophobicContact CD1-CG1 4.2Å; F572-I840 HydrophobicContact CG-CG1 4.4Å; L837-I840 HydrophobicContact CD2-CD1 3.66Å; L837-I840 WeakPolarHBondContact O-CB 3.48Å; L837-I840 PolarHBondContact O-N 3.27Å; L837-I840 VanDerWaalsContact O-N 3.09Å; G838-I840 VanDerWaalsContact C-N 3.26Å; G838-I840 PolarHBondContact O-N 3.26Å; I840-I842 VanDerWaalsContact C-N 3.33Å; I840-I842 PolarHBondContact O-N 3.17Å; I840-V843 PolarHBondContact O-N 2.79Å; I840-L844 PolarHBondContact O-N 3.47Å
841	F	86.6	Confident	81.8	Confident	129 Å²	129	80 Å²	80	57%	0.566	46%	0.462	S	S	*	.	H	α-helix	trans	-66.2	-35.5	176.5	-68	-70.5	0	0	0	112.5	G838 L844 A845	G838-F841 PolarHBondContact O-N 3.43Å; F841-L844 PolarHBondContact O-N 3.43Å; F841-A845 WeakPolarHBondContact O-CB 3.37Å; F841-A845 PolarHBondContact O-N 2.91Å
842	I	87.7	Confident	83.5	Confident	91 Å²	91	77.8 Å²	77.8	47%	0.467	45%	0.445	S	S	.	.	H	α-helix	trans	-64.5	-46.1	175.3	-63.3	170	0	0	0	110.3	F569 G838 G839 I840 L844 A845 S846	F569-I842 HydrophobicContact CD1-CD1 4.33Å; G838-I842 WeakPolarHBondContact O-CG1 3.41Å; G838-I842 PolarHBondContact O-N 2.81Å; G839-I842 PolarHBondContact O-N 2.79Å; I840-I842 VanDerWaalsContact C-N 3.33Å; I840-I842 PolarHBondContact O-N 3.17Å; I842-L844 VanDerWaalsContact C-N 3.35Å; I842-L844 PolarHBondContact O-N 3.23Å; I842-A845 PolarHBondContact O-N 3.39Å; I842-S846 WeakPolarHBondContact O-CB 3.37Å; I842-S846 PolarHBondContact O-N 2.85Å; I842-S846 PolarHBondContact O-OG 3.08Å
843	V	89.5	Confident	85	Confident	77 Å²	77	77.8 Å²	77.8	47%	0.467	44%	0.442	S	S	.	.	H	α-helix	trans	-60.7	-45.3	177.3	173.5	0	0	0	0	110.6	G839 I840 A845 S846 G847	G839-V843 WeakPolarHBondContact O-CG2 3.49Å; G839-V843 PolarHBondContact O-N 3.13Å; I840-V843 PolarHBondContact O-N 2.79Å; V843-A845 PolarHBondContact O-N 3.43Å; V843-S846 PolarHBondContact O-N 2.9Å; V843-S846 PolarHBondContact O-OG 3.31Å; V843-G847 PolarHBondContact O-N 3.31Å
844	L	89.9	Confident	86.3	Confident	109 Å²	109	79.1 Å²	79.1	57%	0.571	44%	0.442	S	S	*	.	H	α-helix	trans	-58.9	-49.2	177	179.2	63.9	0	0	0	112.4	I840 F841 I842 S846 G847 L848	I840-L844 PolarHBondContact O-N 3.47Å; F841-L844 PolarHBondContact O-N 3.43Å; I842-L844 VanDerWaalsContact C-N 3.35Å; I842-L844 PolarHBondContact O-N 3.23Å; L844-S846 VanDerWaalsContact C-N 3.32Å; L844-S846 PolarHBondContact O-N 2.97Å; L844-G847 PolarHBondContact O-N 2.97Å; L844-L848 HydrophobicContact CG-CD1 4.41Å; L844-L848 WeakPolarHBondContact O-CG 3.38Å; L844-L848 PolarHBondContact O-N 3.08Å
