A0A087YDR9_POEFO Loading...

Glutamate metabotropic receptor 8

AlphaFold DB , UniProt , Accession A0A087YDR9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 920 aa.

						>A0A087YDR9_POEFO|A0A087YDR9
MESQWGPTFPLHSPSIIFLLLATSYTWLFPVTSPQRVPIDPQAAPEYAHSIRLDGDIILGGLFPVHSRGDRGTPCGELKKEKGIHRLEAMMFAIDLINKDPELLPNITLGARILDTCSRDTYALEQSLTFVQALIERDGSDVRCANGDPPIFTKPDKIVGVIGAASSSVSIMVANILRLFKIPQISYASTAPELSDNSRYDFFSRVVPPDSYQAQAMMDIVTAMEWNYVSTLASEGNYGESGVEAFVQISRETGGVCIAQSLKIPREPRVGEFDKIIRRLMETSNARAIIMFANEDDIRRVLDAAKRSNQTGHFLWVGSDSWGSKSSPVTGQEMVAEGAITILPKRVSVDAFDRYFRSRSLSNNRRNVWFAEFWEENFDCRLGMHGKRTSAQKKCTGLEKVGRDSNYEQEGKVQFVMDAVYAMAHALHRMHRELCYGYPGLCPRMANIDGKELLSHIRAVKFNGSAGTPVMFNENGDAPGRYDIFQYQSINNSKPEYRLIGSWTNKLHLKMDAMHWKTGDQSLPASVCSLPCRTGQRKKVVKGVPCCWHCESCEGYHYQASEFTCELCPYEMRPDTNRTGCVPIPIIKLEWHSPWAVVPVFISMLGIIATSFVIVTFVRYNDTPIVRASGREMSYVLLTGIFLCYAITFLMIATPDVGVCSLRRIFLGLGMCFSYAALLTKTNRIHRIFEQGKKSVTAPRFISPASQLVITFSLISVQLLGVFLWFAVDPPHIVVDYGEQRTQDPMSARGVLKCDISDLSLICSLGYSILLMVTCTVYAIKTRGVPETFNEAKPIGFTMYTTCIIWLAFIPIFFGTSQSAERMYIQTTTLTISLSLSASVSLGMLYMPKAYIILFHPEQNVPKRKRSFKAIVTAATMSGKLTQKGGDRPNGEVKTELCESMETNTSSTKTTYVSYSNHAI
					

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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	31.9	Very low	31.9	Very low	242 Å²	242	149.3 Å²	149.3	100%	1.192	79%	0.792	S	S	*	*				0	128.2	0	-128.6	161.8	174.1	0	0	106.7
2	E	27.2	Very low	31.3	Very low	182 Å²	182	152 Å²	152	85%	0.85	80%	0.796	S	S	*	*			trans	-62.3	166.3	171.8	-71.9	126.3	123.6	0	0	112.2
3	S	30.9	Very low	31	Very low	96 Å²	96	147.7 Å²	147.7	67%	0.671	79%	0.787	S	S	*	*			cis	-167.4	-166.7	-15.7	55.8	0	0	0	0	106.2
4	Q	32.2	Very low	31.3	Very low	140 Å²	140	145.6 Å²	145.6	65%	0.654	79%	0.786	S	S	*	*			cis	-159.9	178.1	-5.7	-131.9	157.2	-5	0	0	104.6
5	W	26.9	Very low	31.1	Very low	226 Å²	226	143.3 Å²	143.3	86%	0.856	79%	0.785	S	S	*	*			cis	-129.2	-131	6.9	-110.6	107.7	0	0	0	109
6	G	26.7	Very low	31	Very low	59 Å²	59	144.3 Å²	144.3	61%	0.608	79%	0.787	S	S	*	*			trans	-171.9	-137.3	173.6	0	0	0	0	0	113.7
7	P	53.3	Low	30.8	Very low	121 Å²	121	143.6 Å²	143.6	79%	0.786	78%	0.781	S	S	*	*				-138.3	-174.1	-110.3	40.8	-24.2	0	0	0	114.8
8	T	25.2	Very low	30.6	Very low	139 Å²	139	145.4 Å²	145.4	85%	0.853	78%	0.78	S	S	*	*			trans	-164.4	159.4	142.7	6.3	0	0	0	0	114.9
9	F	25.2	Very low	30.4	Very low	198 Å²	198	144.3 Å²	144.3	87%	0.868	77%	0.773	S	S	*	*			trans	-165.2	-179.6	-176.5	-100.2	-68.1	0	0	0	105.3
10	P	45.4	Very low	30.2	Very low	98 Å²	98	144.1 Å²	144.1	64%	0.636	77%	0.771	S	S	*	*			cis	-138	-168	-25.4	31.5	-8.8	0	0	0	114.1
11	L	25.3	Very low	30.1	Very low	141 Å²	141	144.4 Å²	144.4	74%	0.738	77%	0.772	S	S	*	*			trans	91.9	154.7	135.9	-114.9	135.5	0	0	0	123.3
12	H	25.7	Very low	29.9	Very low	182 Å²	182	136.8 Å²	136.8	84%	0.843	75%	0.748	S	S	*	*			trans	91.6	149.1	166.5	-76.8	-70.5	0	0	0	122.1
13	S	26.5	Very low	30	Very low	96 Å²	96	135 Å²	135	67%	0.671	75%	0.749	S	S	*	*			trans	-125.2	166	-179.7	-176.1	0	0	0	0	108.1
14	P	36.4	Very low	29.9	Very low	119 Å²	119	134.8 Å²	134.8	77%	0.773	75%	0.748	S	S	*	*				-154.5	-173.6	103.5	40.5	-22.2	0	0	0	115.9
15	S	27.1	Very low	29.9	Very low	110 Å²	110	138.3 Å²	138.3	77%	0.769	76%	0.757	S	S	*	*			trans	-113	148.1	169.2	-43.5	0	0	0	0	111.7
16	I	29.3	Very low	30	Very low	159 Å²	159	132.5 Å²	132.5	82%	0.815	75%	0.746	S	S	*	*			trans	-179	152.1	170.7	-107.6	148.4	0	0	0	109.9
17	I	28.5	Very low	30.2	Very low	134 Å²	134	140 Å²	140	69%	0.687	76%	0.757	S	S	*	*			cis	-163.4	140.4	-32.2	-126.4	-178.4	0	0	0	110.3
18	F	26.8	Very low	29	Very low	175 Å²	175	139.8 Å²	139.8	77%	0.768	75%	0.748	S	S	*	*			trans	56.6	149.7	163.9	-80	-130.5	0	0	0	119.9
19	L	26.8	Very low	29.2	Very low	124 Å²	124	141.9 Å²	141.9	65%	0.649	75%	0.746	S	S	*	*			cis	107.3	112.8	17.3	-155.6	-179.7	0	0	0	112.7
20	L	26.5	Very low	29.5	Very low	140 Å²	140	137.7 Å²	137.7	73%	0.733	74%	0.738	S	S	*	*			trans	157.5	144.2	140.6	-85	172	0	0	0	115.2
21	L	27.5	Very low	28.8	Very low	151 Å²	151	140 Å²	140	79%	0.791	75%	0.75	S	S	*	*			trans	48	127.6	151.2	-57.1	165.4	0	0	0	120.1
22	A	29.1	Very low	29.1	Very low	83 Å²	83	139.2 Å²	139.2	69%	0.686	75%	0.752	S	S	*	*			cis	91.2	96	33	0	0	0	0	0	116
23	T	29.1	Very low	29.2	Very low	143 Å²	143	135.6 Å²	135.6	88%	0.877	75%	0.747	S	S	*	*			trans	-177.4	168.9	153.4	31.5	0	0	0	0	107.8
24	S	29.2	Very low	29.4	Very low	93 Å²	93	137 Å²	137	65%	0.65	75%	0.754	S	S	*	*				-173.9	132.2	-59	51.6	0	0	0	0	109.4
25	Y	30.8	Very low	29	Very low	213 Å²	213	140.3 Å²	140.3	84%	0.835	76%	0.759	S	S	*	*			trans	65.7	115.7	165.1	-79	-83.4	0	0	0	121.7
26	T	30.4	Very low	29	Very low	104 Å²	104	146.4 Å²	146.4	64%	0.638	77%	0.765	S	S	*	*			trans	56.9	139.2	138	52.9	0	0	0	0	120.4
27	W	29.3	Very low	29	Very low	218 Å²	218	144.4 Å²	144.4	83%	0.826	76%	0.76	S	S	*	*				-169.9	160.5	64.7	-98.4	99.9	0	0	0	114
28	L	29.1	Very low	29	Very low	115 Å²	115	143.9 Å²	143.9	60%	0.602	77%	0.765	S	S	*	*			trans	75.5	123.7	148.8	-71.5	-179.5	0	0	0	124.5
29	F	29.8	Very low	29.3	Very low	183 Å²	183	143 Å²	143	80%	0.803	77%	0.767	S	S	*	*			trans	77.5	121.5	149.3	-66.5	-54.5	0	0	0	122
30	P	32	Very low	29.3	Very low	110 Å²	110	142.5 Å²	142.5	71%	0.714	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-97	159.7	174.5	39	-34	0	0	0	113.1
31	V	30.1	Very low	29.8	Very low	147 Å²	147	141.1 Å²	141.1	89%	0.891	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-94.8	117.7	159.7	177.3	0	0	0	0	108.5
32	T	30.8	Very low	29.6	Very low	125 Å²	125	141.8 Å²	141.8	77%	0.767	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-82.9	138.3	174.7	42.4	0	0	0	0	111.2
33	S	27.7	Very low	29.5	Very low	106 Å²	106	142.2 Å²	142.2	74%	0.741	77%	0.767	S	S	*	*			trans	-136.7	116.6	167.1	-174.8	0	0	0	0	109	Q35	S33-Q35 PolarHBondContact O-N 3.43Å
34	P	30.9	Very low	29.4	Very low	125 Å²	125	139.2 Å²	139.2	81%	0.812	76%	0.757	S	S	*	*			trans	-86.2	92	-170.9	32.8	-34.1	0	0	0	111.6	R36	P34-R36 PolarHBondContact O-N 3.11Å
35	Q	29.1	Very low	29.5	Very low	188 Å²	188	138.2 Å²	138.2	88%	0.879	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-71	123.4	161.2	-79	-166	-27.7	0	0	109.8	S33	S33-Q35 PolarHBondContact O-N 3.43Å
36	R	27.4	Very low	29.6	Very low	238 Å²	238	136.6 Å²	136.6	90%	0.898	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-68	130.5	179.1	-68.5	175.1	175.4	159.1	-2.3	110.2	P34 P38	P34-R36 PolarHBondContact O-N 3.11Å; R36-P38 WeakPolarHBondContact O-CD 3.35Å
37	V	28.7	Very low	30.1	Very low	118 Å²	118	137.3 Å²	137.3	72%	0.715	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-66.3	123.3	161	176.1	0	0	0	0	108.4	I39	V37-I39 HydrophobicContact CG1-CG1 4.36Å; V37-I39 PolarHBondContact O-N 3.49Å
38	P	27.5	Very low	31	Very low	123 Å²	123	129.8 Å²	129.8	80%	0.799	72%	0.724	S	S	*	*			trans	-73.1	115.8	165.9	-10.8	28.2	0	0	0	108.7	R36	R36-P38 WeakPolarHBondContact O-CD 3.35Å
39	I	34.8	Very low	32.9	Very low	155 Å²	155	129.1 Å²	129.1	80%	0.795	72%	0.717	S	S	*	*			trans	-91.7	99.7	173.5	-59.4	169.9	0	0	0	108	V37	V37-I39 HydrophobicContact CG1-CG1 4.36Å; V37-I39 PolarHBondContact O-N 3.49Å
40	D	25.8	Very low	35.6	Very low	115 Å²	115	122.4 Å²	122.4	62%	0.615	69%	0.694	S	S	*	*			trans	-146.3	92.7	157.1	-174	17.7	0	0	0	109.9	Q42	D40-Q42 VanDerWaalsContact C-N 3.32Å; D40-Q42 PolarHBondContact O-N 2.61Å; D40-Q42 VanDerWaalsContact O-N 3.08Å; D40-Q42 PolarHBondContact OD2-NE2 2.7Å
41	P	36.3	Very low	38.4	Very low	110 Å²	110	117.3 Å²	117.3	71%	0.714	66%	0.66	S	S	*	*			trans	-81.7	79.1	175	34.2	-33	0	0	0	110.1	A43	P41-A43 PolarHBondContact O-N 3.37Å
42	Q	24.8	Very low	41.3	Very low	166 Å²	166	116.5 Å²	116.5	78%	0.776	64%	0.641	S	S	*	*			trans	-69.1	80.8	156.2	-72.1	-173.1	36.8	0	0	108.6	D40 A44	D40-Q42 VanDerWaalsContact C-N 3.32Å; D40-Q42 PolarHBondContact O-N 2.61Å; D40-Q42 VanDerWaalsContact O-N 3.08Å; D40-Q42 PolarHBondContact OD2-NE2 2.7Å; Q42-A44 PolarHBondContact O-N 2.83Å; Q42-A44 VanDerWaalsContact O-N 3.13Å
43	A	26.9	Very low	44.3	Very low	91 Å²	91	112 Å²	112	75%	0.752	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-57.8	116.1	173	0	0	0	0	0	109	P41	P41-A43 PolarHBondContact O-N 3.37Å
44	A	26.3	Very low	47.3	Very low	81 Å²	81	112.2 Å²	112.2	67%	0.669	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-56.9	145.4	161.9	0	0	0	0	0	108.5	Q42 E46	Q42-A44 PolarHBondContact O-N 2.83Å; Q42-A44 VanDerWaalsContact O-N 3.13Å; A44-E46 PolarHBondContact O-N 3.37Å; A44-E46 VanDerWaalsContact O-N 3.1Å
45	P	31.3	Very low	50.3	Low	71 Å²	71	107.5 Å²	107.5	46%	0.461	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-55.8	120.5	-176.1	21.3	-32.7	0	0	0	110.9	Y47	P45-Y47 HydrophobicContact CB-CE2 4.19Å; P45-Y47 HydrophobicContact CG-CD2 4.42Å; P45-Y47 HydrophobicContact CG-CE2 3.75Å; P45-Y47 WeakPolarHBondContact O-CD2 3.49Å; P45-Y47 PolarHBondContact O-N 3.06Å
46	E	31.9	Very low	53.3	Low	180 Å²	180	102.8 Å²	102.8	84%	0.841	56%	0.56	S	S	*	*			trans	-77.8	72.2	-174.6	-165.1	171.2	-137.9	0	0	110	A44 A48	A44-E46 PolarHBondContact O-N 3.37Å; A44-E46 VanDerWaalsContact O-N 3.1Å; E46-A48 PolarHBondContact O-N 3.13Å
47	Y	40.9	Very low	56.5	Low	119 Å²	119	91.7 Å²	91.7	47%	0.467	52%	0.518	S	S	.	.			trans	-60.9	131	175	-64.6	-67.8	0	0	0	110.3	P45 H49	P45-Y47 HydrophobicContact CB-CE2 4.19Å; P45-Y47 HydrophobicContact CG-CD2 4.42Å; P45-Y47 HydrophobicContact CG-CE2 3.75Å; P45-Y47 WeakPolarHBondContact O-CD2 3.49Å; P45-Y47 PolarHBondContact O-N 3.06Å; Y47-H49 PolarHBondContact O-CE1 2.89Å; Y47-H49 PolarHBondContact O-N 3.04Å; Y47-H49 PolarHBondContact O-ND1 3.41Å
48	A	48.5	Very low	59.7	Low	60 Å²	60	86.8 Å²	86.8	50%	0.496	49%	0.488	S	S	.	.			trans	-53.6	110.8	-179.9	0	0	0	0	0	111.4	E46 S50 V368	E46-A48 PolarHBondContact O-N 3.13Å; A48-S50 PolarHBondContact O-N 2.75Å; A48-V368 HydrophobicContact CB-CG1 4.4Å
49	H	69.6	Low	63	Low	100 Å²	100	80.9 Å²	80.9	46%	0.463	45%	0.45	S	S	.	.	S	Bend	trans	-68.7	-2.1	-166.3	-60.5	-55.1	0	0	0	116	Y47	Y47-H49 PolarHBondContact O-CE1 2.89Å; Y47-H49 PolarHBondContact O-N 3.04Å; Y47-H49 PolarHBondContact O-ND1 3.41Å
50	S	85.9	Confident	65.9	Low	43 Å²	43	73.5 Å²	73.5	30%	0.301	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	143.7	-178	65.8	0	0	0	0	113.3	A48 I113 L114	A48-S50 PolarHBondContact O-N 2.75Å; S50-I113 CarbonylContact C-O 3.49Å; S50-I113 VanDerWaalsContact CA-O 3.27Å; S50-I113 WeakPolarHBondContact CA-O 3Å; S50-L114 VanDerWaalsContact CB-CD2 3.42Å
51	I	91.4	Very high	69.3	Low	3 Å²	3	68 Å²	68	2%	0.015	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	140.3	162	-61.9	164.9	0	0	0	108.9	L87 M91 R112 I113 R366 N367 V368 W369	I51-L87 HydrophobicContact CD1-CD1 3.99Å; I51-L87 HydrophobicContact CD1-CD2 3.86Å; I51-L87 HydrophobicContact CD1-CG 4.37Å; I51-M91 HydrophobicContact CD1-SD 4.37Å; I51-M91 HydrophobicContact CG2-CE 3.72Å; I51-R112 CarbonylContact O-C 3.59Å; I51-R112 WeakPolarHBondContact O-CA 3.18Å; I51-I113 HydrophobicContact CB-CB 4.26Å; I51-I113 PolarHBondContact N-O 3.37Å; I51-I113 PolarHBondContact O-N 3.21Å; I51-R366 VanDerWaalsContact CG2-O 3.29Å; I51-R366 WeakPolarHBondContact CG2-O 3.25Å; I51-N367 HydrophobicContact CD1-CB 4.09Å; I51-V368 HydrophobicContact CG1-CG2 4.03Å; I51-W369 HydrophobicContact CD1-CE3 3.75Å; I51-W369 HydrophobicContact CD1-CZ3 3.61Å; I51-W369 HydrophobicContact CG1-CE3 4.13Å; I51-W369 HydrophobicContact CG1-CH2 4.49Å; I51-W369 HydrophobicContact CG1-CZ3 3.74Å
52	R	91.7	Very high	72.2	Confident	130 Å²	130	62.8 Å²	62.8	49%	0.491	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.1	170.7	-179.8	-178.9	172.7	130.4	5.1	109.6	D54 A111 D156	R52-D54 IonicContact CZ-OD1 3.06Å; R52-D54 IonicContact NE-OD1 3.27Å; R52-D54 PolarHBondContact NE-OD1 3.11Å; R52-D54 IonicContact NH2-OD1 2.75Å; R52-D54 PolarHBondContact NH2-OD1 2.86Å; R52-D54 VanDerWaalsContact NH2-OD1 3.08Å; R52-A111 CarbonylContact C-O 3.58Å; R52-A111 WeakPolarHBondContact CA-O 3.29Å; R52-D156 IonicContact CZ-OD1 2.81Å; R52-D156 IonicContact CZ-OD2 3.09Å; R52-D156 IonicContact NE-OD1 3.59Å; R52-D156 IonicContact NE-OD2 2.68Å; R52-D156 VanDerWaalsContact NH1-CG 3.27Å; R52-D156 IonicContact NH1-OD1 3.3Å; R52-D156 PolarHBondContact NH1-OD1 2.88Å; R52-D156 IonicContact NH1-OD2 3.82Å; R52-D156 PolarHBondContact NH1-OD2 3.05Å; R52-D156 IonicContact NH2-OD1 2.7Å; R52-D156 PolarHBondContact NH2-OD1 3.17Å; R52-D156 IonicContact NH2-OD2 2.65Å
53	L	92.6	Very high	75.6	Confident	30 Å²	30	54.9 Å²	54.9	16%	0.157	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.8	166.3	-59.3	179.1	0	0	0	106.8	M91 G110 A111 R366	L53-M91 HydrophobicContact CD1-CE 3.75Å; L53-M91 HydrophobicContact CD1-CG 4.44Å; L53-M91 HydrophobicContact CD2-CE 3.79Å; L53-M91 HydrophobicContact CG-CE 3.98Å; L53-G110 CarbonylContact O-C 3.36Å; L53-G110 WeakPolarHBondContact O-CA 3.17Å; L53-A111 HydrophobicContact CD1-CB 4.42Å; L53-A111 PolarHBondContact N-O 2.78Å; L53-A111 PolarHBondContact O-N 3.39Å; L53-R366 HydrophobicContact CD2-CB 4.31Å
54	D	91.6	Very high	78.7	Confident	111 Å²	111	51 Å²	51	59%	0.594	28%	0.278	S	S	*	.			trans	-76.3	154	179.1	-57.1	-63.2	0	0	0	111.7	R52	R52-D54 IonicContact CZ-OD1 3.06Å; R52-D54 IonicContact NE-OD1 3.27Å; R52-D54 PolarHBondContact NE-OD1 3.11Å; R52-D54 IonicContact NH2-OD1 2.75Å; R52-D54 PolarHBondContact NH2-OD1 2.86Å; R52-D54 VanDerWaalsContact NH2-OD1 3.08Å
55	G	92.4	Very high	81.9	Confident	26 Å²	26	47.1 Å²	47.1	27%	0.268	25%	0.247	S	C	.	.			trans	175.2	172.2	178.3	0	0	0	0	0	111.4	I57 I58 T108	G55-I57 VanDerWaalsContact C-N 3.31Å; G55-I57 PolarHBondContact O-N 2.94Å; G55-I58 WeakPolarHBondContact O-CD1 3.39Å; G55-T108 VanDerWaalsContact CA-OG1 3.24Å; G55-T108 WeakPolarHBondContact CA-OG1 3.3Å
56	D	92.4	Very high	84.7	Confident	89 Å²	89	44.4 Å²	44.4	48%	0.476	23%	0.228	S	C	.	.	S	Bend	trans	-67.3	-30.5	-178.5	-57.1	-72.8	0	0	0	112.9	I107 T108	D56-I107 HydrophobicContact CB-CG2 4.16Å; D56-T108 PolarHBondContact N-O 3.11Å; D56-T108 PolarHBondContact N-OG1 3.33Å; D56-T108 WeakPolarHBondContact OD2-CB 3.31Å; D56-T108 PolarHBondContact OD2-N 3.44Å; D56-T108 PolarHBondContact OD2-OG1 2.82Å
57	I	94.9	Very high	87.2	Confident	4 Å²	4	37.1 Å²	37.1	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	119.8	176	-63.4	168.1	0	0	0	109	G55 L59 I107 T108 L109 G110 V159 L427 L441 I448	G55-I57 VanDerWaalsContact C-N 3.31Å; G55-I57 PolarHBondContact O-N 2.94Å; I57-L59 HydrophobicContact CG2-CD2 4.31Å; I57-I107 HydrophobicContact CD1-CG2 3.78Å; I57-I107 HydrophobicContact CG1-CG2 4.28Å; I57-T108 PolarHBondContact N-O 3.37Å; I57-T108 VanDerWaalsContact N-O 3.14Å; I57-L109 HydrophobicContact CB-CD2 3.94Å; I57-L109 HydrophobicContact CD1-CD2 4.45Å; I57-L109 HydrophobicContact CG2-CD2 4.14Å; I57-G110 PolarHBondContact O-N 3.13Å; I57-V159 HydrophobicContact CG2-CB 3.96Å; I57-V159 HydrophobicContact CG2-CG1 4.18Å; I57-V159 HydrophobicContact CG2-CG2 4Å; I57-L427 HydrophobicContact CD1-CD1 4.2Å; I57-L427 HydrophobicContact CD1-CD2 4.28Å; I57-L427 HydrophobicContact CG2-CD1 4.01Å; I57-L441 HydrophobicContact CD1-CD1 3.71Å; I57-L441 HydrophobicContact CG1-CD1 3.72Å; I57-I448 HydrophobicContact CD1-CD1 4.39Å
58	I	95.2	Very high	89.2	Confident	15 Å²	15	37 Å²	37	8%	0.077	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.8	179.6	-48.3	-57.5	0	0	0	111.2	G55 R112 D156 I158 V159	G55-I58 WeakPolarHBondContact O-CD1 3.39Å; I58-R112 HydrophobicContact CG2-CB 4.18Å; I58-D156 HydrophobicContact CG1-CB 4.39Å; I58-D156 HydrophobicContact CG2-CB 4.26Å; I58-I158 HydrophobicContact CB-CD1 4.23Å; I58-I158 HydrophobicContact CG2-CD1 3.61Å; I58-V159 PolarHBondContact O-N 3.35Å
59	L	97.3	Very high	90.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	135.8	172.6	-57.5	-175.7	0	0	0	111.7	I57 M90 L109 G110 A111 R112 M423	I57-L59 HydrophobicContact CG2-CD2 4.31Å; L59-M90 HydrophobicContact CB-CE 3.96Å; L59-L109 HydrophobicContact CD1-CD1 4.45Å; L59-G110 PolarHBondContact N-O 2.96Å; L59-A111 CarbonylContact O-C 3.6Å; L59-A111 WeakPolarHBondContact O-CA 3.3Å; L59-R112 PolarHBondContact O-N 3.25Å; L59-M423 HydrophobicContact CD1-CB 4.45Å; L59-M423 HydrophobicContact CD1-CG 3.97Å; L59-M423 HydrophobicContact CD2-CG 3.7Å; L59-M423 HydrophobicContact CD2-SD 4.46Å
60	G	96.4	Very high	91.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	140.5	170.7	0	0	0	0	0	110.5	R112 G160 V161 I162	G60-R112 CarbonylContact C-O 3.55Å; G60-R112 WeakPolarHBondContact CA-O 3.19Å; G60-G160 PolarHBondContact N-O 3.09Å; G60-V161 CarbonylContact O-C 3.5Å; G60-V161 WeakPolarHBondContact O-CA 3.34Å; G60-I162 PolarHBondContact O-N 2.78Å
61	G	96.8	Very high	90.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.3	175.1	0	0	0	0	0	111.7	R112 I113 L114	G61-R112 PolarHBondContact N-O 2.8Å; G61-I113 WeakPolarHBondContact O-CA 3.28Å; G61-L114 PolarHBondContact O-N 3.35Å
62	L	96.7	Very high	89.7	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	111.1	178	-68.8	178.9	0	0	0	111.2	L114 T116 F130 V161 I162 A164 V173 Y187	L62-L114 HydrophobicContact CD2-CB 4.09Å; L62-L114 HydrophobicContact CD2-CD1 4.39Å; L62-T116 HydrophobicContact CB-CG2 3.9Å; L62-T116 HydrophobicContact CD2-CG2 4.1Å; L62-T116 HydrophobicContact CG-CG2 4.48Å; L62-F130 HydrophobicContact CD1-CE2 4.14Å; L62-F130 HydrophobicContact CD2-CE2 3.73Å; L62-F130 HydrophobicContact CD2-CZ 3.85Å; L62-F130 HydrophobicContact CG-CE2 3.82Å; L62-F130 HydrophobicContact CG-CZ 4.14Å; L62-V161 HydrophobicContact CD1-CG1 3.98Å; L62-V161 HydrophobicContact CG-CG1 4.11Å; L62-I162 PolarHBondContact N-O 2.86Å; L62-A164 HydrophobicContact CB-CB 3.98Å; L62-A164 HydrophobicContact CD1-CB 4.19Å; L62-V173 HydrophobicContact CD1-CB 4.39Å; L62-V173 HydrophobicContact CD1-CG1 3.8Å; L62-V173 HydrophobicContact CD1-CG2 3.98Å; L62-Y187 PolarHBondContact O-OH 3.02Å
63	F	95.8	Very high	89.3	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	152.4	-179.9	-60.7	-84.3	0	0	0	111.5	V65 R86 L87 M90 I113 L114 T116 Y187 V416	F63-V65 VanDerWaalsContact C-N 3.33Å; F63-V65 HydrophobicContact CB-CG2 4.27Å; F63-V65 PolarHBondContact O-N 2.83Å; F63-R86 HydrophobicContact CD1-CB 3.66Å; F63-R86 HydrophobicContact CE1-CB 3.91Å; F63-R86 WeakPolarHBondContact CE1-O 3.15Å; F63-L87 HydrophobicContact CB-CB 4.41Å; F63-L87 HydrophobicContact CD1-CB 4.48Å; F63-L87 HydrophobicContact CD2-CB 4.15Å; F63-L87 HydrophobicContact CD2-CG 4.41Å; F63-L87 HydrophobicContact CG-CB 4.07Å; F63-M90 HydrophobicContact CE2-CB 4.22Å; F63-M90 HydrophobicContact CE2-SD 3.66Å; F63-M90 HydrophobicContact CZ-CB 3.74Å; F63-M90 HydrophobicContact CZ-CG 4.37Å; F63-M90 HydrophobicContact CZ-SD 3.77Å; F63-I113 HydrophobicContact CD2-CG2 3.53Å; F63-I113 HydrophobicContact CE2-CG2 3.89Å; F63-L114 PolarHBondContact N-O 2.76Å; F63-T116 VanDerWaalsContact C-OG1 3.26Å; F63-T116 PolarHBondContact O-N 2.92Å; F63-T116 PolarHBondContact O-OG1 2.87Å; F63-Y187 HydrophobicContact CD1-CE1 4.01Å; F63-Y187 AromaticContact CD1-CZ 3.67Å; F63-Y187 WeakPolarHBondContact CD1-OH 3.29Å; F63-Y187 HydrophobicContact CE1-CD1 4.38Å; F63-Y187 AromaticContact CE1-CE1 3.57Å; F63-Y187 HydrophobicContact CE1-CE1 3.57Å; F63-Y187 AromaticContact CE1-CZ 3.67Å; F63-Y187 HydrophobicContact CZ-CE1 4.17Å; F63-V416 HydrophobicContact CE1-CG1 3.94Å; F63-V416 HydrophobicContact CE1-CG2 4.08Å; F63-V416 HydrophobicContact CZ-CG1 4.03Å
64	P	93.1	Very high	88.6	Confident	8 Å²	8	47.3 Å²	47.3	5%	0.052	26%	0.263	C	S	.	.			trans	-88.8	75.7	170	35.4	-31.2	0	0	0	108.6	H66 K82 G83 T116 A165	P64-H66 VanDerWaalsContact C-N 3.3Å; P64-K82 WeakPolarHBondContact CG-O 3.43Å; P64-G83 WeakPolarHBondContact O-CA 3.38Å; P64-T116 VanDerWaalsContact CA-OG1 3.27Å; P64-T116 WeakPolarHBondContact CA-OG1 3.44Å; P64-A165 HydrophobicContact CG-CB 3.84Å
65	V	93.3	Very high	88.4	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.246	C	C	.	.			trans	-64.2	-42.1	177	-170.8	0	0	0	0	109.1	F63 L78 K79 I84 L87 D115 W369	F63-V65 VanDerWaalsContact C-N 3.33Å; F63-V65 HydrophobicContact CB-CG2 4.27Å; F63-V65 PolarHBondContact O-N 2.83Å; V65-L78 HydrophobicContact CG1-CD1 4.44Å; V65-K79 WeakPolarHBondContact O-CB 3.44Å; V65-K79 PolarHBondContact O-N 3.12Å; V65-I84 HydrophobicContact CG1-CD1 3.7Å; V65-I84 HydrophobicContact CG1-CG1 4.43Å; V65-L87 HydrophobicContact CG2-CD1 3.73Å; V65-D115 HydrophobicContact CB-CB 4.16Å; V65-D115 HydrophobicContact CG2-CB 4.1Å; V65-D115 PolarHBondContact N-OD1 3.03Å; V65-W369 HydrophobicContact CG1-CB 3.94Å; V65-W369 HydrophobicContact CG1-CD2 3.98Å; V65-W369 HydrophobicContact CG1-CE3 4.31Å; V65-W369 HydrophobicContact CG1-CG 3.82Å; V65-W369 HydrophobicContact CG2-CD2 4.39Å; V65-W369 HydrophobicContact CG2-CE3 4.07Å; V65-W369 HydrophobicContact CG2-CZ3 4.22Å
66	H	90.5	Very high	88.1	Confident	14 Å²	14	43.8 Å²	43.8	7%	0.065	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	157.7	172.7	-61.9	90.4	0	0	0	114.1	P64 C75 G76 D115 C117 S118 W369 E372	P64-H66 VanDerWaalsContact C-N 3.3Å; H66-C75 HydrophobicContact CB-CB 3.86Å; H66-G76 WeakPolarHBondContact CB-O 3.29Å; H66-G76 PolarHBondContact CD2-O 3Å; H66-D115 WeakPolarHBondContact CB-OD2 3.36Å; H66-D115 IonicContact CE1-OD2 3.37Å; H66-D115 IonicContact CG-OD2 3.82Å; H66-D115 PolarHBondContact N-OD1 2.65Å; H66-D115 PolarHBondContact N-OD2 3.39Å; H66-D115 IonicContact ND1-OD2 2.69Å; H66-D115 PolarHBondContact ND1-OD2 2.73Å; H66-C117 HydrophobicContact CB-CB 4.46Å; H66-C117 CarbonylContact O-C 3.52Å; H66-S118 PolarHBondContact O-N 3.01Å; H66-S118 PolarHBondContact O-OG 2.86Å; H66-W369 AromaticContact CE1-CD1 3.71Å; H66-W369 AromaticContact CE1-NE1 3.91Å; H66-E372 IonicContact CE1-OE2 2.96Å; H66-E372 IonicContact NE2-OE1 3.63Å; H66-E372 IonicContact NE2-OE2 3.95Å; H66-E372 PolarHBondContact NE2-OE2 3.08Å
67	S	84.8	Confident	87.9	Confident	28 Å²	28	47.4 Å²	47.4	20%	0.196	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	168.4	160.8	60.4	0	0	0	0	111.7	G69 G76 E77 C117	S67-G69 PolarHBondContact O-N 2.78Å; S67-G76 PolarHBondContact O-N 3.36Å; S67-G76 WeakPolarHBondContact OG-CA 3.07Å; S67-E77 WeakPolarHBondContact CB-O 3.47Å; S67-E77 PolarHBondContact N-O 3.05Å; S67-E77 PolarHBondContact OG-N 2.66Å; S67-E77 PolarHBondContact OG-O 3.37Å; S67-C117 CarbonylContact C-O 3.58Å
68	R	81.8	Confident	87.6	Confident	116 Å²	116	47.9 Å²	47.9	44%	0.438	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	126.2	175.4	177.6	179.7	172.5	-152.6	-7.2	108.6	C117 E267	R68-C117 VanDerWaalsContact CA-O 3.26Å; R68-C117 WeakPolarHBondContact CA-O 3.19Å; R68-C117 PolarHBondContact N-O 3.29Å; R68-E267 IonicContact CZ-OE1 2.73Å; R68-E267 IonicContact NH1-OE1 2.64Å; R68-E267 IonicContact NH2-OE1 2.95Å; R68-E267 PolarHBondContact NH2-OE1 3.49Å
69	G	80.9	Confident	87.3	Confident	11 Å²	11	49.5 Å²	49.5	11%	0.113	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-66.7	158.7	176.9	0	0	0	0	0	113.6	S67 C75	S67-G69 PolarHBondContact O-N 2.78Å; G69-C75 VanDerWaalsContact CA-C 3.4Å; G69-C75 WeakPolarHBondContact CA-O 3.47Å
70	D	78.9	Confident	86.8	Confident	146 Å²	146	52.8 Å²	52.8	78%	0.781	28%	0.284	S	S	*	.			trans	-65.4	176.9	169.6	-90.8	-45.2	0	0	0	112.4	G72 T73	D70-G72 PolarHBondContact O-N 3.2Å; D70-T73 PolarHBondContact N-OG1 3.41Å; D70-T73 PolarHBondContact O-N 3.29Å; D70-T73 PolarHBondContact O-OG1 3.04Å
71	R	73.6	Confident	86.3	Confident	220 Å²	220	57.2 Å²	57.2	83%	0.83	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	99.7	-175.9	-69.2	-177	174.7	-177.9	-1.8	112.3	E267	R71-E267 IonicContact CZ-OE2 3.32Å; R71-E267 IonicContact NE-OE2 2.61Å; R71-E267 PolarHBondContact NE-OE2 2.89Å; R71-E267 IonicContact NH2-OE2 3.75Å; R71-E267 PolarHBondContact NH2-OE2 3.44Å
72	G	73.6	Confident	85.8	Confident	81 Å²	81	59.1 Å²	59.1	84%	0.835	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	124.8	-27.8	178.4	0	0	0	0	0	112.9	D70	D70-G72 PolarHBondContact O-N 3.2Å
73	T	82.1	Confident	85.5	Confident	70 Å²	70	59.1 Å²	59.1	43%	0.429	31%	0.314	S	S	.	.			trans	-94.2	146.1	177.2	52	0	0	0	0	111.6	D70 R119	D70-T73 PolarHBondContact N-OG1 3.41Å; D70-T73 PolarHBondContact O-N 3.29Å; D70-T73 PolarHBondContact O-OG1 3.04Å; T73-R119 PolarHBondContact O-NH1 3.01Å
74	P	77.7	Confident	85.4	Confident	55 Å²	55	59.1 Å²	59.1	36%	0.357	31%	0.314	S	S	.	.	S	Bend	trans	-73.3	-36.3	175.9	28	-32.3	0	0	0	112.3	Y122	P74-Y122 HydrophobicContact CB-CD2 4Å; P74-Y122 HydrophobicContact CB-CE2 4.09Å; P74-Y122 HydrophobicContact CB-CG 4.44Å
75	C	87.4	Confident	85.5	Confident	35 Å²	35	59.1 Å²	59.1	24%	0.236	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149	-165.2	-47.7	0	0	0	0	109.8	H66 G69 C117	H66-C75 HydrophobicContact CB-CB 3.86Å; G69-C75 VanDerWaalsContact CA-C 3.4Å; G69-C75 WeakPolarHBondContact CA-O 3.47Å; C75-C117 HydrophobicContact CB-CB 3.71Å; C75-C117 WeakPolarHBondContact CB-SG 2.9Å; C75-C117 WeakPolarHBondContact SG-CB 3.32Å; C75-C117 CovalentContact SG-SG 2.03Å; C75-C117 PolarHBondContact SG-SG 3.37Å