845	A	91	Very high	87.4	Confident	52 Å²	52	75.3 Å²	75.3	43%	0.43	43%	0.43	S	S	.	.	H	α-helix	trans	-61.2	-42.2	178.9	0	0	0	0	0	111.6	F841 I842 V843 G847 L848 V849	F841-A845 WeakPolarHBondContact O-CB 3.37Å; F841-A845 PolarHBondContact O-N 2.91Å; I842-A845 PolarHBondContact O-N 3.39Å; V843-A845 PolarHBondContact O-N 3.43Å; A845-G847 PolarHBondContact O-N 2.97Å; A845-L848 PolarHBondContact O-N 3.21Å; A845-V849 WeakPolarHBondContact O-CG2 3.43Å; A845-V849 PolarHBondContact O-N 3.25Å; A845-V849 VanDerWaalsContact O-N 3.11Å
846	S	91	Very high	88.6	Confident	70 Å²	70	73.6 Å²	73.6	49%	0.49	42%	0.424	S	S	.	.	H	α-helix	trans	-63.6	-39.1	176.9	73.6	0	0	0	0	112.6	I842 V843 L844 V849 L850	I842-S846 WeakPolarHBondContact O-CB 3.37Å; I842-S846 PolarHBondContact O-N 2.85Å; I842-S846 PolarHBondContact O-OG 3.08Å; V843-S846 PolarHBondContact O-N 2.9Å; V843-S846 PolarHBondContact O-OG 3.31Å; L844-S846 VanDerWaalsContact C-N 3.32Å; L844-S846 PolarHBondContact O-N 2.97Å; S846-V849 PolarHBondContact O-N 2.75Å; S846-L850 WeakPolarHBondContact O-CB 3.22Å; S846-L850 PolarHBondContact O-N 3.27Å
847	G	92.8	Very high	89.5	Confident	39 Å²	39	74.8 Å²	74.8	40%	0.402	44%	0.438	S	S	.	.	H	α-helix	trans	-66.2	-40.3	177.4	0	0	0	0	0	113.2	V843 L844 A845 L850 S851	V843-G847 PolarHBondContact O-N 3.31Å; L844-G847 PolarHBondContact O-N 2.97Å; A845-G847 PolarHBondContact O-N 2.97Å; G847-L850 PolarHBondContact O-N 2.99Å; G847-S851 PolarHBondContact O-N 3.2Å
848	L	94.1	Very high	90.3	Very high	105 Å²	105	77.9 Å²	77.9	55%	0.55	45%	0.451	S	S	.	.	H	α-helix	trans	-65.6	-41.8	176.1	-72.2	171.3	0	0	0	112.3	L844 A845 S851 V852	L844-L848 HydrophobicContact CG-CD1 4.41Å; L844-L848 WeakPolarHBondContact O-CG 3.38Å; L844-L848 PolarHBondContact O-N 3.08Å; A845-L848 PolarHBondContact O-N 3.21Å; L848-S851 PolarHBondContact O-N 3.33Å; L848-S851 PolarHBondContact O-OG 3.49Å; L848-V852 WeakPolarHBondContact O-CG2 3.33Å; L848-V852 PolarHBondContact O-N 3.07Å
849	V	93.9	Very high	90.8	Very high	83 Å²	83	83.8 Å²	83.8	50%	0.503	47%	0.474	S	S	.	.	H	α-helix	trans	-65.2	-44.5	176.9	171	0	0	0	0	110.2	A845 S846 S851 V852 F853	A845-V849 WeakPolarHBondContact O-CG2 3.43Å; A845-V849 PolarHBondContact O-N 3.25Å; A845-V849 VanDerWaalsContact O-N 3.11Å; S846-V849 PolarHBondContact O-N 2.75Å; V849-S851 PolarHBondContact O-N 3.34Å; V849-V852 PolarHBondContact O-N 3.16Å; V849-F853 HydrophobicContact CG1-CD2 3.76Å; V849-F853 HydrophobicContact CG1-CE2 3.51Å; V849-F853 WeakPolarHBondContact O-CD2 3.36Å; V849-F853 PolarHBondContact O-N 3.47Å; V849-F853 VanDerWaalsContact O-N 3.13Å