76	G	87.4	Confident	85.6	Confident	28 Å²	28	60 Å²	60	29%	0.289	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-152.3	173.7	0	0	0	0	0	111.7	H66 S67	H66-G76 WeakPolarHBondContact CB-O 3.29Å; H66-G76 PolarHBondContact CD2-O 3Å; S67-G76 PolarHBondContact O-N 3.36Å; S67-G76 WeakPolarHBondContact OG-CA 3.07Å
77	E	87.3	Confident	85.9	Confident	164 Å²	164	59.3 Å²	59.3	77%	0.766	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.8	148.4	177.6	-60.2	175.3	164.9	0	0	114.1	S67	S67-E77 WeakPolarHBondContact CB-O 3.47Å; S67-E77 PolarHBondContact N-O 3.05Å; S67-E77 PolarHBondContact OG-N 2.66Å; S67-E77 PolarHBondContact OG-O 3.37Å
78	L	89.9	Confident	86.4	Confident	14 Å²	14	58 Å²	58	7%	0.073	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	134.9	-177.9	178.2	148.9	0	0	0	113	V65 K80 I84 W369 E372 F373	V65-L78 HydrophobicContact CG1-CD1 4.44Å; L78-K80 HydrophobicContact CD2-CG 4.2Å; L78-K80 PolarHBondContact O-N 3.35Å; L78-I84 HydrophobicContact CD1-CD1 4.29Å; L78-I84 HydrophobicContact CD1-CG1 4.34Å; L78-I84 HydrophobicContact CD2-CG1 4.03Å; L78-I84 HydrophobicContact CG-CG1 4.38Å; L78-W369 HydrophobicContact CD1-CB 4.41Å; L78-E372 HydrophobicContact CB-CG 4.47Å; L78-E372 HydrophobicContact CD1-CB 3.91Å; L78-E372 HydrophobicContact CD1-CG 3.77Å; L78-F373 HydrophobicContact CD1-CB 4.34Å; L78-F373 HydrophobicContact CD2-CB 4.2Å; L78-F373 HydrophobicContact CD2-CD2 4.21Å
79	K	87.9	Confident	87.1	Confident	49 Å²	49	52.5 Å²	52.5	21%	0.213	28%	0.283	C	S	.	.			trans	-94.4	87.1	-178.9	-71.7	-178.9	167.6	176.7	0	111.6	V65 E81 K82 G83 I84 S118	V65-K79 WeakPolarHBondContact O-CB 3.44Å; V65-K79 PolarHBondContact O-N 3.12Å; K79-E81 PolarHBondContact O-N 3.01Å; K79-K82 HydrophobicContact CB-CB 4.32Å; K79-K82 HydrophobicContact CD-CB 4.46Å; K79-G83 VanDerWaalsContact O-CA 3.26Å; K79-G83 WeakPolarHBondContact O-CA 3.31Å; K79-G83 PolarHBondContact O-N 2.97Å; K79-I84 PolarHBondContact O-N 2.86Å; K79-I84 VanDerWaalsContact O-N 3.17Å; K79-S118 PolarHBondContact NZ-OG 3.03Å
80	K	87.9	Confident	87.9	Confident	69 Å²	69	52 Å²	52	30%	0.3	28%	0.278	S	S	.	.	I	π-helix	trans	-39.2	-65.8	177.4	-60.9	173.5	-166.1	176	0	112.7	L78 I84 H85 F373 E376	L78-K80 HydrophobicContact CD2-CG 4.2Å; L78-K80 PolarHBondContact O-N 3.35Å; K80-I84 WeakPolarHBondContact O-CB 3.47Å; K80-I84 PolarHBondContact O-N 2.92Å; K80-H85 PolarHBondContact O-CD2 2.04Å; K80-H85 PolarHBondContact O-N 3.11Å; K80-F373 HydrophobicContact CB-CD2 4.34Å; K80-F373 HydrophobicContact CB-CE2 4.04Å; K80-F373 HydrophobicContact CG-CD2 4.26Å; K80-F373 HydrophobicContact CG-CE2 4.24Å; K80-E376 WeakPolarHBondContact CE-O 3.41Å; K80-E376 WeakPolarHBondContact CE-OE1 3.38Å; K80-E376 PolarHBondContact NZ-O 2.95Å; K80-E376 IonicContact NZ-OE1 3.72Å; K80-E376 PolarHBondContact NZ-OE1 3.04Å
81	E	85.4	Confident	88.8	Confident	93 Å²	93	45 Å²	45	44%	0.435	24%	0.24	S	C	.	.	I	π-helix	trans	-76.4	-58.7	-179	-68.4	163.5	-154.2	0	0	112.5	K79 G83 H85 E410	K79-E81 PolarHBondContact O-N 3.01Å; E81-G83 PolarHBondContact O-N 3.2Å; E81-H85 WeakPolarHBondContact O-CB 3.37Å; E81-H85 PolarHBondContact O-N 3.08Å; E81-E410 HydrophobicContact CB-CB 4Å; E81-E410 HydrophobicContact CB-CG 3.87Å
82	K	84.8	Confident	89.9	Confident	41 Å²	41	35.5 Å²	35.5	18%	0.178	21%	0.205	C	C	.	.	I	π-helix	trans	-71.3	-19.1	-166.9	-61.6	164.2	-170.4	165.5	0	113.6	P64 K79 R86 E295	P64-K82 WeakPolarHBondContact CG-O 3.43Å; K79-K82 HydrophobicContact CB-CB 4.32Å; K79-K82 HydrophobicContact CD-CB 4.46Å; K82-R86 VanDerWaalsContact O-CD 3.3Å; K82-R86 WeakPolarHBondContact O-CD 3.25Å; K82-R86 PolarHBondContact O-NH1 2.79Å; K82-E295 WeakPolarHBondContact CE-OE1 3.34Å; K82-E295 WeakPolarHBondContact CE-OE2 3.19Å; K82-E295 IonicContact NZ-OE1 3.26Å; K82-E295 PolarHBondContact NZ-OE1 2.93Å; K82-E295 IonicContact NZ-OE2 2.8Å; K82-E295 PolarHBondContact NZ-OE2 3.07Å
83	G	91.1	Very high	91	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	I	π-helix	trans	-106.2	-71.9	176.2	0	0	0	0	0	111.7	P64 K79 E81 R86 L87	P64-G83 WeakPolarHBondContact O-CA 3.38Å; K79-G83 VanDerWaalsContact O-CA 3.26Å; K79-G83 WeakPolarHBondContact O-CA 3.31Å; K79-G83 PolarHBondContact O-N 2.97Å; E81-G83 PolarHBondContact O-N 3.2Å; G83-R86 PolarHBondContact O-N 3.47Å; G83-L87 WeakPolarHBondContact O-CB 3.37Å; G83-L87 PolarHBondContact O-N 2.93Å
84	I	94.2	Very high	91.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	I	π-helix	trans	-66.8	-43.2	-168.2	-59.6	-70.3	0	0	0	112.8	V65 L78 K79 K80 R86 L87 E88 F356 W369 F370 F373	V65-I84 HydrophobicContact CG1-CD1 3.7Å; V65-I84 HydrophobicContact CG1-CG1 4.43Å; L78-I84 HydrophobicContact CD1-CD1 4.29Å; L78-I84 HydrophobicContact CD1-CG1 4.34Å; L78-I84 HydrophobicContact CD2-CG1 4.03Å; L78-I84 HydrophobicContact CG-CG1 4.38Å; K79-I84 PolarHBondContact O-N 2.86Å; K79-I84 VanDerWaalsContact O-N 3.17Å; K80-I84 WeakPolarHBondContact O-CB 3.47Å; K80-I84 PolarHBondContact O-N 2.92Å; I84-R86 VanDerWaalsContact C-N 3.26Å; I84-R86 PolarHBondContact O-N 2.71Å; I84-L87 PolarHBondContact O-N 3.06Å; I84-E88 HydrophobicContact CG2-CG 4.13Å; I84-E88 VanDerWaalsContact O-CB 3.31Å; I84-E88 WeakPolarHBondContact O-CB 3.41Å; I84-E88 WeakPolarHBondContact O-CG 3.41Å; I84-E88 PolarHBondContact O-N 2.83Å; I84-F356 HydrophobicContact CG2-CE2 4.15Å; I84-F356 HydrophobicContact CG2-CZ 4.22Å; I84-W369 HydrophobicContact CD1-CB 3.83Å; I84-F370 HydrophobicContact CG2-CD2 4.48Å; I84-F373 HydrophobicContact CB-CD2 4.12Å; I84-F373 HydrophobicContact CB-CG 4.49Å; I84-F373 HydrophobicContact CD1-CB 4.46Å; I84-F373 HydrophobicContact CG1-CB 4.13Å; I84-F373 HydrophobicContact CG1-CD2 4.08Å; I84-F373 HydrophobicContact CG1-CG 4.3Å; I84-F373 HydrophobicContact CG2-CB 4.48Å; I84-F373 HydrophobicContact CG2-CD1 4.43Å; I84-F373 HydrophobicContact CG2-CD2 4.07Å; I84-F373 HydrophobicContact CG2-CE2 4.47Å; I84-F373 HydrophobicContact CG2-CG 4.04Å
85	H	94.8	Very high	92.6	Very high	8 Å²	8	27.4 Å²	27.4	4%	0.037	14%	0.137	C	C	.	.	I	π-helix	trans	-60.6	-38.2	177.1	-61.7	-179.7	0	0	0	111.4	K80 E81 A89 F352 F356 Y407 E408 E410 V413	K80-H85 PolarHBondContact O-CD2 2.04Å; K80-H85 PolarHBondContact O-N 3.11Å; E81-H85 WeakPolarHBondContact O-CB 3.37Å; E81-H85 PolarHBondContact O-N 3.08Å; H85-A89 WeakPolarHBondContact O-CB 3.16Å; H85-A89 PolarHBondContact O-N 2.97Å; H85-F352 HydrophobicContact CB-CE1 4.33Å; H85-F352 HydrophobicContact CB-CZ 4.42Å; H85-F352 WeakPolarHBondContact O-CZ 3.26Å; H85-F356 AromaticContact CD2-CE1 3.78Å; H85-F356 AromaticContact CD2-CE2 3.65Å; H85-F356 AromaticContact CD2-CZ 3.31Å; H85-F356 WeakPolarHBondContact CD2-CZ 3.39Å; H85-F356 AromaticContact NE2-CE1 3.65Å; H85-F356 AromaticContact NE2-CZ 3.64Å; H85-Y407 AromaticContact CE1-CD2 3.97Å; H85-Y407 AromaticContact CE1-CE2 3.56Å; H85-Y407 AromaticContact NE2-CE2 3.66Å; H85-E408 PolarHBondContact CE1-O 3.4Å; H85-E410 HydrophobicContact CB-CB 4.13Å; H85-V413 HydrophobicContact CB-CG2 4.05Å
86	R	95.4	Very high	93	Very high	18 Å²	18	28.5 Å²	28.5	7%	0.068	14%	0.14	C	C	.	.	H	α-helix	trans	-72.2	-43.5	179.7	-63.4	-167.5	-169.6	143.9	-9.6	112.7	F63 K82 G83 I84 A89 M90 E410 V416	F63-R86 HydrophobicContact CD1-CB 3.66Å; F63-R86 HydrophobicContact CE1-CB 3.91Å; F63-R86 WeakPolarHBondContact CE1-O 3.15Å; K82-R86 VanDerWaalsContact O-CD 3.3Å; K82-R86 WeakPolarHBondContact O-CD 3.25Å; K82-R86 PolarHBondContact O-NH1 2.79Å; G83-R86 PolarHBondContact O-N 3.47Å; I84-R86 VanDerWaalsContact C-N 3.26Å; I84-R86 PolarHBondContact O-N 2.71Å; R86-A89 WeakPolarHBondContact O-CB 3.42Å; R86-A89 PolarHBondContact O-N 3.02Å; R86-M90 PolarHBondContact O-N 2.93Å; R86-E410 IonicContact CZ-OE1 3.34Å; R86-E410 IonicContact CZ-OE2 2.7Å; R86-E410 IonicContact NE-OE1 2.99Å; R86-E410 IonicContact NE-OE2 3.47Å; R86-E410 PolarHBondContact NE-OE2 3.4Å; R86-E410 IonicContact NH2-OE1 2.73Å; R86-E410 PolarHBondContact NH2-OE1 3.26Å; R86-E410 IonicContact NH2-OE2 3.62Å; R86-E410 PolarHBondContact NH2-OE2 3.11Å; R86-V416 HydrophobicContact CB-CG2 3.97Å; R86-V416 HydrophobicContact CG-CG2 4.25Å; R86-V416 WeakPolarHBondContact O-CG1 3.37Å
87	L	96.2	Very high	93.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.3	-49.7	174.9	178.1	157.2	0	0	0	110.7	I51 F63 V65 G83 I84 A89 M90 M91 I113 W369	I51-L87 HydrophobicContact CD1-CD1 3.99Å; I51-L87 HydrophobicContact CD1-CD2 3.86Å; I51-L87 HydrophobicContact CD1-CG 4.37Å; F63-L87 HydrophobicContact CB-CB 4.41Å; F63-L87 HydrophobicContact CD1-CB 4.48Å; F63-L87 HydrophobicContact CD2-CB 4.15Å; F63-L87 HydrophobicContact CD2-CG 4.41Å; F63-L87 HydrophobicContact CG-CB 4.07Å; V65-L87 HydrophobicContact CG2-CD1 3.73Å; G83-L87 WeakPolarHBondContact O-CB 3.37Å; G83-L87 PolarHBondContact O-N 2.93Å; I84-L87 PolarHBondContact O-N 3.06Å; L87-A89 VanDerWaalsContact C-N 3.26Å; L87-A89 PolarHBondContact O-N 3.46Å; L87-M90 PolarHBondContact O-N 3.36Å; L87-M90 VanDerWaalsContact O-N 3.16Å; L87-M91 HydrophobicContact CD2-CG 4.33Å; L87-M91 HydrophobicContact CD2-SD 3.63Å; L87-M91 WeakPolarHBondContact O-CG 3.36Å; L87-M91 PolarHBondContact O-N 2.94Å; L87-I113 HydrophobicContact CD1-CG2 3.98Å; L87-I113 HydrophobicContact CG-CD1 4.38Å; L87-I113 HydrophobicContact CG-CG2 4.16Å; L87-W369 HydrophobicContact CD1-CE3 3.65Å; L87-W369 HydrophobicContact CD1-CZ3 3.68Å
88	E	96.4	Very high	94	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.5	-30.6	177.5	-73.9	-73.1	159.8	0	0	112.4	I84 M91 F92 F352 Y355 F356 N364 N367	I84-E88 HydrophobicContact CG2-CG 4.13Å; I84-E88 VanDerWaalsContact O-CB 3.31Å; I84-E88 WeakPolarHBondContact O-CB 3.41Å; I84-E88 WeakPolarHBondContact O-CG 3.41Å; I84-E88 PolarHBondContact O-N 2.83Å; E88-M91 PolarHBondContact O-N 3.2Å; E88-F92 VanDerWaalsContact O-CB 3.27Å; E88-F92 WeakPolarHBondContact O-CB 3.11Å; E88-F92 PolarHBondContact O-N 3.48Å; E88-F352 HydrophobicContact CB-CE2 4.05Å; E88-F352 HydrophobicContact CB-CZ 4.11Å; E88-Y355 HydrophobicContact CB-CE1 4.24Å; E88-Y355 WeakPolarHBondContact OE2-CE1 3.34Å; E88-Y355 PolarHBondContact OE2-OH 2.63Å; E88-F356 HydrophobicContact CB-CD2 4.06Å; E88-F356 HydrophobicContact CB-CE2 4.07Å; E88-F356 HydrophobicContact CG-CD2 4.27Å; E88-F356 HydrophobicContact CG-CE2 3.91Å; E88-N364 PolarHBondContact OE1-ND2 3Å; E88-N367 VanDerWaalsContact OE1-CB 3.29Å; E88-N367 WeakPolarHBondContact OE1-CB 3.06Å; E88-N367 PolarHBondContact OE1-ND2 3.18Å
89	A	97	Very high	94.3	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.3	-35.9	174.4	0	0	0	0	0	112.8	H85 R86 L87 A93 F352 V413 V416 M417	H85-A89 WeakPolarHBondContact O-CB 3.16Å; H85-A89 PolarHBondContact O-N 2.97Å; R86-A89 WeakPolarHBondContact O-CB 3.42Å; R86-A89 PolarHBondContact O-N 3.02Å; L87-A89 VanDerWaalsContact C-N 3.26Å; L87-A89 PolarHBondContact O-N 3.46Å; A89-A93 WeakPolarHBondContact O-CB 3.44Å; A89-A93 PolarHBondContact O-N 3.47Å; A89-F352 HydrophobicContact CB-CD2 4.26Å; A89-F352 HydrophobicContact CB-CE2 3.94Å; A89-F352 HydrophobicContact CB-CZ 4.29Å; A89-V413 HydrophobicContact CB-CB 4.32Å; A89-V413 HydrophobicContact CB-CG1 3.9Å; A89-V413 HydrophobicContact CB-CG2 4.16Å; A89-V416 HydrophobicContact CB-CB 4.23Å; A89-V416 HydrophobicContact CB-CG1 4.25Å; A89-M417 HydrophobicContact CB-CG 4.09Å
90	M	97.5	Very high	94.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.1	-45.3	171.4	176.1	172.7	-177.1	0	0	111.3	L59 F63 R86 L87 F92 A93 I94 A111 I113 I162 V416 V420	L59-M90 HydrophobicContact CB-CE 3.96Å; F63-M90 HydrophobicContact CE2-CB 4.22Å; F63-M90 HydrophobicContact CE2-SD 3.66Å; F63-M90 HydrophobicContact CZ-CB 3.74Å; F63-M90 HydrophobicContact CZ-CG 4.37Å; F63-M90 HydrophobicContact CZ-SD 3.77Å; R86-M90 PolarHBondContact O-N 2.93Å; L87-M90 PolarHBondContact O-N 3.36Å; L87-M90 VanDerWaalsContact O-N 3.16Å; M90-F92 VanDerWaalsContact C-N 3.3Å; M90-F92 PolarHBondContact O-N 3.07Å; M90-A93 PolarHBondContact O-N 3Å; M90-I94 HydrophobicContact CE-CD1 4.17Å; M90-I94 HydrophobicContact CG-CD1 4.15Å; M90-I94 WeakPolarHBondContact O-CG1 3.42Å; M90-I94 PolarHBondContact O-N 3.23Å; M90-A111 HydrophobicContact CE-CB 3.99Å; M90-I113 HydrophobicContact SD-CD1 4.23Å; M90-I113 HydrophobicContact SD-CG1 4.32Å; M90-I162 HydrophobicContact CE-CB 4.24Å; M90-I162 HydrophobicContact CE-CG1 4.08Å; M90-I162 HydrophobicContact SD-CB 4.15Å; M90-I162 HydrophobicContact SD-CG2 4.44Å; M90-V416 HydrophobicContact CB-CG1 3.83Å; M90-V420 HydrophobicContact CB-CG2 4.29Å; M90-V420 HydrophobicContact CG-CG2 3.84Å
91	M	96.3	Very high	94.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.9	-36.4	178	-55.6	-176.4	90.7	0	0	111.8	I51 L53 L87 E88 D95 I113 R366 N367	I51-M91 HydrophobicContact CD1-SD 4.37Å; I51-M91 HydrophobicContact CG2-CE 3.72Å; L53-M91 HydrophobicContact CD1-CE 3.75Å; L53-M91 HydrophobicContact CD1-CG 4.44Å; L53-M91 HydrophobicContact CD2-CE 3.79Å; L53-M91 HydrophobicContact CG-CE 3.98Å; L87-M91 HydrophobicContact CD2-CG 4.33Å; L87-M91 HydrophobicContact CD2-SD 3.63Å; L87-M91 WeakPolarHBondContact O-CG 3.36Å; L87-M91 PolarHBondContact O-N 2.94Å; E88-M91 PolarHBondContact O-N 3.2Å; M91-D95 VanDerWaalsContact O-CG 3.24Å; M91-D95 PolarHBondContact O-N 3.24Å; M91-I113 HydrophobicContact CG-CD1 3.83Å; M91-I113 HydrophobicContact SD-CD1 4.44Å; M91-R366 HydrophobicContact CE-CB 4.1Å; M91-R366 HydrophobicContact CE-CG 3.64Å; M91-N367 HydrophobicContact SD-CB 4.4Å
92	F	96.6	Very high	95.2	Very high	20 Å²	20	34.1 Å²	34.1	9%	0.088	17%	0.172	C	C	.	.	H	α-helix	trans	-71.5	-39.2	175.6	179.8	-124.9	0	0	0	113	E88 M90 I94 D95 L96 A351 F352 Y355 M417	E88-F92 VanDerWaalsContact O-CB 3.27Å; E88-F92 WeakPolarHBondContact O-CB 3.11Å; E88-F92 PolarHBondContact O-N 3.48Å; M90-F92 VanDerWaalsContact C-N 3.3Å; M90-F92 PolarHBondContact O-N 3.07Å; F92-I94 VanDerWaalsContact C-N 3.32Å; F92-I94 PolarHBondContact O-N 3.02Å; F92-D95 WeakPolarHBondContact O-CB 3.1Å; F92-D95 PolarHBondContact O-N 3.12Å; F92-L96 HydrophobicContact CD1-CD1 4.15Å; F92-L96 HydrophobicContact CD2-CG 4.33Å; F92-L96 HydrophobicContact CE1-CD1 3.72Å; F92-L96 HydrophobicContact CE1-CG 4.43Å; F92-L96 HydrophobicContact CE2-CD1 4.15Å; F92-L96 HydrophobicContact CE2-CD2 4.04Å; F92-L96 HydrophobicContact CE2-CG 3.98Å; F92-L96 HydrophobicContact CZ-CD1 3.73Å; F92-L96 HydrophobicContact CZ-CD2 4.09Å; F92-L96 HydrophobicContact CZ-CG 4.05Å; F92-L96 WeakPolarHBondContact O-CG 3.46Å; F92-L96 PolarHBondContact O-N 2.9Å; F92-A351 HydrophobicContact CE1-CB 4.05Å; F92-A351 HydrophobicContact CZ-CB 3.99Å; F92-F352 HydrophobicContact CB-CD2 4.2Å; F92-F352 HydrophobicContact CB-CE2 4.49Å; F92-F352 HydrophobicContact CD1-CB 4.1Å; F92-F352 AromaticContact CD1-CD2 3.75Å; F92-F352 HydrophobicContact CD1-CD2 3.75Å; F92-F352 HydrophobicContact CD1-CG 4.44Å; F92-F352 HydrophobicContact CE1-CB 4.08Å; F92-F352 HydrophobicContact CE1-CD2 4.5Å; F92-F352 HydrophobicContact CG-CD2 4.23Å; F92-Y355 HydrophobicContact CB-CD1 4.12Å; F92-Y355 HydrophobicContact CB-CD2 4.2Å; F92-Y355 HydrophobicContact CB-CE1 4.14Å; F92-Y355 HydrophobicContact CB-CE2 4.16Å; F92-Y355 HydrophobicContact CB-CG 4.2Å; F92-Y355 HydrophobicContact CD1-CG 4.43Å; F92-Y355 HydrophobicContact CD2-CD1 4.25Å; F92-Y355 AromaticContact CD2-CD2 3.17Å; F92-Y355 HydrophobicContact CD2-CD2 3.17Å; F92-Y355 AromaticContact CD2-CE2 3.77Å; F92-Y355 HydrophobicContact CD2-CE2 3.77Å; F92-Y355 AromaticContact CD2-CG 3.48Å; F92-Y355 HydrophobicContact CD2-CG 3.48Å; F92-Y355 VanDerWaalsContact CD2-CG 3.48Å; F92-Y355 AromaticContact CE2-CD2 3.67Å; F92-Y355 HydrophobicContact CE2-CD2 3.67Å; F92-Y355 AromaticContact CE2-CG 3.86Å; F92-Y355 HydrophobicContact CE2-CG 3.86Å; F92-Y355 HydrophobicContact CG-CD1 4.12Å; F92-Y355 AromaticContact CG-CD2 3.86Å; F92-Y355 HydrophobicContact CG-CD2 3.86Å; F92-Y355 HydrophobicContact CG-CE2 4.3Å; F92-Y355 AromaticContact CG-CG 3.79Å; F92-Y355 HydrophobicContact CG-CG 3.79Å; F92-Y355 HydrophobicContact CZ-CG 4.46Å; F92-M417 HydrophobicContact CD1-CE 3.73Å; F92-M417 HydrophobicContact CD1-SD 4.09Å; F92-M417 HydrophobicContact CE1-CE 3.91Å; F92-M417 HydrophobicContact CE1-SD 4.5Å
93	A	97.4	Very high	95.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-43.1	173.4	0	0	0	0	0	111.1	A89 M90 L96 I97 M417 V420 Y421	A89-A93 WeakPolarHBondContact O-CB 3.44Å; A89-A93 PolarHBondContact O-N 3.47Å; M90-A93 PolarHBondContact O-N 3Å; A93-L96 PolarHBondContact O-N 2.75Å; A93-I97 WeakPolarHBondContact O-CD1 3.41Å; A93-I97 VanDerWaalsContact O-CG1 3.27Å; A93-I97 WeakPolarHBondContact O-CG1 3.38Å; A93-I97 PolarHBondContact O-N 2.72Å; A93-M417 HydrophobicContact CB-CB 4.33Å; A93-M417 HydrophobicContact CB-CG 4.26Å; A93-V420 HydrophobicContact CB-CB 3.88Å; A93-V420 HydrophobicContact CB-CG1 3.88Å; A93-V420 HydrophobicContact CB-CG2 4.27Å; A93-Y421 HydrophobicContact CB-CE2 4.47Å
94	I	97.6	Very high	95.8	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.015	17%	0.166	C	C	.	.	H	α-helix	trans	-62.5	-43.3	173.7	-68.4	170.1	0	0	0	111.2	M90 F92 L96 I97 N98 L109 A111 V420	M90-I94 HydrophobicContact CE-CD1 4.17Å; M90-I94 HydrophobicContact CG-CD1 4.15Å; M90-I94 WeakPolarHBondContact O-CG1 3.42Å; M90-I94 PolarHBondContact O-N 3.23Å; F92-I94 VanDerWaalsContact C-N 3.32Å; F92-I94 PolarHBondContact O-N 3.02Å; I94-L96 PolarHBondContact O-N 2.95Å; I94-I97 PolarHBondContact O-N 2.53Å; I94-N98 WeakPolarHBondContact CG2-ND2 3.41Å; I94-N98 WeakPolarHBondContact O-CB 3.39Å; I94-N98 PolarHBondContact O-N 2.8Å; I94-L109 HydrophobicContact CG2-CB 4.27Å; I94-L109 WeakPolarHBondContact CG2-O 3.39Å; I94-A111 HydrophobicContact CD1-CB 3.69Å; I94-V420 HydrophobicContact CG1-CG1 4.06Å
95	D	96.3	Very high	95.7	Very high	34 Å²	34	35 Å²	35	18%	0.182	18%	0.181	C	C	.	.	H	α-helix	trans	-59.9	-27.6	174.4	-75.1	-23	0	0	0	113.7	M91 F92 K99 R366	M91-D95 VanDerWaalsContact O-CG 3.24Å; M91-D95 PolarHBondContact O-N 3.24Å; F92-D95 WeakPolarHBondContact O-CB 3.1Å; F92-D95 PolarHBondContact O-N 3.12Å; D95-K99 WeakPolarHBondContact O-CD 3.27Å; D95-K99 VanDerWaalsContact O-CG 3.31Å; D95-K99 WeakPolarHBondContact O-CG 3.39Å; D95-K99 PolarHBondContact O-NZ 3.33Å; D95-R366 VanDerWaalsContact CG-NH1 3.27Å; D95-R366 IonicContact OD1-CZ 2.71Å; D95-R366 IonicContact OD1-NH1 2.67Å; D95-R366 PolarHBondContact OD1-NH1 3.17Å; D95-R366 IonicContact OD1-NH2 2.99Å; D95-R366 IonicContact OD2-CZ 3.26Å; D95-R366 VanDerWaalsContact OD2-CZ 3.31Å; D95-R366 IonicContact OD2-NH1 2.66Å; D95-R366 PolarHBondContact OD2-NH1 2.85Å; D95-R366 VanDerWaalsContact OD2-NH1 3.09Å; D95-R366 IonicContact OD2-NH2 3.05Å; D95-R366 PolarHBondContact OD2-NH2 3.4Å
96	L	96.3	Very high	95.6	Very high	58 Å²	58	41 Å²	41	30%	0.304	21%	0.213	S	C	.	.	H	α-helix	trans	-82.5	-48.1	177.1	-70.4	172.7	0	0	0	110.8	F92 A93 I94 N98 K99 D100 M417 Y421	F92-L96 HydrophobicContact CD1-CD1 4.15Å; F92-L96 HydrophobicContact CD2-CG 4.33Å; F92-L96 HydrophobicContact CE1-CD1 3.72Å; F92-L96 HydrophobicContact CE1-CG 4.43Å; F92-L96 HydrophobicContact CE2-CD1 4.15Å; F92-L96 HydrophobicContact CE2-CD2 4.04Å; F92-L96 HydrophobicContact CE2-CG 3.98Å; F92-L96 HydrophobicContact CZ-CD1 3.73Å; F92-L96 HydrophobicContact CZ-CD2 4.09Å; F92-L96 HydrophobicContact CZ-CG 4.05Å; F92-L96 WeakPolarHBondContact O-CG 3.46Å; F92-L96 PolarHBondContact O-N 2.9Å; A93-L96 PolarHBondContact O-N 2.75Å; I94-L96 PolarHBondContact O-N 2.95Å; L96-N98 PolarHBondContact O-N 2.68Å; L96-K99 CarbonylContact O-C 3.55Å; L96-K99 PolarHBondContact O-N 3.09Å; L96-D100 PolarHBondContact O-N 2.77Å; L96-M417 HydrophobicContact CD1-CE 3.86Å; L96-Y421 WeakPolarHBondContact CB-OH 3.34Å
97	I	97.1	Very high	95.5	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.015	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-43.9	-179.7	-64.9	157.6	0	0	0	110.6	A93 I94 K99 D100 L103 L104 L109 V420 Y421 A424	A93-I97 WeakPolarHBondContact O-CD1 3.41Å; A93-I97 VanDerWaalsContact O-CG1 3.27Å; A93-I97 WeakPolarHBondContact O-CG1 3.38Å; A93-I97 PolarHBondContact O-N 2.72Å; I94-I97 PolarHBondContact O-N 2.53Å; I97-K99 PolarHBondContact O-N 3.44Å; I97-D100 WeakPolarHBondContact O-CB 3.21Å; I97-D100 PolarHBondContact O-N 2.76Å; I97-L103 HydrophobicContact CG1-CD2 4.22Å; I97-L103 HydrophobicContact CG2-CD2 4.23Å; I97-L103 HydrophobicContact CG2-CG 4.37Å; I97-L104 HydrophobicContact CG2-CD1 4.33Å; I97-L109 HydrophobicContact CB-CD1 4.45Å; I97-L109 HydrophobicContact CD1-CD1 4.27Å; I97-L109 HydrophobicContact CG2-CD1 3.79Å; I97-L109 HydrophobicContact CG2-CG 4.41Å; I97-V420 HydrophobicContact CD1-CG1 3.71Å; I97-Y421 HydrophobicContact CD1-CD1 4.06Å; I97-Y421 HydrophobicContact CD1-CE1 4.1Å; I97-Y421 HydrophobicContact CD1-CG 4.33Å; I97-Y421 HydrophobicContact CG1-CD1 3.94Å; I97-Y421 HydrophobicContact CG1-CE1 3.55Å; I97-A424 HydrophobicContact CD1-CB 3.84Å; I97-A424 HydrophobicContact CG1-CB 4.42Å; I97-A424 HydrophobicContact CG2-CB 4.12Å
98	N	97.1	Very high	95.5	Very high	62 Å²	62	43.3 Å²	43.3	33%	0.332	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	3.1	176.5	-66.6	-8.7	0	0	0	114	I94 L96 L109	I94-N98 WeakPolarHBondContact CG2-ND2 3.41Å; I94-N98 WeakPolarHBondContact O-CB 3.39Å; I94-N98 PolarHBondContact O-N 2.8Å; L96-N98 PolarHBondContact O-N 2.68Å; N98-L109 PolarHBondContact ND2-O 3.15Å; N98-L109 PolarHBondContact OD1-N 3.26Å
99	K	96.4	Very high	95.5	Very high	151 Å²	151	43.3 Å²	43.3	66%	0.657	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-0.9	172.3	-62.7	-175.4	-169.2	94.8	0	112.8	D95 L96 I97	D95-K99 WeakPolarHBondContact O-CD 3.27Å; D95-K99 VanDerWaalsContact O-CG 3.31Å; D95-K99 WeakPolarHBondContact O-CG 3.39Å; D95-K99 PolarHBondContact O-NZ 3.33Å; L96-K99 CarbonylContact O-C 3.55Å; L96-K99 PolarHBondContact O-N 3.09Å; I97-K99 PolarHBondContact O-N 3.44Å
100	D	95.1	Very high	95.5	Very high	54 Å²	54	43.3 Å²	43.3	29%	0.289	23%	0.229	S	C	.	.			trans	-84.6	119	-179.7	-169.9	-31.4	0	0	0	109.2	L96 I97 E102 L103	L96-D100 PolarHBondContact O-N 2.77Å; I97-D100 WeakPolarHBondContact O-CB 3.21Å; I97-D100 PolarHBondContact O-N 2.76Å; D100-E102 VanDerWaalsContact C-N 3.3Å; D100-E102 WeakPolarHBondContact OD1-CA 3.29Å; D100-E102 WeakPolarHBondContact OD1-CB 3.34Å; D100-E102 PolarHBondContact OD1-N 3.11Å; D100-L103 HydrophobicContact CB-CB 4.14Å; D100-L103 PolarHBondContact OD1-N 3.25Å
101	P	93.1	Very high	95.4	Very high	110 Å²	110	43.3 Å²	43.3	71%	0.714	23%	0.229	S	C	*	.	S	Bend	trans	-77.2	-14.8	178.9	32.6	-35.4	0	0	0	113.2
102	E	93.3	Very high	95.3	Very high	155 Å²	155	45 Å²	45	72%	0.724	24%	0.235	S	C	*	.	S	Bend	trans	-93.2	-30.2	-179.2	-60.3	-166	179.2	0	0	112.5	D100 H428	D100-E102 VanDerWaalsContact C-N 3.3Å; D100-E102 WeakPolarHBondContact OD1-CA 3.29Å; D100-E102 WeakPolarHBondContact OD1-CB 3.34Å; D100-E102 PolarHBondContact OD1-N 3.11Å; E102-H428 PolarHBondContact O-NE2 3.25Å
103	L	94.1	Very high	95.3	Very high	6 Å²	6	44 Å²	44	3%	0.031	23%	0.231	C	C	.	.	S	Bend	trans	-107.8	117	-175.2	-173	61.3	0	0	0	111.8	I97 D100 Y421 A424 H425 H428	I97-L103 HydrophobicContact CG1-CD2 4.22Å; I97-L103 HydrophobicContact CG2-CD2 4.23Å; I97-L103 HydrophobicContact CG2-CG 4.37Å; D100-L103 HydrophobicContact CB-CB 4.14Å; D100-L103 PolarHBondContact OD1-N 3.25Å; L103-Y421 HydrophobicContact CD2-CD1 3.95Å; L103-Y421 HydrophobicContact CD2-CE1 4.09Å; L103-A424 HydrophobicContact CD2-CB 4.02Å; L103-A424 HydrophobicContact CG-CB 4.4Å; L103-H425 WeakPolarHBondContact CD1-ND1 3.44Å; L103-H428 HydrophobicContact CD1-CB 3.65Å
104	L	94	Very high	95.1	Very high	5 Å²	5	44 Å²	44	3%	0.026	23%	0.231	C	C	.	.	S	Bend	trans	54.9	48.7	-176.3	-64	173.3	0	0	0	114.9	I97 N106 I107 L109 A424 L427 H428	I97-L104 HydrophobicContact CG2-CD1 4.33Å; L104-N106 PolarHBondContact O-N 3.22Å; L104-I107 HydrophobicContact CB-CB 4.26Å; L104-I107 HydrophobicContact CD2-CD1 4.45Å; L104-I107 PolarHBondContact O-N 3.47Å; L104-I107 VanDerWaalsContact O-O 3.13Å; L104-L109 HydrophobicContact CD1-CD1 3.94Å; L104-L109 HydrophobicContact CD1-CD2 3.77Å; L104-L109 HydrophobicContact CD1-CG 3.89Å; L104-A424 HydrophobicContact CD1-CB 4.06Å; L104-L427 HydrophobicContact CD1-CB 4.44Å; L104-L427 HydrophobicContact CD2-CB 4.07Å; L104-H428 WeakPolarHBondContact CA-CE1 3.43Å; L104-H428 HydrophobicContact CD2-CB 3.86Å; L104-H428 HydrophobicContact CG-CB 4.11Å; L104-H428 PolarHBondContact N-CE1 3Å; L104-H428 PolarHBondContact N-ND1 2.91Å; L104-H428 VanDerWaalsContact N-ND1 3.15Å
105	P	92.5	Very high	95	Very high	48 Å²	48	44.1 Å²	44.1	31%	0.312	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	131.2	-179.1	25.8	-34.9	0	0	0	112.4	I107 H428	P105-I107 PolarHBondContact O-N 2.87Å; P105-H428 WeakPolarHBondContact CD-NE2 3.38Å
106	N	91.3	Very high	94.8	Very high	133 Å²	133	42.7 Å²	42.7	71%	0.711	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	21.1	-174.2	-52.3	-55.4	0	0	0	115.2	L104 G440	L104-N106 PolarHBondContact O-N 3.22Å; N106-G440 VanDerWaalsContact O-CA 3.29Å; N106-G440 WeakPolarHBondContact O-CA 3.29Å