850	L	93.8	Very high	91.1	Very high	115 Å²	115	88.5 Å²	88.5	60%	0.602	50%	0.498	S	S	*	.	H	α-helix	trans	-61.6	-41.6	178.1	-175.4	64.7	0	0	0	112.1	S846 G847 V852 F853 V854	S846-L850 WeakPolarHBondContact O-CB 3.22Å; S846-L850 PolarHBondContact O-N 3.27Å; G847-L850 PolarHBondContact O-N 2.99Å; L850-V852 VanDerWaalsContact C-N 3.35Å; L850-V852 PolarHBondContact O-N 3.06Å; L850-F853 PolarHBondContact O-N 2.96Å; L850-V854 WeakPolarHBondContact O-CG2 3.29Å; L850-V854 PolarHBondContact O-N 2.92Å
851	S	93.4	Very high	91.2	Very high	64 Å²	64	92 Å²	92	45%	0.448	51%	0.507	S	S	.	.	H	α-helix	trans	-64.6	-38.7	179.4	70.2	0	0	0	0	112.4	G847 L848 V849 V854 A855	G847-S851 PolarHBondContact O-N 3.2Å; L848-S851 PolarHBondContact O-N 3.33Å; L848-S851 PolarHBondContact O-OG 3.49Å; V849-S851 PolarHBondContact O-N 3.34Å; S851-V854 PolarHBondContact O-N 2.99Å; S851-A855 WeakPolarHBondContact O-CB 3.49Å; S851-A855 PolarHBondContact O-N 3.2Å
852	V	93.8	Very high	91.2	Very high	85 Å²	85	93.1 Å²	93.1	52%	0.515	51%	0.511	S	S	.	.	H	α-helix	trans	-61.9	-44.2	173.6	172.9	0	0	0	0	110.8	L848 V849 L850 A855 I856	L848-V852 WeakPolarHBondContact O-CG2 3.33Å; L848-V852 PolarHBondContact O-N 3.07Å; V849-V852 PolarHBondContact O-N 3.16Å; L850-V852 VanDerWaalsContact C-N 3.35Å; L850-V852 PolarHBondContact O-N 3.06Å; V852-A855 PolarHBondContact O-N 3.13Å; V852-I856 HydrophobicContact CG1-CD1 3.86Å; V852-I856 VanDerWaalsContact O-CG1 3.25Å; V852-I856 WeakPolarHBondContact O-CG1 3.48Å; V852-I856 PolarHBondContact O-N 3.22Å
853	F	92.3	Very high	90.9	Very high	134 Å²	134	92.7 Å²	92.7	59%	0.588	51%	0.51	S	S	*	.	H	α-helix	trans	-62.6	-42.9	176.1	-81.7	-66	0	0	0	112.7	V849 L850 I856 A857	V849-F853 HydrophobicContact CG1-CD2 3.76Å; V849-F853 HydrophobicContact CG1-CE2 3.51Å; V849-F853 WeakPolarHBondContact O-CD2 3.36Å; V849-F853 PolarHBondContact O-N 3.47Å; V849-F853 VanDerWaalsContact O-N 3.13Å; L850-F853 PolarHBondContact O-N 2.96Å; F853-I856 PolarHBondContact O-N 2.99Å; F853-A857 WeakPolarHBondContact O-CB 3.42Å; F853-A857 PolarHBondContact O-N 3.38Å
854	V	92.9	Very high	90.5	Very high	67 Å²	67	97.5 Å²	97.5	41%	0.406	52%	0.52	S	S	.	.	H	α-helix	trans	-63.7	-44.3	176.9	173.6	0	0	0	0	110.7	L850 S851 I856 A857 E858	L850-V854 WeakPolarHBondContact O-CG2 3.29Å; L850-V854 PolarHBondContact O-N 2.92Å; S851-V854 PolarHBondContact O-N 2.99Å; V854-I856 VanDerWaalsContact C-N 3.34Å; V854-I856 PolarHBondContact O-N 3.43Å; V854-A857 WeakPolarHBondContact O-CB 3.16Å; V854-A857 PolarHBondContact O-N 3.32Å; V854-A857 VanDerWaalsContact O-N 3.13Å; V854-E858 HydrophobicContact CG1-CG 4.33Å; V854-E858 WeakPolarHBondContact O-CG 3.32Å; V854-E858 PolarHBondContact O-N 2.89Å
855	A	92.8	Very high	90	Very high	52 Å²	52	97.6 Å²	97.6	43%	0.43	52%	0.515	S	S	.	.	H	α-helix	trans	-61.9	-40.4	177.4	0	0	0	0	0	112.4	S851 V852 E858 F859	S851-A855 WeakPolarHBondContact O-CB 3.49Å; S851-A855 PolarHBondContact O-N 3.2Å; V852-A855 PolarHBondContact O-N 3.13Å; A855-E858 PolarHBondContact O-N 3.16Å; A855-F859 VanDerWaalsContact O-CB 3.28Å; A855-F859 WeakPolarHBondContact O-CB 3.35Å; A855-F859 PolarHBondContact O-N 2.84Å
856	I	91.3	Very high	89.2	Confident	86 Å²	86	97.9 Å²	97.9	44%	0.441	51%	0.512	S	S	.	.	H	α-helix	trans	-63	-44.4	173.7	-68.4	165.6	0	0	0	110.2	V852 F853 V854 F859 I860	V852-I856 HydrophobicContact CG1-CD1 3.86Å; V852-I856 VanDerWaalsContact O-CG1 3.25Å; V852-I856 WeakPolarHBondContact O-CG1 3.48Å; V852-I856 PolarHBondContact O-N 3.22Å; F853-I856 PolarHBondContact O-N 2.99Å; V854-I856 VanDerWaalsContact C-N 3.34Å; V854-I856 PolarHBondContact O-N 3.43Å; I856-F859 PolarHBondContact O-N 3.48Å; I856-I860 HydrophobicContact CG2-CD1 3.75Å; I856-I860 HydrophobicContact CG2-CG1 4.44Å; I856-I860 VanDerWaalsContact O-CG1 3.25Å; I856-I860 WeakPolarHBondContact O-CG1 3.45Å; I856-I860 PolarHBondContact O-N 3.38Å
857	A	88.6	Confident	88.2	Confident	56 Å²	56	98 Å²	98	46%	0.463	51%	0.51	S	S	.	.	H	α-helix	trans	-63.8	-42.9	178.3	0	0	0	0	0	112.3	F853 V854 I860 Y861	F853-A857 WeakPolarHBondContact O-CB 3.42Å; F853-A857 PolarHBondContact O-N 3.38Å; V854-A857 WeakPolarHBondContact O-CB 3.16Å; V854-A857 PolarHBondContact O-N 3.32Å; V854-A857 VanDerWaalsContact O-N 3.13Å; A857-I860 PolarHBondContact O-N 3.39Å; A857-Y861 VanDerWaalsContact O-CB 3.28Å; A857-Y861 WeakPolarHBondContact O-CB 3.47Å; A857-Y861 PolarHBondContact O-N 3.28Å
858	E	92	Very high	87.1	Confident	128 Å²	128	101.3 Å²	101.3	60%	0.598	52%	0.515	S	S	*	.	H	α-helix	trans	-62.3	-42.7	174.7	-75.3	-178.2	177.6	0	0	111.7	V854 A855 Y861 K862	V854-E858 HydrophobicContact CG1-CG 4.33Å; V854-E858 WeakPolarHBondContact O-CG 3.32Å; V854-E858 PolarHBondContact O-N 2.89Å; A855-E858 PolarHBondContact O-N 3.16Å; E858-Y861 PolarHBondContact O-N 2.73Å; E858-K862 VanDerWaalsContact O-CB 3.25Å; E858-K862 WeakPolarHBondContact O-CB 3.15Å; E858-K862 PolarHBondContact O-N 3.32Å
859	F	90.1	Very high	85.6	Confident	136 Å²	136	104.5 Å²	104.5	60%	0.596	52%	0.52	S	S	*	.	H	α-helix	trans	-62.4	-46.5	177	-176.2	-106.9	0	0	0	111.3	A855 I856 K862 L863	A855-F859 VanDerWaalsContact O-CB 3.28Å; A855-F859 WeakPolarHBondContact O-CB 3.35Å; A855-F859 PolarHBondContact O-N 2.84Å; I856-F859 PolarHBondContact O-N 3.48Å; F859-K862 PolarHBondContact O-N 2.92Å; F859-L863 HydrophobicContact CD1-CD1 3.68Å; F859-L863 HydrophobicContact CD1-CG 4.46Å; F859-L863 HydrophobicContact CE1-CD1 3.3Å; F859-L863 