107	I	94.1	Very high	94.4	Very high	7 Å²	7	40 Å²	40	4%	0.036	21%	0.21	C	C	.	.			trans	-126.1	124	172.6	-60.4	174.7	0	0	0	108.6	D56 I57 L104 P105 H431 L441	D56-I107 HydrophobicContact CB-CG2 4.16Å; I57-I107 HydrophobicContact CD1-CG2 3.78Å; I57-I107 HydrophobicContact CG1-CG2 4.28Å; L104-I107 HydrophobicContact CB-CB 4.26Å; L104-I107 HydrophobicContact CD2-CD1 4.45Å; L104-I107 PolarHBondContact O-N 3.47Å; L104-I107 VanDerWaalsContact O-O 3.13Å; P105-I107 PolarHBondContact O-N 2.87Å; I107-H431 VanDerWaalsContact CD1-CD2 3.46Å; I107-H431 WeakPolarHBondContact CD1-CD2 3.45Å; I107-L441 HydrophobicContact CD1-CD1 4.48Å; I107-L441 HydrophobicContact CG2-CD1 4.35Å
108	T	95.6	Very high	93.9	Very high	60 Å²	60	41.4 Å²	41.4	37%	0.368	22%	0.22	S	C	.	.			trans	-94.6	132	178.6	59.1	0	0	0	0	111.8	G55 D56 I57	G55-T108 VanDerWaalsContact CA-OG1 3.24Å; G55-T108 WeakPolarHBondContact CA-OG1 3.3Å; D56-T108 PolarHBondContact N-O 3.11Å; D56-T108 PolarHBondContact N-OG1 3.33Å; D56-T108 WeakPolarHBondContact OD2-CB 3.31Å; D56-T108 PolarHBondContact OD2-N 3.44Å; D56-T108 PolarHBondContact OD2-OG1 2.82Å; I57-T108 PolarHBondContact N-O 3.37Å; I57-T108 VanDerWaalsContact N-O 3.14Å
109	L	97.1	Very high	93.3	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	122.9	167.3	-62.9	-174.8	0	0	0	109.9	I57 L59 I94 I97 N98 L104 A424 L427	I57-L109 HydrophobicContact CB-CD2 3.94Å; I57-L109 HydrophobicContact CD1-CD2 4.45Å; I57-L109 HydrophobicContact CG2-CD2 4.14Å; L59-L109 HydrophobicContact CD1-CD1 4.45Å; I94-L109 HydrophobicContact CG2-CB 4.27Å; I94-L109 WeakPolarHBondContact CG2-O 3.39Å; I97-L109 HydrophobicContact CB-CD1 4.45Å; I97-L109 HydrophobicContact CD1-CD1 4.27Å; I97-L109 HydrophobicContact CG2-CD1 3.79Å; I97-L109 HydrophobicContact CG2-CG 4.41Å; N98-L109 PolarHBondContact ND2-O 3.15Å; N98-L109 PolarHBondContact OD1-N 3.26Å; L104-L109 HydrophobicContact CD1-CD1 3.94Å; L104-L109 HydrophobicContact CD1-CD2 3.77Å; L104-L109 HydrophobicContact CD1-CG 3.89Å; L109-A424 HydrophobicContact CD1-CB 4.05Å; L109-L427 HydrophobicContact CD2-CD1 4.06Å
110	G	96.6	Very high	92.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	178.1	165.9	0	0	0	0	0	111.5	L53 I57 L59	L53-G110 CarbonylContact O-C 3.36Å; L53-G110 WeakPolarHBondContact O-CA 3.17Å; I57-G110 PolarHBondContact O-N 3.13Å; L59-G110 PolarHBondContact N-O 2.96Å
111	A	96	Very high	92.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	149.2	178.5	0	0	0	0	0	113.8	R52 L53 L59 M90 I94 I113	R52-A111 CarbonylContact C-O 3.58Å; R52-A111 WeakPolarHBondContact CA-O 3.29Å; L53-A111 HydrophobicContact CD1-CB 4.42Å; L53-A111 PolarHBondContact N-O 2.78Å; L53-A111 PolarHBondContact O-N 3.39Å; L59-A111 CarbonylContact O-C 3.6Å; L59-A111 WeakPolarHBondContact O-CA 3.3Å; M90-A111 HydrophobicContact CE-CB 3.99Å; I94-A111 HydrophobicContact CD1-CB 3.69Å; A111-I113 HydrophobicContact CB-CG1 4.24Å
112	R	94.5	Very high	92.3	Very high	34 Å²	34	33.2 Å²	33.2	13%	0.128	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	107.2	167.1	-170.6	171.4	178.8	-165.5	-1.9	108.8	I51 I58 L59 G60 G61 L114 T129 F130 I158	I51-R112 CarbonylContact O-C 3.59Å; I51-R112 WeakPolarHBondContact O-CA 3.18Å; I58-R112 HydrophobicContact CG2-CB 4.18Å; L59-R112 PolarHBondContact O-N 3.25Å; G60-R112 CarbonylContact C-O 3.55Å; G60-R112 WeakPolarHBondContact CA-O 3.19Å; G61-R112 PolarHBondContact N-O 2.8Å; R112-L114 HydrophobicContact CG-CD2 4.37Å; R112-T129 PolarHBondContact NH1-O 3.04Å; R112-F130 HydrophobicContact CB-CE1 4.49Å; R112-F130 HydrophobicContact CG-CE1 4.5Å; R112-F130 WeakPolarHBondContact O-CE1 3.31Å; R112-I158 HydrophobicContact CB-CD1 3.94Å
113	I	95.6	Very high	92.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.1	-173.1	-53.7	177.3	0	0	0	109.7	S50 I51 G61 F63 L87 M90 M91 A111	S50-I113 CarbonylContact C-O 3.49Å; S50-I113 VanDerWaalsContact CA-O 3.27Å; S50-I113 WeakPolarHBondContact CA-O 3Å; I51-I113 HydrophobicContact CB-CB 4.26Å; I51-I113 PolarHBondContact N-O 3.37Å; I51-I113 PolarHBondContact O-N 3.21Å; G61-I113 WeakPolarHBondContact O-CA 3.28Å; F63-I113 HydrophobicContact CD2-CG2 3.53Å; F63-I113 HydrophobicContact CE2-CG2 3.89Å; L87-I113 HydrophobicContact CD1-CG2 3.98Å; L87-I113 HydrophobicContact CG-CD1 4.38Å; L87-I113 HydrophobicContact CG-CG2 4.16Å; M90-I113 HydrophobicContact SD-CD1 4.23Å; M90-I113 HydrophobicContact SD-CG1 4.32Å; M91-I113 HydrophobicContact CG-CD1 3.83Å; M91-I113 HydrophobicContact SD-CD1 4.44Å; A111-I113 HydrophobicContact CB-CG1 4.24Å
114	L	94.2	Very high	92	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	150.6	179.4	-44.1	177.3	0	0	0	110.2	S50 G61 L62 F63 R112 Q126 T129 F130	S50-L114 VanDerWaalsContact CB-CD2 3.42Å; G61-L114 PolarHBondContact O-N 3.35Å; L62-L114 HydrophobicContact CD2-CB 4.09Å; L62-L114 HydrophobicContact CD2-CD1 4.39Å; F63-L114 PolarHBondContact N-O 2.76Å; R112-L114 HydrophobicContact CG-CD2 4.37Å; L114-Q126 HydrophobicContact CB-CB 4.43Å; L114-Q126 HydrophobicContact CD1-CB 3.99Å; L114-Q126 WeakPolarHBondContact CD1-O 2.95Å; L114-T129 WeakPolarHBondContact CD1-OG1 3.2Å; L114-F130 HydrophobicContact CD1-CD1 4.03Å; L114-F130 HydrophobicContact CD1-CE1 3.46Å; L114-F130 VanDerWaalsContact CD1-CE1 3.46Å; L114-F130 HydrophobicContact CD1-CE2 4.11Å; L114-F130 HydrophobicContact CD1-CZ 3.51Å; L114-F130 HydrophobicContact CD2-CE1 4.46Å; L114-F130 HydrophobicContact CG-CE1 3.69Å; L114-F130 HydrophobicContact CG-CZ 3.76Å
115	D	93.9	Very high	91.7	Very high	5 Å²	5	33 Å²	33	3%	0.027	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	144.3	166.6	-167.5	8.2	0	0	0	111.1	V65 H66 C117 W369	V65-D115 HydrophobicContact CB-CB 4.16Å; V65-D115 HydrophobicContact CG2-CB 4.1Å; V65-D115 PolarHBondContact N-OD1 3.03Å; H66-D115 WeakPolarHBondContact CB-OD2 3.36Å; H66-D115 IonicContact CE1-OD2 3.37Å; H66-D115 IonicContact CG-OD2 3.82Å; H66-D115 PolarHBondContact N-OD1 2.65Å; H66-D115 PolarHBondContact N-OD2 3.39Å; H66-D115 IonicContact ND1-OD2 2.69Å; H66-D115 PolarHBondContact ND1-OD2 2.73Å; D115-C117 PolarHBondContact OD1-N 2.7Å; D115-C117 PolarHBondContact OD2-SG 2.69Å; D115-W369 HydrophobicContact CB-CH2 4.4Å; D115-W369 HydrophobicContact CB-CZ2 4.15Å
116	T	92.3	Very high	91.5	Very high	3 Å²	3	32 Å²	32	2%	0.018	17%	0.166	C	C	.	.			trans	-97.9	-12.2	172.9	57.6	0	0	0	0	112.6	L62 F63 P64 S118 R119 A123 A164 V169	L62-T116 HydrophobicContact CB-CG2 3.9Å; L62-T116 HydrophobicContact CD2-CG2 4.1Å; L62-T116 HydrophobicContact CG-CG2 4.48Å; F63-T116 VanDerWaalsContact C-OG1 3.26Å; F63-T116 PolarHBondContact O-N 2.92Å; F63-T116 PolarHBondContact O-OG1 2.87Å; P64-T116 VanDerWaalsContact CA-OG1 3.27Å; P64-T116 WeakPolarHBondContact CA-OG1 3.44Å; T116-S118 PolarHBondContact O-N 3.23Å; T116-R119 PolarHBondContact O-N 2.76Å; T116-A123 HydrophobicContact CG2-CB 3.8Å; T116-A164 HydrophobicContact CG2-CB 4.41Å; T116-V169 HydrophobicContact CG2-CG1 4.13Å
117	C	89.4	Confident	91.4	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.007	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	46	29.3	-173.6	-62.9	0	0	0	0	113.9	H66 S67 R68 C75 D115 R119 Y122	H66-C117 HydrophobicContact CB-CB 4.46Å; H66-C117 CarbonylContact O-C 3.52Å; S67-C117 CarbonylContact C-O 3.58Å; R68-C117 VanDerWaalsContact CA-O 3.26Å; R68-C117 WeakPolarHBondContact CA-O 3.19Å; R68-C117 PolarHBondContact N-O 3.29Å; C75-C117 HydrophobicContact CB-CB 3.71Å; C75-C117 WeakPolarHBondContact CB-SG 2.9Å; C75-C117 WeakPolarHBondContact SG-CB 3.32Å; C75-C117 CovalentContact SG-SG 2.03Å; C75-C117 PolarHBondContact SG-SG 3.37Å; D115-C117 PolarHBondContact OD1-N 2.7Å; D115-C117 PolarHBondContact OD2-SG 2.69Å; C117-R119 PolarHBondContact O-N 3.33Å; C117-Y122 HydrophobicContact CB-CD1 3.8Å; C117-Y122 HydrophobicContact CB-CE1 4.07Å; C117-Y122 WeakPolarHBondContact SG-CE1 3.49Å
118	S	85	Confident	91.1	Very high	34 Å²	34	29.3 Å²	29.3	24%	0.238	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	20.6	-172.6	-48.1	0	0	0	0	115	H66 K79 T116	H66-S118 PolarHBondContact O-N 3.01Å; H66-S118 PolarHBondContact O-OG 2.86Å; K79-S118 PolarHBondContact NZ-OG 3.03Å; T116-S118 PolarHBondContact O-N 3.23Å
119	R	85.6	Confident	90.6	Very high	63 Å²	63	27.5 Å²	27.5	24%	0.238	14%	0.14	C	C	.	.			trans	-124.5	120.3	-173.4	-168.6	173.4	85.2	-179.9	3	111.1	T73 T116 C117 T121 Y122 A123	T73-R119 PolarHBondContact O-NH1 3.01Å; T116-R119 PolarHBondContact O-N 2.76Å; C117-R119 PolarHBondContact O-N 3.33Å; R119-T121 PolarHBondContact NE-OG1 2.92Å; R119-T121 PolarHBondContact O-N 2.86Å; R119-Y122 PolarHBondContact O-N 2.63Å; R119-A123 WeakPolarHBondContact O-CB 3.29Å; R119-A123 PolarHBondContact O-N 2.78Å
120	D	86.9	Confident	90.3	Very high	36 Å²	36	27.5 Å²	27.5	19%	0.193	14%	0.14	C	C	.	.	H	α-helix	trans	-56.1	-47.6	-177.8	41	24.4	0	0	0	113.4	Y122 L124 V169 M172 R266	D120-Y122 PolarHBondContact O-N 3.14Å; D120-L124 WeakPolarHBondContact O-CB 3.33Å; D120-L124 PolarHBondContact O-N 2.91Å; D120-V169 HydrophobicContact CB-CG2 4.39Å; D120-M172 HydrophobicContact CB-CG 4.13Å; D120-R266 IonicContact OD2-NH1 3.35Å; D120-R266 PolarHBondContact OD2-NH1 3.04Å
121	T	87.9	Confident	89.8	Confident	87 Å²	87	27.5 Å²	27.5	53%	0.534	14%	0.14	S	C	.	.	H	α-helix	trans	-64.4	-37.4	178.4	56.3	0	0	0	0	114.3	R119 E125	R119-T121 PolarHBondContact NE-OG1 2.92Å; R119-T121 PolarHBondContact O-N 2.86Å; T121-E125 PolarHBondContact O-N 3.07Å
122	Y	89.1	Confident	89.1	Confident	19 Å²	19	31.5 Å²	31.5	8%	0.075	16%	0.159	C	C	.	.	H	α-helix	trans	-75.5	-43.7	179.4	178.8	-106.4	0	0	0	111.2	P74 C117 R119 D120 L124 E125 Q126	P74-Y122 HydrophobicContact CB-CD2 4Å; P74-Y122 HydrophobicContact CB-CE2 4.09Å; P74-Y122 HydrophobicContact CB-CG 4.44Å; C117-Y122 HydrophobicContact CB-CD1 3.8Å; C117-Y122 HydrophobicContact CB-CE1 4.07Å; C117-Y122 WeakPolarHBondContact SG-CE1 3.49Å; R119-Y122 PolarHBondContact O-N 2.63Å; D120-Y122 PolarHBondContact O-N 3.14Å; Y122-L124 PolarHBondContact O-N 3.34Å; Y122-E125 WeakPolarHBondContact O-CB 3.5Å; Y122-E125 PolarHBondContact O-N 2.82Å; Y122-Q126 HydrophobicContact CD1-CG 4.09Å; Y122-Q126 HydrophobicContact CD2-CG 4.37Å; Y122-Q126 HydrophobicContact CE1-CG 3.69Å; Y122-Q126 HydrophobicContact CE2-CG 4.01Å; Y122-Q126 VanDerWaalsContact CE2-NE2 3.32Å; Y122-Q126 HydrophobicContact CG-CG 4.43Å; Y122-Q126 WeakPolarHBondContact O-CG 3.27Å; Y122-Q126 PolarHBondContact O-N 2.86Å
123	A	90.6	Very high	88	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.9	-33.2	175.4	0	0	0	0	0	112.7	T116 R119 S127 V169	T116-A123 HydrophobicContact CG2-CB 3.8Å; R119-A123 WeakPolarHBondContact O-CB 3.29Å; R119-A123 PolarHBondContact O-N 2.78Å; A123-S127 VanDerWaalsContact O-CB 3.25Å; A123-S127 WeakPolarHBondContact O-CB 3.24Å; A123-S127 PolarHBondContact O-N 3.41Å; A123-S127 PolarHBondContact O-OG 3.34Å; A123-V169 HydrophobicContact CB-CB 4.48Å; A123-V169 HydrophobicContact CB-CG1 3.35Å; A123-V169 HydrophobicContact CB-CG2 4.38Å
124	L	89.3	Confident	87	Confident	50 Å²	50	34.4 Å²	34.4	26%	0.262	18%	0.181	S	C	.	.	H	α-helix	trans	-64.3	-49.6	172.9	-173.6	65.1	0	0	0	111.7	D120 Y122 S127 L128 M172 I176	D120-L124 WeakPolarHBondContact O-CB 3.33Å; D120-L124 PolarHBondContact O-N 2.91Å; Y122-L124 PolarHBondContact O-N 3.34Å; L124-S127 PolarHBondContact O-N 2.82Å; L124-L128 PolarHBondContact O-N 3.24Å; L124-M172 HydrophobicContact CD1-CB 4.18Å; L124-M172 VanDerWaalsContact CD1-O 3.29Å; L124-M172 WeakPolarHBondContact CD1-O 3.26Å; L124-I176 HydrophobicContact CD1-CD1 3.36Å; L124-I176 HydrophobicContact CD1-CG1 3.76Å; L124-I176 HydrophobicContact CG-CD1 4.06Å
125	E	88.5	Confident	86.1	Confident	111 Å²	111	38.5 Å²	38.5	52%	0.519	20%	0.202	S	C	.	.	H	α-helix	trans	-56.6	-49.1	175.1	175.9	-176.6	-152.3	0	0	111.6	T121 Y122 S127 L128	T121-E125 PolarHBondContact O-N 3.07Å; Y122-E125 WeakPolarHBondContact O-CB 3.5Å; Y122-E125 PolarHBondContact O-N 2.82Å; E125-S127 VanDerWaalsContact C-N 3.33Å; E125-S127 PolarHBondContact O-N 3.42Å; E125-L128 WeakPolarHBondContact O-CB 3.37Å; E125-L128 PolarHBondContact O-N 3.01Å