HydrophobicContact CE1-CG 4.22Å; F859-L863 HydrophobicContact CE2-CD1 4.39Å; F859-L863 HydrophobicContact CE2-CG 4.49Å; F859-L863 HydrophobicContact CG-CD1 4.38Å; F859-L863 HydrophobicContact CZ-CD1 3.7Å; F859-L863 HydrophobicContact CZ-CD2 4.46Å; F859-L863 HydrophobicContact CZ-CG 4.22Å; F859-L863 WeakPolarHBondContact O-CB 3.28Å; F859-L863 VanDerWaalsContact O-CG 3.29Å; F859-L863 WeakPolarHBondContact O-CG 3.32Å; F859-L863 PolarHBondContact O-N 3.41Å
860	I	88.3	Confident	84.1	Confident	99 Å²	99	106.2 Å²	106.2	51%	0.508	52%	0.522	S	S	.	.	H	α-helix	trans	-62.2	-45.1	175.7	-68.2	167.6	0	0	0	110.9	I856 A857 L863 R864	I856-I860 HydrophobicContact CG2-CD1 3.75Å; I856-I860 HydrophobicContact CG2-CG1 4.44Å; I856-I860 VanDerWaalsContact O-CG1 3.25Å; I856-I860 WeakPolarHBondContact O-CG1 3.45Å; I856-I860 PolarHBondContact O-N 3.38Å; A857-I860 PolarHBondContact O-N 3.39Å; I860-L863 PolarHBondContact O-N 2.92Å; I860-R864 WeakPolarHBondContact O-CB 3.34Å; I860-R864 PolarHBondContact O-N 3.41Å
861	Y	88.6	Confident	82.5	Confident	156 Å²	156	107.2 Å²	107.2	61%	0.612	52%	0.523	S	S	*	.	H	α-helix	trans	-63.6	-44.2	179.7	-179.3	-103.8	0	0	0	111.8	A857 E858 R864 K865	A857-Y861 VanDerWaalsContact O-CB 3.28Å; A857-Y861 WeakPolarHBondContact O-CB 3.47Å; A857-Y861 PolarHBondContact O-N 3.28Å; E858-Y861 PolarHBondContact O-N 2.73Å; Y861-R864 PolarHBondContact O-N 2.72Å; Y861-K865 WeakPolarHBondContact O-CB 3.3Å; Y861-K865 PolarHBondContact O-N 2.85Å
862	K	87.8	Confident	80.7	Confident	151 Å²	151	109.8 Å²	109.8	66%	0.657	53%	0.532	S	S	*	.	H	α-helix	trans	-62.8	-48.6	177.3	-170.8	174.3	-177.9	179.2	0	110.6	E858 F859 R864 K865 T866	E858-K862 VanDerWaalsContact O-CB 3.25Å; E858-K862 WeakPolarHBondContact O-CB 3.15Å; E858-K862 PolarHBondContact O-N 3.32Å; F859-K862 PolarHBondContact O-N 2.92Å; K862-R864 VanDerWaalsContact C-N 3.33Å; K862-R864 PolarHBondContact O-N 2.87Å; K862-K865 PolarHBondContact O-N 2.94Å; K862-K865 VanDerWaalsContact O-N 3.16Å; K862-T866 PolarHBondContact O-N 3.11Å; K862-T866 PolarHBondContact O-OG1 2.94Å
863	L	81.5	Confident	78.8	Confident	83 Å²	83	112 Å²	112	44%	0.435	54%	0.536	S	S	.	.	H	α-helix	trans	-52.9	-50.7	176.5	-79.7	173.4	0	0	0	111.3	F859 I860 K865 T866 T867	F859-L863 HydrophobicContact CD1-CD1 3.68Å; F859-L863 HydrophobicContact CD1-CG 4.46Å; F859-L863 HydrophobicContact CE1-CD1 3.3Å; F859-L863 HydrophobicContact CE1-CG 4.22Å; F859-L863 HydrophobicContact CE2-CD1 4.39Å; F859-L863 HydrophobicContact CE2-CG 4.49Å; F859-L863 HydrophobicContact CG-CD1 4.38Å; F859-L863 HydrophobicContact CZ-CD1 3.7Å; F859-L863 HydrophobicContact CZ-CD2 4.46Å; F859-L863 HydrophobicContact CZ-CG 4.22Å; F859-L863 WeakPolarHBondContact O-CB 3.28Å; F859-L863 VanDerWaalsContact O-CG 3.29Å; F859-L863 WeakPolarHBondContact O-CG 3.32Å; F859-L863 PolarHBondContact O-N 3.41Å; I860-L863 PolarHBondContact O-N 2.92Å; L863-K865 VanDerWaalsContact C-N 3.33Å; L863-K865 PolarHBondContact O-N 3.48Å; L863-T866 WeakPolarHBondContact CA-OG1 3.38Å; L863-T866 PolarHBondContact O-N 2.7Å; L863-T866 PolarHBondContact O-OG1 3.05Å; L863-T867 PolarHBondContact O-N 3.05Å; L863-T867 PolarHBondContact O-OG1 3.38Å
864	R	80.9	Confident	77	Confident	178 Å²	178	111 Å²	111	67%	0.672	54%	0.537	S	S	*	.	H	α-helix	trans	-59.6	-41.7	179.6	-155.1	175.8	-170.1	172.9	2.8	112.4	I860 Y861 K862 T867 E868	I860-R864 WeakPolarHBondContact O-CB 3.34Å; I860-R864 PolarHBondContact O-N 3.41Å; Y861-R864 PolarHBondContact O-N 2.72Å; K862-R864 VanDerWaalsContact C-N 3.33Å; K862-R864 PolarHBondContact O-N 2.87Å; R864-T867 PolarHBondContact O-N 3.41Å; R864-E868 WeakPolarHBondContact O-CG 3.44Å; R864-E868 PolarHBondContact O-N 2.95Å
865	K	78.6	Confident	75.2	Confident	110 Å²	110	110.1 Å²	110.1	48%	0.478	54%	0.541	S	S	.	.	H	α-helix	trans	-70.9	-35.6	178.1	-169.7	173.2	-178.2	174.9	0	113.1	Y861 K862 L863 R869	Y861-K865 WeakPolarHBondContact O-CB 3.3Å; Y861-K865 PolarHBondContact O-N 2.85Å; K862-K865 PolarHBondContact O-N 2.94Å; K862-K865 VanDerWaalsContact O-N 3.16Å; L863-K865 VanDerWaalsContact C-N 3.33Å; L863-K865 PolarHBondContact O-N 3.48Å; K865-R869 PolarHBondContact O-N 2.96Å
866	T	75.1	Confident	73.2	Confident	59 Å²	59	115.5 Å²	115.5	36%	0.362	56%	0.555	S	S	.	*	H	α-helix	trans	-66.8	-41.2	171.1	21	0	0	0	0	111.5	K862 L863 E868 R869 E870	K862-T866 PolarHBondContact O-N 3.11Å; K862-T866 PolarHBondContact O-OG1 2.94Å; L863-T866 WeakPolarHBondContact CA-OG1 3.38Å; L863-T866 PolarHBondContact O-N 2.7Å; L863-T866 PolarHBondContact O-OG1 3.05Å; T866-E868 VanDerWaalsContact C-N 3.32Å; T866-E868 PolarHBondContact O-N 3.39Å; T866-R869 PolarHBondContact O-N 3.15Å; T866-E870 WeakPolarHBondContact O-CB 3.38Å; T866-E870 WeakPolarHBondContact O-CG 3.2Å; T866-E870 PolarHBondContact O-N 3.46Å
867	T	69.9	Low	71.2	Confident	71 Å²	71	115.5 Å²	115.5	44%	0.436	56%	0.562	S	S	.	*	H	α-helix	trans	-62.4	-39.7	174.8	-49.1	0	0	0	0	111.6	L863 R864 Q871	L863-T867 PolarHBondContact O-N 3.05Å; L863-T867 PolarHBondContact O-OG1 3.38Å; R864-T867 PolarHBondContact O-N 3.41Å; T867-Q871 WeakPolarHBondContact O-CB 3.49Å; T867-Q871 VanDerWaalsContact O-CG 3.31Å; T867-Q871 WeakPolarHBondContact O-CG 3.25Å; T867-Q871 PolarHBondContact O-N 3.17Å