126	Q	87.4	Confident	84.3	Confident	27 Å²	27	47.5 Å²	47.5	13%	0.126	24%	0.244	C	C	.	.	H	α-helix	trans	-63.6	-37.8	177	-62.9	-47.6	-55.7	0	0	112.1	L114 Y122 L128 T129	L114-Q126 HydrophobicContact CB-CB 4.43Å; L114-Q126 HydrophobicContact CD1-CB 3.99Å; L114-Q126 WeakPolarHBondContact CD1-O 2.95Å; Y122-Q126 HydrophobicContact CD1-CG 4.09Å; Y122-Q126 HydrophobicContact CD2-CG 4.37Å; Y122-Q126 HydrophobicContact CE1-CG 3.69Å; Y122-Q126 HydrophobicContact CE2-CG 4.01Å; Y122-Q126 VanDerWaalsContact CE2-NE2 3.32Å; Y122-Q126 HydrophobicContact CG-CG 4.43Å; Y122-Q126 WeakPolarHBondContact O-CG 3.27Å; Y122-Q126 PolarHBondContact O-N 2.86Å; Q126-L128 PolarHBondContact O-N 3.35Å; Q126-T129 WeakPolarHBondContact O-CB 3.39Å; Q126-T129 WeakPolarHBondContact O-CG2 3.17Å; Q126-T129 PolarHBondContact O-N 3.2Å; Q126-T129 PolarHBondContact O-OG1 2.78Å
127	S	89.1	Confident	82.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-67.1	-19.8	179.8	-62	0	0	0	0	113.9	A123 L124 E125 T129 F130 V173	A123-S127 VanDerWaalsContact O-CB 3.25Å; A123-S127 WeakPolarHBondContact O-CB 3.24Å; A123-S127 PolarHBondContact O-N 3.41Å; A123-S127 PolarHBondContact O-OG 3.34Å; L124-S127 PolarHBondContact O-N 2.82Å; E125-S127 VanDerWaalsContact C-N 3.33Å; E125-S127 PolarHBondContact O-N 3.42Å; S127-T129 PolarHBondContact O-N 3.16Å; S127-F130 WeakPolarHBondContact O-CB 3.48Å; S127-F130 PolarHBondContact O-N 3.23Å; S127-F130 VanDerWaalsContact O-N 3.11Å; S127-V173 WeakPolarHBondContact OG-CG2 3.21Å
128	L	87.6	Confident	81	Confident	84 Å²	84	64.3 Å²	64.3	44%	0.44	32%	0.318	S	S	.	.	H	α-helix	trans	-58.2	-26.4	168.7	-67.4	170.1	0	0	0	111.9	L124 E125 Q126 F130 V131 Q132 I176	L124-L128 PolarHBondContact O-N 3.24Å; E125-L128 WeakPolarHBondContact O-CB 3.37Å; E125-L128 PolarHBondContact O-N 3.01Å; Q126-L128 PolarHBondContact O-N 3.35Å; L128-F130 VanDerWaalsContact C-N 3.26Å; L128-F130 PolarHBondContact O-N 2.8Å; L128-V131 WeakPolarHBondContact O-CG2 3.46Å; L128-V131 PolarHBondContact O-N 3.08Å; L128-Q132 PolarHBondContact O-N 3.06Å; L128-I176 HydrophobicContact CD2-CD1 3.66Å; L128-I176 HydrophobicContact CG-CD1 4.36Å
129	T	86.9	Confident	79.7	Confident	22 Å²	22	64 Å²	64	14%	0.135	32%	0.321	C	S	.	.	H	α-helix	trans	-70.3	-19.1	178.4	72.4	0	0	0	0	114	R112 L114 Q126 S127	R112-T129 PolarHBondContact NH1-O 3.04Å; L114-T129 WeakPolarHBondContact CD1-OG1 3.2Å; Q126-T129 WeakPolarHBondContact O-CB 3.39Å; Q126-T129 WeakPolarHBondContact O-CG2 3.17Å; Q126-T129 PolarHBondContact O-N 3.2Å; Q126-T129 PolarHBondContact O-OG1 2.78Å; S127-T129 PolarHBondContact O-N 3.16Å
130	F	89.2	Confident	78.5	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-73.9	-29.5	173.4	-64	-32	0	0	0	112.8	L62 R112 L114 S127 L128 I158 V161	L62-F130 HydrophobicContact CD1-CE2 4.14Å; L62-F130 HydrophobicContact CD2-CE2 3.73Å; L62-F130 HydrophobicContact CD2-CZ 3.85Å; L62-F130 HydrophobicContact CG-CE2 3.82Å; L62-F130 HydrophobicContact CG-CZ 4.14Å; R112-F130 HydrophobicContact CB-CE1 4.49Å; R112-F130 HydrophobicContact CG-CE1 4.5Å; R112-F130 WeakPolarHBondContact O-CE1 3.31Å; L114-F130 HydrophobicContact CD1-CD1 4.03Å; L114-F130 HydrophobicContact CD1-CE1 3.46Å; L114-F130 VanDerWaalsContact CD1-CE1 3.46Å; L114-F130 HydrophobicContact CD1-CE2 4.11Å; L114-F130 HydrophobicContact CD1-CZ 3.51Å; L114-F130 HydrophobicContact CD2-CE1 4.46Å; L114-F130 HydrophobicContact CG-CE1 3.69Å; L114-F130 HydrophobicContact CG-CZ 3.76Å; S127-F130 WeakPolarHBondContact O-CB 3.48Å; S127-F130 PolarHBondContact O-N 3.23Å; S127-F130 VanDerWaalsContact O-N 3.11Å; L128-F130 VanDerWaalsContact C-N 3.26Å; L128-F130 PolarHBondContact O-N 2.8Å; F130-I158 HydrophobicContact CB-CB 4.22Å; F130-I158 HydrophobicContact CB-CG1 3.79Å; F130-I158 HydrophobicContact CB-CG2 4.43Å; F130-I158 HydrophobicContact CD1-CD1 4.18Å; F130-I158 HydrophobicContact CD1-CG1 3.74Å; F130-I158 HydrophobicContact CG-CG1 4.06Å; F130-V161 HydrophobicContact CD2-CG2 3.86Å; F130-V161 HydrophobicContact CE2-CG1 3.98Å; F130-V161 HydrophobicContact CE2-CG2 4.02Å
131	V	86.4	Confident	77.3	Confident	1 Å²	1	70 Å²	70	1%	0.006	36%	0.364	C	S	.	.	H	α-helix	trans	-95	-5.7	-178	-59.8	0	0	0	0	113.3	L128 A133 L134 I135 I176 L177 F180 I182	L128-V131 WeakPolarHBondContact O-CG2 3.46Å; L128-V131 PolarHBondContact O-N 3.08Å; V131-A133 PolarHBondContact O-N 2.87Å; V131-A133 VanDerWaalsContact O-N 3.11Å; V131-L134 PolarHBondContact O-N 2.84Å; V131-I135 HydrophobicContact CG2-CD1 4.12Å; V131-I135 PolarHBondContact O-N 2.89Å; V131-I176 HydrophobicContact CG1-CG2 4.41Å; V131-L177 HydrophobicContact CG1-CD2 4.49Å; V131-F180 HydrophobicContact CB-CD1 4.06Å; V131-F180 HydrophobicContact CB-CD2 3.88Å; V131-F180 HydrophobicContact CB-CE1 4.1Å; V131-F180 HydrophobicContact CB-CE2 3.91Å; V131-F180 HydrophobicContact CB-CG 3.95Å; V131-F180 HydrophobicContact CB-CZ 4.02Å; V131-F180 HydrophobicContact CG1-CB 3.98Å; V131-F180 HydrophobicContact CG1-CD1 4.23Å; V131-F180 HydrophobicContact CG1-CD2 3.46Å; V131-F180 VanDerWaalsContact CG1-CD2 3.46Å; V131-F180 HydrophobicContact CG1-CE2 3.96Å; V131-F180 HydrophobicContact CG1-CG 3.61Å; V131-F180 HydrophobicContact CG2-CD2 4.29Å; V131-F180 HydrophobicContact CG2-CE2 3.9Å; V131-F180 HydrophobicContact CG2-CZ 4.05Å; V131-I182 HydrophobicContact CG1-CD1 3.91Å
132	Q	81.4	Confident	76.2	Confident	83 Å²	83	69.3 Å²	69.3	39%	0.388	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-27	175.4	-79.5	172.3	-10	0	0	114.1	L128 L134 P155	L128-Q132 PolarHBondContact O-N 3.06Å; Q132-L134 VanDerWaalsContact C-N 3.29Å; Q132-P155 HydrophobicContact CB-CB 4.15Å; Q132-P155 HydrophobicContact CB-CG 4.38Å
133	A	72	Confident	75.2	Confident	33 Å²	33	78.4 Å²	78.4	27%	0.273	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.9	175.8	0	0	0	0	0	114.1	V131 P155 D156 K157	V131-A133 PolarHBondContact O-N 2.87Å; V131-A133 VanDerWaalsContact O-N 3.11Å; A133-P155 HydrophobicContact CB-CB 4.03Å; A133-P155 WeakPolarHBondContact CB-O 3.34Å; A133-D156 WeakPolarHBondContact CB-O 3.47Å; A133-K157 HydrophobicContact CB-CB 4.14Å
134	L	74.1	Confident	74.3	Confident	62 Å²	62	80.9 Å²	80.9	33%	0.325	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-8.4	-177.7	-56.6	176.3	0	0	0	112.4	V131 Q132 K157 F180 I182	V131-L134 PolarHBondContact O-N 2.84Å; Q132-L134 VanDerWaalsContact C-N 3.29Å; L134-K157 HydrophobicContact CD2-CD 4.48Å; L134-F180 HydrophobicContact CB-CD1 3.91Å; L134-F180 HydrophobicContact CB-CE1 4.36Å; L134-F180 HydrophobicContact CD1-CB 3.91Å; L134-F180 HydrophobicContact CD1-CD1 4.07Å; L134-F180 HydrophobicContact CD1-CG 4.39Å; L134-I182 HydrophobicContact CD1-CD1 3.98Å; L134-I182 HydrophobicContact CD1-CG1 4.31Å
135	I	74.6	Confident	73.5	Confident	88 Å²	88	83.8 Å²	83.8	45%	0.451	44%	0.441	S	S	.	.	S	Bend	trans	-94.4	102.7	172.4	-61.6	167.4	0	0	0	106.6	V131 R137 F180	V131-I135 HydrophobicContact CG2-CD1 4.12Å; V131-I135 PolarHBondContact O-N 2.89Å; I135-R137 PolarHBondContact O-N 3.24Å; I135-F180 HydrophobicContact CD1-CE1 4.48Å; I135-F180 HydrophobicContact CD1-CZ 4.18Å; I135-F180 HydrophobicContact CG1-CE1 3.9Å; I135-F180 HydrophobicContact CG1-CZ 4.05Å
136	E	58	Low	72.9	Confident	193 Å²	193	85.1 Å²	85.1	90%	0.902	45%	0.452	S	S	*	.			trans	-58.1	137.3	179.1	-65.4	-176.6	141.3	0	0	110.8
137	R	57	Low	72.2	Confident	208 Å²	208	87 Å²	87	79%	0.785	48%	0.478	S	S	*	.			trans	-118.8	113.7	170.4	-74.7	-174.6	170.7	-167.4	-3.6	107.7	I135 G139	I135-R137 PolarHBondContact O-N 3.24Å; R137-G139 PolarHBondContact O-N 3.31Å
138	D	53.8	Low	71.4	Confident	149 Å²	149	91 Å²	91	80%	0.797	50%	0.5	S	S	*	.			trans	-62.3	104.1	168.3	-86.3	-47.7	0	0	0	109.5	S140	D138-S140 PolarHBondContact O-N 3.27Å
139	G	57.4	Low	70.4	Confident	28 Å²	28	92.3 Å²	92.3	29%	0.289	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-79.3	0.2	179.6	0	0	0	0	0	114	R137 D141	R137-G139 PolarHBondContact O-N 3.31Å; G139-D141 VanDerWaalsContact C-N 3.3Å; G139-D141 PolarHBondContact O-N 3.45Å
140	S	61.9	Low	69.5	Low	81 Å²	81	92.7 Å²	92.7	57%	0.566	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-61.9	-34.8	-175.5	51.7	0	0	0	0	113.8	D138	D138-S140 PolarHBondContact O-N 3.27Å
141	D	60.2	Low	68.3	Low	145 Å²	145	100.4 Å²	100.4	78%	0.775	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-93.8	-11.3	-166.9	-69.1	20.8	0	0	0	112.3	G139	G139-D141 VanDerWaalsContact C-N 3.3Å; G139-D141 PolarHBondContact O-N 3.45Å
142	V	65.8	Low	67.2	Low	72 Å²	72	105.2 Å²	105.2	44%	0.436	58%	0.577	S	S	.	*			trans	-90.1	120.8	178.2	-174.6	0	0	0	0	109.6	P150 F152	V142-P150 HydrophobicContact CB-CB 4.47Å; V142-P150 HydrophobicContact CB-CG 4.2Å; V142-P150 HydrophobicContact CG1-CB 3.94Å; V142-P150 HydrophobicContact CG1-CG 4.2Å; V142-P150 WeakPolarHBondContact O-CD 3.21Å; V142-P150 WeakPolarHBondContact O-CG 3.14Å; V142-F152 HydrophobicContact CB-CZ 3.89Å; V142-F152 HydrophobicContact CG1-CZ 4.33Å; V142-F152 HydrophobicContact CG2-CE1 4.49Å; V142-F152 HydrophobicContact CG2-CZ 3.93Å
143	R	68.4	Low	66.3	Low	209 Å²	209	107.3 Å²	107.3	79%	0.789	60%	0.596	S	S	*	*			trans	-124.9	138.3	169.8	-63.3	-174	178.9	-160.3	-1.9	109.5
144	C	70.8	Confident	65.9	Low	53 Å²	53	114.6 Å²	114.6	36%	0.358	62%	0.621	S	S	.	*			trans	-68.4	150.6	171	-67.5	0	0	0	0	109.9	N146 G147 D148	C144-N146 PolarHBondContact O-N 3.4Å; C144-G147 PolarHBondContact O-N 2.92Å; C144-D148 HydrophobicContact CB-CB 4.21Å; C144-D148 WeakPolarHBondContact CB-O 3.39Å; C144-D148 PolarHBondContact N-O 2.93Å
145	A	73.3	Confident	65.8	Low	110 Å²	110	114.5 Å²	114.5	91%	0.909	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-22.4	-178.8	0	0	0	0	0	113.7
146	N	75.6	Confident	66	Low	140 Å²	140	111.1 Å²	111.1	75%	0.749	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-7.2	177.5	-60.1	-0.9	0	0	0	113.9	C144 D148	C144-N146 PolarHBondContact O-N 3.4Å; N146-D148 VanDerWaalsContact C-N 3.32Å; N146-D148 VanDerWaalsContact CB-OD2 3.22Å; N146-D148 WeakPolarHBondContact CB-OD2 3.21Å
147	G	72.1	Confident	67.4	Low	65 Å²	65	105.5 Å²	105.5	67%	0.67	58%	0.58	S	S	*	*	S	Bend	trans	88	-10.1	-171	0	0	0	0	0	114.9	C144	C144-G147 PolarHBondContact O-N 2.92Å
148	D	73.3	Confident	69.1	Low	86 Å²	86	95.9 Å²	95.9	46%	0.46	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-59.7	149	175.4	-64.2	-57	0	0	0	112.7	C144 N146	C144-D148 HydrophobicContact CB-CB 4.21Å; C144-D148 WeakPolarHBondContact CB-O 3.39Å; C144-D148 PolarHBondContact N-O 2.93Å; N146-D148 VanDerWaalsContact C-N 3.32Å; N146-D148 VanDerWaalsContact CB-OD2 3.22Å; N146-D148 WeakPolarHBondContact CB-OD2 3.21Å
149	P	66.4	Low	71	Confident	110 Å²	110	89.7 Å²	89.7	71%	0.714	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-66.7	137.2	171	28.8	-34.1	0	0	0	110.7	I151	P149-I151 PolarHBondContact O-N 2.98Å
150	P	67.7	Low	72.9	Confident	31 Å²	31	88.3 Å²	88.3	20%	0.201	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-64.6	128.1	-179.6	28.2	-37.6	0	0	0	112.1	V142 F152	V142-P150 HydrophobicContact CB-CB 4.47Å; V142-P150 HydrophobicContact CB-CG 4.2Å; V142-P150 HydrophobicContact CG1-CB 3.94Å; V142-P150 HydrophobicContact CG1-CG 4.2Å; V142-P150 WeakPolarHBondContact O-CD 3.21Å; V142-P150 WeakPolarHBondContact O-CG 3.14Å; P150-F152 VanDerWaalsContact C-N 3.31Å; P150-F152 HydrophobicContact CB-CD2 4.25Å; P150-F152 HydrophobicContact CB-CE2 3.92Å; P150-F152 HydrophobicContact CB-CZ 4.13Å; P150-F152 HydrophobicContact CG-CD2 3.93Å; P150-F152 HydrophobicContact CG-CE2 3.35Å; P150-F152 HydrophobicContact CG-CZ 3.87Å; P150-F152 PolarHBondContact O-N 3.23Å
151	I	63.6	Low	74.6	Confident	162 Å²	162	84.5 Å²	84.5	83%	0.831	47%	0.47	S	S	*	.			trans	-76.6	85.1	172.5	-54.7	177.6	0	0	0	108.8	P149 T153	P149-I151 PolarHBondContact O-N 2.98Å; I151-T153 PolarHBondContact O-N 3.3Å
152	F	63.2	Low	76.4	Confident	102 Å²	102	77.6 Å²	77.6	45%	0.447	43%	0.433	S	S	.	.			trans	-72.2	106.8	168.8	-68.4	-67.7	0	0	0	110.2	V142 P150 K154	V142-F152 HydrophobicContact CB-CZ 3.89Å; V142-F152 HydrophobicContact CG1-CZ 4.33Å; V142-F152 HydrophobicContact CG2-CE1 4.49Å; V142-F152 HydrophobicContact CG2-CZ 3.93Å; P150-F152 VanDerWaalsContact C-N 3.31Å; P150-F152 HydrophobicContact CB-CD2 4.25Å; P150-F152 HydrophobicContact CB-CE2 3.92Å; P150-F152 HydrophobicContact CB-CZ 4.13Å; P150-F152 HydrophobicContact CG-CD2 3.93Å; P150-F152 HydrophobicContact CG-CE2 3.35Å; P150-F152 HydrophobicContact CG-CZ 3.87Å; P150-F152 PolarHBondContact O-N 3.23Å; F152-K154 PolarHBondContact O-N 3.36Å; F152-K154 VanDerWaalsContact O-N 3.12Å
153	T	62.3	Low	77.8	Confident	127 Å²	127	74.1 Å²	74.1	78%	0.779	41%	0.413	S	S	*	.			trans	-63	110.1	162.8	40.4	0	0	0	0	108.7	I151 P155	I151-T153 PolarHBondContact O-N 3.3Å; T153-P155 WeakPolarHBondContact O-CD 3.44Å