868	E	70.1	Confident	69.4	Low	110 Å²	110	119.7 Å²	119.7	51%	0.514	57%	0.572	S	S	.	*	H	α-helix	trans	-65.7	-38	173.4	-75.2	174.8	178.1	0	0	112.7	R864 T866 L872	R864-E868 WeakPolarHBondContact O-CG 3.44Å; R864-E868 PolarHBondContact O-N 2.95Å; T866-E868 VanDerWaalsContact C-N 3.32Å; T866-E868 PolarHBondContact O-N 3.39Å; E868-L872 PolarHBondContact O-N 3.05Å; E868-L872 VanDerWaalsContact O-N 3.12Å
869	R	62.6	Low	67.6	Low	172 Å²	172	115.9 Å²	115.9	65%	0.649	57%	0.566	S	S	*	*	H	α-helix	trans	-69	-43.4	174.4	-97.8	-173.8	173.6	-178	-4	113	K865 T866 Q871 L872 E873	K865-R869 PolarHBondContact O-N 2.96Å; T866-R869 PolarHBondContact O-N 3.15Å; R869-Q871 VanDerWaalsContact C-N 3.29Å; R869-Q871 PolarHBondContact O-N 3.11Å; R869-L872 PolarHBondContact O-N 3.4Å; R869-L872 VanDerWaalsContact O-N 3.14Å; R869-E873 PolarHBondContact O-N 3.26Å
870	E	62.4	Low	65.7	Low	119 Å²	119	113.2 Å²	113.2	56%	0.556	57%	0.569	S	S	*	*	H	α-helix	trans	-64.2	-35.6	176.7	-75.2	177.3	174.2	0	0	111	T866 E873 L874	T866-E870 WeakPolarHBondContact O-CB 3.38Å; T866-E870 WeakPolarHBondContact O-CG 3.2Å; T866-E870 PolarHBondContact O-N 3.46Å; E870-E873 PolarHBondContact O-N 2.77Å; E870-L874 WeakPolarHBondContact O-CB 3.32Å; E870-L874 WeakPolarHBondContact O-CD1 3.15Å; E870-L874 PolarHBondContact O-N 3.48Å
871	Q	59.2	Low	63.8	Low	135 Å²	135	115.7 Å²	115.7	63%	0.631	58%	0.583	S	S	*	*	H	α-helix	trans	-66.9	-35	171.6	-76.4	-176.2	-11.6	0	0	113.3	T867 R869 G875	T867-Q871 WeakPolarHBondContact O-CB 3.49Å; T867-Q871 VanDerWaalsContact O-CG 3.31Å; T867-Q871 WeakPolarHBondContact O-CG 3.25Å; T867-Q871 PolarHBondContact O-N 3.17Å; R869-Q871 VanDerWaalsContact C-N 3.29Å; R869-Q871 PolarHBondContact O-N 3.11Å; Q871-G875 PolarHBondContact O-N 3.21Å; Q871-G875 VanDerWaalsContact O-N 3.11Å
872	L	56.5	Low	62	Low	118 Å²	118	115 Å²	115	62%	0.618	59%	0.59	S	S	*	*	H	α-helix	trans	-71.8	-36.8	174.3	-97.4	149	0	0	0	112.9	E868 R869 G875 F876	E868-L872 PolarHBondContact O-N 3.05Å; E868-L872 VanDerWaalsContact O-N 3.12Å; R869-L872 PolarHBondContact O-N 3.4Å; R869-L872 VanDerWaalsContact O-N 3.14Å; L872-G875 PolarHBondContact O-N 2.89Å; L872-F876 PolarHBondContact O-N 2.84Å; L872-F876 VanDerWaalsContact O-N 3.13Å
873	E	54	Low	59.8	Low	132 Å²	132	119.4 Å²	119.4	62%	0.617	61%	0.612	S	S	*	*	H	α-helix	trans	-73.4	-36.8	175.2	-74.5	-173.2	176.7	0	0	112.5	R869 E870 G875 F876 C877	R869-E873 PolarHBondContact O-N 3.26Å; E870-E873 PolarHBondContact O-N 2.77Å; E873-G875 VanDerWaalsContact C-N 3.29Å; E873-G875 PolarHBondContact O-N 2.82Å; E873-F876 PolarHBondContact O-N 3.17Å; E873-C877 PolarHBondContact O-N 3.32Å
874	L	52.9	Low	58.7	Low	114 Å²	114	121.3 Å²	121.3	60%	0.597	62%	0.621	S	S	*	*	H	α-helix	trans	-62.4	-36	169.3	-93.7	144.8	0	0	0	111.9	E870 Q878	E870-L874 WeakPolarHBondContact O-CB 3.32Å; E870-L874 WeakPolarHBondContact O-CD1 3.15Å; E870-L874 PolarHBondContact O-N 3.48Å; L874-Q878 PolarHBondContact O-N 3.44Å
875	G	55.3	Low	57.6	Low	48 Å²	48	118.3 Å²	118.3	50%	0.495	62%	0.619	S	S	.	*	H	α-helix	trans	-65.2	-35.2	172	0	0	0	0	0	114.1	Q871 L872 E873 G879	Q871-G875 PolarHBondContact O-N 3.21Å; Q871-G875 VanDerWaalsContact O-N 3.11Å; L872-G875 PolarHBondContact O-N 2.89Å; E873-G875 VanDerWaalsContact C-N 3.29Å; E873-G875 PolarHBondContact O-N 2.82Å; G875-G879 PolarHBondContact O-N 3.48Å
876	F	51	Low	56.4	Low	165 Å²	165	118.7 Å²	118.7	72%	0.724	63%	0.627	S	S	*	*	H	α-helix	trans	-76.2	-38.5	177	-106.2	-87.5	0	0	0	113.2	L872 E873 Q878 G879 A880	L872-F876 PolarHBondContact O-N 2.84Å; L872-F876 VanDerWaalsContact O-N 3.13Å; E873-F876 PolarHBondContact O-N 3.17Å; F876-Q878 VanDerWaalsContact C-N 3.28Å; F876-Q878 PolarHBondContact O-N 2.72Å; F876-G879 PolarHBondContact O-N 3.49Å; F876-G879 VanDerWaalsContact O-N 3.16Å; F876-A880 PolarHBondContact O-N 3.06Å
877	C	49.8	Very low	55.3	Low	86 Å²	86	122.2 Å²	122.2	58%	0.581	64%	0.642	S	S	*	*	H	α-helix	trans	-66.1	-29.2	175.2	-76.9	0	0	0	0	112.8	E873 G879	E873-C877 PolarHBondContact O-N 3.32Å; C877-G879 VanDerWaalsContact C-N 3.33Å
878	Q	51.2	Low	54.4	Low	144 Å²	144	125.4 Å²	125.4	67%	0.673	66%	0.655	S	S	*	*	H	α-helix	trans	-77.4	-18.7	175.3	-142	145.8	-10	0	0	113	L874 F876	L874-Q878 PolarHBondContact O-N 3.44Å; F876-Q878 VanDerWaalsContact C-N 3.28Å; F876-Q878 PolarHBondContact O-N 2.72Å
879	G	53.3	Low	53.3	Low	47 Å²	47	126.5 Å²	126.5	49%	0.485	66%	0.664	S	S	.	*	H	α-helix	trans	-82.8	-29	171.4	0	0	0	0	0	114.5	G875 F876 C877	G875-G879 PolarHBondContact O-N 3.48Å; F876-G879 PolarHBondContact O-N 3.49Å; F876-G879 VanDerWaalsContact O-N 3.16Å; C877-G879 VanDerWaalsContact C-N 3.33Å
880	A	50.3	Low	52.7	Low	80 Å²	80	123.2 Å²	123.2	66%	0.661	67%	0.665	S	S	*	*	H	α-helix	trans	-82.6	-11.8	-179.8	0	0	0	0	0	114.5	F876	F876-A880 PolarHBondContact O-N 3.06Å
881	L	48	Very low	51.9	Low	152 Å²	152	123.5 Å²	123.5	80%	0.796	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-3	174.1	-97.8	149.1	0	0	0	113.7
882	N	50.9	Low	51.3	Low	142 Å²	142	122.6 Å²	122.6	76%	0.759	68%	0.677	S	S	*	*			trans	-112.8	23.9	-179.9	-88.9	-14.9	0	0	0	113.4
883	H	42.6	Very low	50.8	Low	243 Å²	243	123 Å²	123	100%	1.125	68%	0.683	S	S	*	*			trans	-130.9	0	170.1	-110.3	-55.6	0	0	0	113.1

Retrieved 883 of 883 residues in 272.9 ms (Link to these results)

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