154	K	64.9	Low	79	Confident	185 Å²	185	64.2 Å²	64.2	80%	0.804	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-59.7	124.9	177.2	-72.6	-172.6	175.6	-176.6	0	109.2	F152	F152-K154 PolarHBondContact O-N 3.36Å; F152-K154 VanDerWaalsContact O-N 3.12Å
155	P	71.6	Confident	80	Confident	60 Å²	60	62.3 Å²	62.3	39%	0.39	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-65.4	147.1	177.2	-17.5	30.5	0	0	0	110.8	Q132 A133 T153 K157	Q132-P155 HydrophobicContact CB-CB 4.15Å; Q132-P155 HydrophobicContact CB-CG 4.38Å; A133-P155 HydrophobicContact CB-CB 4.03Å; A133-P155 WeakPolarHBondContact CB-O 3.34Å; T153-P155 WeakPolarHBondContact O-CD 3.44Å; P155-K157 PolarHBondContact O-N 3.02Å
156	D	78.9	Confident	80.7	Confident	18 Å²	18	59.6 Å²	59.6	10%	0.096	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-63.4	121.5	179.4	-60.4	-59.7	0	0	0	111.2	R52 I58 A133 I158	R52-D156 IonicContact CZ-OD1 2.81Å; R52-D156 IonicContact CZ-OD2 3.09Å; R52-D156 IonicContact NE-OD1 3.59Å; R52-D156 IonicContact NE-OD2 2.68Å; R52-D156 VanDerWaalsContact NH1-CG 3.27Å; R52-D156 IonicContact NH1-OD1 3.3Å; R52-D156 PolarHBondContact NH1-OD1 2.88Å; R52-D156 IonicContact NH1-OD2 3.82Å; R52-D156 PolarHBondContact NH1-OD2 3.05Å; R52-D156 IonicContact NH2-OD1 2.7Å; R52-D156 PolarHBondContact NH2-OD1 3.17Å; R52-D156 IonicContact NH2-OD2 2.65Å; I58-D156 HydrophobicContact CG1-CB 4.39Å; I58-D156 HydrophobicContact CG2-CB 4.26Å; A133-D156 WeakPolarHBondContact CB-O 3.47Å; D156-I158 HydrophobicContact CB-CD1 4.32Å; D156-I158 PolarHBondContact O-N 3.38Å; D156-I158 VanDerWaalsContact O-N 3.14Å
157	K	87.3	Confident	81.5	Confident	75 Å²	75	53.2 Å²	53.2	33%	0.326	30%	0.304	S	S	.	.			trans	-75.9	102.1	176.6	-179.5	167.7	174.8	161.7	0	110	A133 L134 P155 V159 N447	A133-K157 HydrophobicContact CB-CB 4.14Å; L134-K157 HydrophobicContact CD2-CD 4.48Å; P155-K157 PolarHBondContact O-N 3.02Å; K157-V159 PolarHBondContact O-N 3.43Å; K157-N447 PolarHBondContact NZ-OD1 3.01Å
158	I	92.6	Very high	82.3	Confident	5 Å²	5	51.2 Å²	51.2	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	122.5	178.1	-54.4	-53.1	0	0	0	110.1	I58 R112 F130 D156 G160 V161	I58-I158 HydrophobicContact CB-CD1 4.23Å; I58-I158 HydrophobicContact CG2-CD1 3.61Å; R112-I158 HydrophobicContact CB-CD1 3.94Å; F130-I158 HydrophobicContact CB-CB 4.22Å; F130-I158 HydrophobicContact CB-CG1 3.79Å; F130-I158 HydrophobicContact CB-CG2 4.43Å; F130-I158 HydrophobicContact CD1-CD1 4.18Å; F130-I158 HydrophobicContact CD1-CG1 3.74Å; F130-I158 HydrophobicContact CG-CG1 4.06Å; D156-I158 HydrophobicContact CB-CD1 4.32Å; D156-I158 PolarHBondContact O-N 3.38Å; D156-I158 VanDerWaalsContact O-N 3.14Å; I158-G160 WeakPolarHBondContact CG2-O 3.44Å; I158-V161 HydrophobicContact CG2-CG2 3.95Å
159	V	94.5	Very high	83.2	Confident	19 Å²	19	47.1 Å²	47.1	12%	0.115	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-28.8	-178.3	167.2	0	0	0	0	112.6	I57 I58 K157 P183 L427 I448 L453	I57-V159 HydrophobicContact CG2-CB 3.96Å; I57-V159 HydrophobicContact CG2-CG1 4.18Å; I57-V159 HydrophobicContact CG2-CG2 4Å; I58-V159 PolarHBondContact O-N 3.35Å; K157-V159 PolarHBondContact O-N 3.43Å; V159-P183 WeakPolarHBondContact O-CD 3.03Å; V159-L427 HydrophobicContact CG1-CD2 4.09Å; V159-I448 HydrophobicContact CG1-CB 4.39Å; V159-I448 HydrophobicContact CG1-CD1 3.82Å; V159-I448 HydrophobicContact CG1-CG2 4.14Å; V159-I448 HydrophobicContact CG2-CD1 4.22Å; V159-L453 HydrophobicContact CG1-CD2 3.52Å
160	G	96.5	Very high	84.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	159.6	177.2	0	0	0	0	0	110.9	G60 I158 P183	G60-G160 PolarHBondContact N-O 3.09Å; I158-G160 WeakPolarHBondContact CG2-O 3.44Å; G160-P183 CarbonylContact C-O 3.56Å; G160-P183 VanDerWaalsContact CA-O 3.31Å; G160-P183 WeakPolarHBondContact CA-O 3.46Å
161	V	97.8	Very high	85.8	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.2	-175	179	0	0	0	0	111.7	G60 L62 F130 I158 L177 I182 P183 Q184 I185	G60-V161 CarbonylContact O-C 3.5Å; G60-V161 WeakPolarHBondContact O-CA 3.34Å; L62-V161 HydrophobicContact CD1-CG1 3.98Å; L62-V161 HydrophobicContact CG-CG1 4.11Å; F130-V161 HydrophobicContact CD2-CG2 3.86Å; F130-V161 HydrophobicContact CE2-CG1 3.98Å; F130-V161 HydrophobicContact CE2-CG2 4.02Å; I158-V161 HydrophobicContact CG2-CG2 3.95Å; V161-L177 HydrophobicContact CB-CD1 3.79Å; V161-L177 HydrophobicContact CG1-CD1 4.24Å; V161-L177 HydrophobicContact CG2-CD1 3.64Å; V161-L177 HydrophobicContact CG2-CD2 4.12Å; V161-I182 HydrophobicContact CG2-CG2 4.04Å; V161-P183 PolarHBondContact N-O 3.4Å; V161-Q184 HydrophobicContact CB-CG 4.46Å; V161-Q184 CarbonylContact O-C 3.6Å; V161-Q184 WeakPolarHBondContact O-CA 3.43Å; V161-I185 PolarHBondContact O-N 3.31Å
162	I	98.3	Very high	87.2	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	119.7	174.1	-54.9	-58.1	0	0	0	109.3	G60 L62 M90 I185 Y187 A419 V420 M423	G60-I162 PolarHBondContact O-N 2.78Å; L62-I162 PolarHBondContact N-O 2.86Å; M90-I162 HydrophobicContact CE-CB 4.24Å; M90-I162 HydrophobicContact CE-CG1 4.08Å; M90-I162 HydrophobicContact SD-CB 4.15Å; M90-I162 HydrophobicContact SD-CG2 4.44Å; I162-I185 WeakPolarHBondContact CA-O 3.34Å; I162-I185 HydrophobicContact CD1-CB 4.2Å; I162-Y187 HydrophobicContact CG2-CD1 4.03Å; I162-Y187 HydrophobicContact CG2-CE1 4.49Å; I162-A419 HydrophobicContact CD1-CB 4.36Å; I162-A419 HydrophobicContact CG2-CB 4.15Å; I162-V420 HydrophobicContact CG1-CG2 4.21Å; I162-V420 HydrophobicContact CG2-CG2 4.34Å; I162-M423 HydrophobicContact CD1-CB 4.34Å; I162-M423 HydrophobicContact CD1-CE 4.26Å
163	G	95.1	Very high	88.6	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.173	C	C	.	.			trans	114.7	-158.8	-174.4	0	0	0	0	0	113.3	Q184 I185 S186	G163-Q184 VanDerWaalsContact O-CG 3.26Å; G163-Q184 WeakPolarHBondContact O-CG 3.44Å; G163-Q184 PolarHBondContact O-NE2 3.36Å; G163-I185 PolarHBondContact N-O 2.84Å; G163-S186 WeakPolarHBondContact O-CA 3.45Å
164	A	93.8	Very high	90.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.			cis	-75.8	-177.5	-10.4	0	0	0	0	0	111.3	L62 T116 V169 S170 S186 S189	L62-A164 HydrophobicContact CB-CB 3.98Å; L62-A164 HydrophobicContact CD1-CB 4.19Å; T116-A164 HydrophobicContact CG2-CB 4.41Å; A164-V169 HydrophobicContact CB-CB 3.93Å; A164-V169 HydrophobicContact CB-CG1 3.39Å; A164-S170 PolarHBondContact N-OG 3.38Å; A164-S170 VanDerWaalsContact N-OG 3.16Å; A164-S170 PolarHBondContact O-OG 3.1Å; A164-S186 PolarHBondContact O-OG 3.48Å; A164-S189 PolarHBondContact O-OG 3Å
165	A	90.9	Very high	91.5	Very high	13 Å²	13	20 Å²	20	11%	0.107	12%	0.115	C	C	.	.	S	Bend	trans	-77.8	-57.9	176.9	0	0	0	0	0	113	P64 Y187 A188 S189	P64-A165 HydrophobicContact CG-CB 3.84Å; A165-Y187 HydrophobicContact CB-CE2 3.92Å; A165-A188 HydrophobicContact CB-CB 4.45Å; A165-A188 CarbonylContact O-C 3.53Å; A165-S189 PolarHBondContact O-N 3.11Å; A165-S189 PolarHBondContact O-OG 2.85Å
166	S	88.6	Confident	92.5	Very high	53 Å²	53	18.6 Å²	18.6	37%	0.371	10%	0.103	S	C	.	.	S	Bend	trans	-75	137	-178.1	177	0	0	0	0	111.7	S168 V169 S170 S189	S166-S168 VanDerWaalsContact C-N 3.29Å; S166-S168 PolarHBondContact O-N 2.95Å; S166-S168 PolarHBondContact OG-N 3Å; S166-S168 PolarHBondContact OG-OG 3.15Å; S166-S168 VanDerWaalsContact OG-OG 3.11Å; S166-V169 WeakPolarHBondContact O-CB 3.42Å; S166-V169 PolarHBondContact O-N 3.05Å; S166-V169 VanDerWaalsContact O-N 3.13Å; S166-S170 PolarHBondContact O-N 3.15Å; S166-S170 PolarHBondContact O-OG 3.05Å; S166-S189 VanDerWaalsContact C-OG 3.25Å; S166-S189 PolarHBondContact O-OG 3.01Å
167	S	91.9	Very high	93.2	Very high	6 Å²	6	17.8 Å²	17.8	4%	0.042	10%	0.099	C	C	.	.	H	α-helix	trans	-56.2	-39.6	175.2	-56.1	0	0	0	0	113.1	V169 S170 I171 S189 T190 A191	S167-V169 VanDerWaalsContact C-N 3.34Å; S167-V169 PolarHBondContact O-N 3.1Å; S167-S170 PolarHBondContact O-N 2.89Å; S167-I171 WeakPolarHBondContact O-CB 3.42Å; S167-I171 VanDerWaalsContact O-CG1 3.25Å; S167-I171 WeakPolarHBondContact O-CG1 3.29Å; S167-I171 PolarHBondContact O-N 2.82Å; S167-S189 PolarHBondContact N-OG 3.09Å; S167-T190 PolarHBondContact OG-N 2.89Å; S167-A191 PolarHBondContact OG-N 2.89Å
168	S	89.4	Confident	93.5	Very high	23 Å²	23	17.7 Å²	17.7	16%	0.161	10%	0.097	C	C	.	.	H	α-helix	trans	-65.3	-37.7	177.9	62	0	0	0	0	112.5	S166 M172	S166-S168 VanDerWaalsContact C-N 3.29Å; S166-S168 PolarHBondContact O-N 2.95Å; S166-S168 PolarHBondContact OG-N 3Å; S166-S168 PolarHBondContact OG-OG 3.15Å; S166-S168 VanDerWaalsContact OG-OG 3.11Å; S168-M172 WeakPolarHBondContact O-CG 3.26Å; S168-M172 PolarHBondContact O-N 3.33Å
169	V	91.2	Very high	93.5	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-67.7	-48.1	175	178.8	0	0	0	0	110	T116 D120 A123 A164 S166 S167 I171 M172 V173	T116-V169 HydrophobicContact CG2-CG1 4.13Å; D120-V169 HydrophobicContact CB-CG2 4.39Å; A123-V169 HydrophobicContact CB-CB 4.48Å; A123-V169 HydrophobicContact CB-CG1 3.35Å; A123-V169 HydrophobicContact CB-CG2 4.38Å; A164-V169 HydrophobicContact CB-CB 3.93Å; A164-V169 HydrophobicContact CB-CG1 3.39Å; S166-V169 WeakPolarHBondContact O-CB 3.42Å; S166-V169 PolarHBondContact O-N 3.05Å; S166-V169 VanDerWaalsContact O-N 3.13Å; S167-V169 VanDerWaalsContact C-N 3.34Å; S167-V169 PolarHBondContact O-N 3.1Å; V169-I171 VanDerWaalsContact C-N 3.32Å; V169-I171 PolarHBondContact O-N 2.84Å; V169-M172 PolarHBondContact O-N 2.89Å; V169-V173 HydrophobicContact CG1-CG2 4.13Å; V169-V173 WeakPolarHBondContact O-CB 3.38Å; V169-V173 WeakPolarHBondContact O-CG2 3.45Å; V169-V173 PolarHBondContact O-N 3.14Å
170	S	95	Very high	93.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-38.3	179.6	-68.9	0	0	0	0	112.6	A164 S166 S167 A174 S189	A164-S170 PolarHBondContact N-OG 3.38Å; A164-S170 VanDerWaalsContact N-OG 3.16Å; A164-S170 PolarHBondContact O-OG 3.1Å; S166-S170 PolarHBondContact O-N 3.15Å; S166-S170 PolarHBondContact O-OG 3.05Å; S167-S170 PolarHBondContact O-N 2.89Å; S170-A174 WeakPolarHBondContact O-CB 3.38Å; S170-A174 PolarHBondContact O-N 2.86Å; S170-S189 WeakPolarHBondContact CB-OG 3.21Å; S170-S189 PolarHBondContact OG-OG 3.17Å
171	I	93.9	Very high	93.3	Very high	9 Å²	9	30.9 Å²	30.9	5%	0.046	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-47.9	173.4	-74	165.8	0	0	0	111.2	S167 V169 N175 L194 Y200 N237	S167-I171 WeakPolarHBondContact O-CB 3.42Å; S167-I171 VanDerWaalsContact O-CG1 3.25Å; S167-I171 WeakPolarHBondContact O-CG1 3.29Å; S167-I171 PolarHBondContact O-N 2.82Å; V169-I171 VanDerWaalsContact C-N 3.32Å; V169-I171 PolarHBondContact O-N 2.84Å; I171-N175 PolarHBondContact O-N 3.42Å; I171-N175 PolarHBondContact O-ND2 3.47Å; I171-L194 HydrophobicContact CD1-CG 4.48Å; I171-L194 HydrophobicContact CG1-CD1 4.23Å; I171-L194 HydrophobicContact CG1-CD2 3.65Å; I171-L194 HydrophobicContact CG1-CG 3.84Å; I171-Y200 HydrophobicContact CG2-CE1 4.3Å; I171-Y200 WeakPolarHBondContact CG2-OH 3.36Å; I171-N237 HydrophobicContact CD1-CB 3.71Å
172	M	92.8	Very high	93.2	Very high	72 Å²	72	31.2 Å²	31.2	36%	0.355	16%	0.16	S	C	.	.	H	α-helix	trans	-64.5	-43.7	178.7	-72.7	-65.6	101	0	0	112.4	D120 L124 S168 V169	D120-M172 HydrophobicContact CB-CG 4.13Å; L124-M172 HydrophobicContact CD1-CB 4.18Å; L124-M172 VanDerWaalsContact CD1-O 3.29Å; L124-M172 WeakPolarHBondContact CD1-O 3.26Å; S168-M172 WeakPolarHBondContact O-CG 3.26Å; S168-M172 PolarHBondContact O-N 3.33Å; V169-M172 PolarHBondContact O-N 2.89Å
173	V	93.8	Very high	93.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69	-43.9	-179.2	172.1	0	0	0	0	111.9	L62 S127 V169 N175 I176 L177	L62-V173 HydrophobicContact CD1-CB 4.39Å; L62-V173 HydrophobicContact CD1-CG1 3.8Å; L62-V173 HydrophobicContact CD1-CG2 3.98Å; S127-V173 WeakPolarHBondContact OG-CG2 3.21Å; V169-V173 HydrophobicContact CG1-CG2 4.13Å; V169-V173 WeakPolarHBondContact O-CB 3.38Å; V169-V173 WeakPolarHBondContact O-CG2 3.45Å; V169-V173 PolarHBondContact O-N 3.14Å; V173-N175 PolarHBondContact O-N 2.83Å; V173-I176 PolarHBondContact O-N 2.66Å; V173-L177 HydrophobicContact CG1-CD1 3.58Å; V173-L177 HydrophobicContact CG1-CG 3.86Å; V173-L177 PolarHBondContact O-N 3.49Å
174	A	94.9	Very high	93.3	Very high	5 Å²	5	31.4 Å²	31.4	4%	0.041	16%	0.161	C	C	.	.	H	α-helix	trans	-58.7	-36	179.2	0	0	0	0	0	112.3	S170 I176 L177 R178 Y200	S170-A174 WeakPolarHBondContact O-CB 3.38Å; S170-A174 PolarHBondContact O-N 2.86Å; A174-I176 VanDerWaalsContact C-N 3.25Å; A174-I176 PolarHBondContact O-N 2.91Å; A174-L177 PolarHBondContact O-N 3.47Å; A174-R178 WeakPolarHBondContact O-CB 3.38Å; A174-R178 WeakPolarHBondContact O-CG 3.4Å; A174-R178 PolarHBondContact O-N 3.23Å; A174-Y200 HydrophobicContact CB-CD1 4Å
175	N	92.7	Very high	93.5	Very high	61 Å²	61	31.4 Å²	31.4	33%	0.326	16%	0.161	S	C	.	.	H	α-helix	trans	-61.8	-27.6	175.8	-74.5	-35	0	0	0	113.6	I171 V173	I171-N175 PolarHBondContact O-N 3.42Å; I171-N175 PolarHBondContact O-ND2 3.47Å; V173-N175 PolarHBondContact O-N 2.83Å
176	I	92	Very high	93.8	Very high	30 Å²	30	30.8 Å²	30.8	15%	0.154	16%	0.156	C	C	.	.	H	α-helix	trans	-86.2	-49.9	171.2	-65.1	-167	0	0	0	110.6	L124 L128 V131 V173 A174 R178 L179 F180	L124-I176 HydrophobicContact CD1-CD1 3.36Å; L124-I176 HydrophobicContact CD1-CG1 3.76Å; L124-I176 HydrophobicContact CG-CD1 4.06Å; L128-I176 HydrophobicContact CD2-CD1 3.66Å; L128-I176 HydrophobicContact CG-CD1 4.36Å; V131-I176 HydrophobicContact CG1-CG2 4.41Å; V173-I176 PolarHBondContact O-N 2.66Å; A174-I176 VanDerWaalsContact C-N 3.25Å; A174-I176 PolarHBondContact O-N 2.91Å; I176-R178 PolarHBondContact O-N 2.94Å; I176-L179 WeakPolarHBondContact O-CB 3.27Å; I176-L179 PolarHBondContact O-N 3.44Å; I176-F180 HydrophobicContact CG2-CD2 4.26Å; I176-F180 HydrophobicContact CG2-CE2 4.23Å
177	L	93.9	Very high	94.1	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-58.8	-35.4	-173.2	-66.4	-176.7	0	0	0	112.7	V131 V161 V173 A174 L179 F180 K181 I182 Q184	V131-L177 HydrophobicContact CG1-CD2 4.49Å; V161-L177 HydrophobicContact CB-CD1 3.79Å; V161-L177 HydrophobicContact CG1-CD1 4.24Å; V161-L177 HydrophobicContact CG2-CD1 3.64Å; V161-L177 HydrophobicContact CG2-CD2 4.12Å; V173-L177 HydrophobicContact CG1-CD1 3.58Å; V173-L177 HydrophobicContact CG1-CG 3.86Å; V173-L177 PolarHBondContact O-N 3.49Å; A174-L177 PolarHBondContact O-N 3.47Å; L177-L179 VanDerWaalsContact C-N 3.3Å; L177-L179 PolarHBondContact O-N 3.26Å; L177-F180 CarbonylContact O-C 3.48Å; L177-F180 PolarHBondContact O-N 2.89Å; L177-K181 PolarHBondContact O-N 2.73Å; L177-I182 HydrophobicContact CB-CB 4.21Å; L177-I182 HydrophobicContact CD2-CB 4.11Å; L177-I182 HydrophobicContact CD2-CD1 4.13Å; L177-I182 HydrophobicContact CD2-CG2 4.26Å; L177-I182 PolarHBondContact O-N 3.17Å; L177-Q184 HydrophobicContact CD1-CB 4.02Å; L177-Q184 HydrophobicContact CD1-CG 4.23Å
178	R	93.8	Very high	94.2	Very high	73 Å²	73	28.5 Å²	28.5	28%	0.275	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-61.5	-32.6	175.9	72.8	-179.9	-59.3	-145.9	-6.3	114.2	A174 I176 F180 K181 R199 D201 F202	A174-R178 WeakPolarHBondContact O-CB 3.38Å; A174-R178 WeakPolarHBondContact O-CG 3.4Å; A174-R178 PolarHBondContact O-N 3.23Å; I176-R178 PolarHBondContact O-N 2.94Å; R178-F180 VanDerWaalsContact C-N 3.25Å; R178-F180 PolarHBondContact O-N 3.45Å; R178-K181 PolarHBondContact O-N 2.64Å; R178-K181 VanDerWaalsContact O-N 3.13Å; R178-R199 WeakPolarHBondContact CD-O 3.2Å; R178-R199 VanDerWaalsContact CZ-O 3.23Å; R178-R199 PolarHBondContact NE-O 2.93Å; R178-R199 PolarHBondContact NH1-O 2.88Å; R178-D201 WeakPolarHBondContact CB-OD1 3.35Å; R178-D201 IonicContact CZ-OD1 3.85Å; R178-D201 IonicContact CZ-OD2 2.69Å; R178-D201 IonicContact NE-OD1 3.75Å; R178-D201 PolarHBondContact NE-OD1 3.12Å; R178-D201 IonicContact NE-OD2 3.58Å; R178-D201 VanDerWaalsContact NH2-CG 3.33Å; R178-D201 IonicContact NH2-OD1 3.15Å; R178-D201 PolarHBondContact NH2-OD1 3.37Å; R178-D201 IonicContact NH2-OD2 2.68Å; R178-D201 PolarHBondContact NH2-OD2 2.87Å; R178-F202 HydrophobicContact CB-CB 4.32Å; R178-F202 HydrophobicContact CB-CD2 3.93Å
179	L	92.6	Very high	94.4	Very high	134 Å²	134	27.4 Å²	27.4	70%	0.702	13%	0.133	S	C	*	.	G	3₁₀ helix	trans	-66	-33.1	178.4	-57.7	175.5	0	0	0	111.5	I176 L177	I176-L179 WeakPolarHBondContact O-CB 3.27Å; I176-L179 PolarHBondContact O-N 3.44Å; L177-L179 VanDerWaalsContact C-N 3.3Å; L177-L179 PolarHBondContact O-N 3.26Å
180	F	92.3	Very high	94.5	Very high	68 Å²	68	27.4 Å²	27.4	30%	0.298	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-97.1	9.2	176.7	-63.8	-88.5	0	0	0	112.8	V131 L134 I135 I176 L177 R178 I182	V131-F180 HydrophobicContact CB-CD1 4.06Å; V131-F180 HydrophobicContact CB-CD2 3.88Å; V131-F180 HydrophobicContact CB-CE1 4.1Å; V131-F180 HydrophobicContact CB-CE2 3.91Å; V131-F180 HydrophobicContact CB-CG 3.95Å; V131-F180 HydrophobicContact CB-CZ 4.02Å; V131-F180 HydrophobicContact CG1-CB 3.98Å; V131-F180 HydrophobicContact CG1-CD1 4.23Å; V131-F180 HydrophobicContact CG1-CD2 3.46Å; V131-F180 VanDerWaalsContact CG1-CD2 3.46Å; V131-F180 HydrophobicContact CG1-CE2 3.96Å; V131-F180 HydrophobicContact CG1-CG 3.61Å; V131-F180 HydrophobicContact CG2-CD2 4.29Å; V131-F180 HydrophobicContact CG2-CE2 3.9Å; V131-F180 HydrophobicContact CG2-CZ 4.05Å; L134-F180 HydrophobicContact CB-CD1 3.91Å; L134-F180 HydrophobicContact CB-CE1 4.36Å; L134-F180 HydrophobicContact CD1-CB 3.91Å; L134-F180 HydrophobicContact CD1-CD1 4.07Å; L134-F180 HydrophobicContact CD1-CG 4.39Å; I135-F180 HydrophobicContact CD1-CE1 4.48Å; I135-F180 HydrophobicContact CD1-CZ 4.18Å; I135-F180 HydrophobicContact CG1-CE1 3.9Å; I135-F180 HydrophobicContact CG1-CZ 4.05Å; I176-F180 HydrophobicContact CG2-CD2 4.26Å; I176-F180 HydrophobicContact CG2-CE2 4.23Å; L177-F180 CarbonylContact O-C 3.48Å; L177-F180 PolarHBondContact O-N 2.89Å; R178-F180 VanDerWaalsContact C-N 3.25Å; R178-F180 PolarHBondContact O-N 3.45Å; F180-I182 HydrophobicContact CB-CD1 4.23Å; F180-I182 HydrophobicContact CB-CG1 4.11Å; F180-I182 PolarHBondContact O-N 2.8Å
181	K	94.4	Very high	94.4	Very high	100 Å²	100	27.4 Å²	27.4	44%	0.435	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	22.9	-176.5	-53.2	179.1	-177	174.3	0	115.5	L177 R178 P183 F202 D449 G450	L177-K181 PolarHBondContact O-N 2.73Å; R178-K181 PolarHBondContact O-N 2.64Å; R178-K181 VanDerWaalsContact O-N 3.13Å; K181-P183 VanDerWaalsContact O-CD 3.32Å; K181-P183 WeakPolarHBondContact O-CD 3.41Å; K181-F202 HydrophobicContact CB-CD1 4.47Å; K181-F202 HydrophobicContact CB-CE1 3.68Å; K181-F202 HydrophobicContact CB-CE2 4.3Å; K181-F202 HydrophobicContact CB-CZ 3.58Å; K181-F202 HydrophobicContact CG-CE1 4.45Å; K181-F202 HydrophobicContact CG-CE2 4.37Å; K181-F202 HydrophobicContact CG-CZ 3.86Å; K181-F202 VanDerWaalsContact O-CD1 3.28Å; K181-F202 WeakPolarHBondContact O-CD1 3.38Å; K181-F202 WeakPolarHBondContact O-CE1 3.5Å; K181-D449 IonicContact NZ-OD1 2.67Å; K181-D449 IonicContact NZ-OD2 2.63Å; K181-G450 CarbonylContact O-C 3.56Å; K181-G450 VanDerWaalsContact O-CA 3.29Å; K181-G450 WeakPolarHBondContact O-CA 3.42Å
182	I	96.1	Very high	94.3	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.031	14%	0.14	C	C	.	.			trans	-81.1	117.8	-177.5	-58	179.4	0	0	0	109.2	V131 L134 V161 L177 F180	V131-I182 HydrophobicContact CG1-CD1 3.91Å; L134-I182 HydrophobicContact CD1-CD1 3.98Å; L134-I182 HydrophobicContact CD1-CG1 4.31Å; V161-I182 HydrophobicContact CG2-CG2 4.04Å; L177-I182 HydrophobicContact CB-CB 4.21Å; L177-I182 HydrophobicContact CD2-CB 4.11Å; L177-I182 HydrophobicContact CD2-CD1 4.13Å; L177-I182 HydrophobicContact CD2-CG2 4.26Å; L177-I182 PolarHBondContact O-N 3.17Å; F180-I182 HydrophobicContact CB-CD1 4.23Å; F180-I182 HydrophobicContact CB-CG1 4.11Å; F180-I182 PolarHBondContact O-N 2.8Å
183	P	97.3	Very high	94.2	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	14%	0.136	C	C	.	.			trans	-69.7	141.6	177.6	28.1	-34.4	0	0	0	112.1	V159 G160 V161 K181 F202 L453 L454 I457	V159-P183 WeakPolarHBondContact O-CD 3.03Å; G160-P183 CarbonylContact C-O 3.56Å; G160-P183 VanDerWaalsContact CA-O 3.31Å; G160-P183 WeakPolarHBondContact CA-O 3.46Å; V161-P183 PolarHBondContact N-O 3.4Å; K181-P183 VanDerWaalsContact O-CD 3.32Å; K181-P183 WeakPolarHBondContact O-CD 3.41Å; P183-F202 WeakPolarHBondContact CA-O 3.21Å; P183-L453 HydrophobicContact CG-CD2 3.89Å; P183-L453 HydrophobicContact CG-CG 4.16Å; P183-L454 HydrophobicContact CB-CB 4.45Å; P183-L454 HydrophobicContact CB-CD1 4.29Å; P183-I457 HydrophobicContact CB-CD1 3.72Å; P183-I457 HydrophobicContact CG-CD1 3.86Å
184	Q	97.6	Very high	94.2	Very high	3 Å²	3	27.8 Å²	27.8	1%	0.014	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.2	-178.1	-176.4	-175.6	-21.1	0	0	110.8	V161 G163 L177 F202 F203 S204	V161-Q184 HydrophobicContact CB-CG 4.46Å; V161-Q184 CarbonylContact O-C 3.6Å; V161-Q184 WeakPolarHBondContact O-CA 3.43Å; G163-Q184 VanDerWaalsContact O-CG 3.26Å; G163-Q184 WeakPolarHBondContact O-CG 3.44Å; G163-Q184 PolarHBondContact O-NE2 3.36Å; L177-Q184 HydrophobicContact CD1-CB 4.02Å; L177-Q184 HydrophobicContact CD1-CG 4.23Å; Q184-F202 PolarHBondContact N-O 3.14Å; Q184-F203 HydrophobicContact CB-CD2 4.38Å; Q184-F203 HydrophobicContact CG-CD2 4.21Å; Q184-F203 HydrophobicContact CG-CE2 4.44Å; Q184-F203 CarbonylContact O-C 3.58Å; Q184-S204 PolarHBondContact O-N 3.07Å
185	I	98.2	Very high	94.2	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	108.4	174.3	-51.1	-179	0	0	0	109.7	V161 I162 G163 S204 V206 A419 A422 M423 I457 F472	V161-I185 PolarHBondContact O-N 3.31Å; I162-I185 WeakPolarHBondContact CA-O 3.34Å; I162-I185 HydrophobicContact CD1-CB 4.2Å; G163-I185 PolarHBondContact N-O 2.84Å; I185-S204 CarbonylContact C-O 3.58Å; I185-S204 VanDerWaalsContact CA-O 3.31Å; I185-S204 WeakPolarHBondContact CA-O 3.45Å; I185-V206 HydrophobicContact CG2-CG1 4.08Å; I185-A419 HydrophobicContact CB-CB 4.46Å; I185-A419 HydrophobicContact CG2-CB 3.76Å; I185-A422 HydrophobicContact CD1-CB 4.2Å; I185-M423 HydrophobicContact CD1-CB 4.36Å; I185-M423 HydrophobicContact CD1-CE 3.83Å; I185-M423 HydrophobicContact CG1-CE 4.04Å; I185-I457 HydrophobicContact CD1-CD1 4.24Å; I185-I457 HydrophobicContact CD1-CG1 4.37Å; I185-I457 HydrophobicContact CD1-CG2 3.76Å; I185-I457 HydrophobicContact CG1-CG2 4.22Å; I185-F472 HydrophobicContact CG2-CZ 4.37Å
186	S	97.6	Very high	94.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	141.1	174.5	-176.6	0	0	0	0	112.7	G163 A164 A188 S189 S204 R205 V206	G163-S186 WeakPolarHBondContact O-CA 3.45Å; A164-S186 PolarHBondContact O-OG 3.48Å; S186-A188 PolarHBondContact OG-N 3.35Å; S186-S189 VanDerWaalsContact OG-CB 3.31Å; S186-S189 WeakPolarHBondContact OG-CB 3.45Å; S186-S189 PolarHBondContact OG-N 3.16Å; S186-S189 PolarHBondContact OG-OG 3.19Å; S186-S204 PolarHBondContact N-O 2.66Å; S186-R205 VanDerWaalsContact O-CA 3.25Å; S186-R205 WeakPolarHBondContact O-CA 3.17Å; S186-R205 WeakPolarHBondContact O-CB 3.48Å; S186-V206 PolarHBondContact O-N 2.91Å; S186-V206 VanDerWaalsContact O-N 3.11Å
187	Y	95.3	Very high	94.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-97.9	-2	174.4	56.9	-99	0	0	0	113.5	L62 F63 I162 A165 V207 F415 V416	L62-Y187 PolarHBondContact O-OH 3.02Å; F63-Y187 HydrophobicContact CD1-CE1 4.01Å; F63-Y187 AromaticContact CD1-CZ 3.67Å; F63-Y187 WeakPolarHBondContact CD1-OH 3.29Å; F63-Y187 HydrophobicContact CE1-CD1 4.38Å; F63-Y187 AromaticContact CE1-CE1 3.57Å; F63-Y187 HydrophobicContact CE1-CE1 3.57Å; F63-Y187 AromaticContact CE1-CZ 3.67Å; F63-Y187 HydrophobicContact CZ-CE1 4.17Å; I162-Y187 HydrophobicContact CG2-CD1 4.03Å; I162-Y187 HydrophobicContact CG2-CE1 4.49Å; A165-Y187 HydrophobicContact CB-CE2 3.92Å; Y187-V207 WeakPolarHBondContact O-CG1 3.18Å; Y187-F415 WeakPolarHBondContact CB-O 3.33Å; Y187-F415 WeakPolarHBondContact O-CB 3.29Å; Y187-V416 HydrophobicContact CD1-CG2 3.95Å; Y187-V416 HydrophobicContact CD2-CG2 3.63Å; Y187-V416 HydrophobicContact CE1-CG2 4.37Å; Y187-V416 HydrophobicContact CE2-CG2 4.12Å; Y187-V416 HydrophobicContact CG-CB 4.48Å; Y187-V416 HydrophobicContact CG-CG2 3.57Å
188	A	93	Very high	94.1	Very high	10 Å²	10	33.7 Å²	33.7	8%	0.083	18%	0.176	C	C	.	.	S	Bend	trans	-156.1	-8.2	-174.4	0	0	0	0	0	117.5	A165 S186 T190 K412	A165-A188 HydrophobicContact CB-CB 4.45Å; A165-A188 CarbonylContact O-C 3.53Å; S186-A188 PolarHBondContact OG-N 3.35Å; A188-T190 PolarHBondContact O-N 2.88Å; A188-K412 HydrophobicContact CB-CD 3.63Å
189	S	93.3	Very high	94.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.			trans	-85.6	107.3	-178.2	-63	0	0	0	0	112	A164 A165 S166 S167 S170 S186 R205	A164-S189 PolarHBondContact O-OG 3Å; A165-S189 PolarHBondContact O-N 3.11Å; A165-S189 PolarHBondContact O-OG 2.85Å; S166-S189 VanDerWaalsContact C-OG 3.25Å; S166-S189 PolarHBondContact O-OG 3.01Å; S167-S189 PolarHBondContact N-OG 3.09Å; S170-S189 WeakPolarHBondContact CB-OG 3.21Å; S170-S189 PolarHBondContact OG-OG 3.17Å; S186-S189 VanDerWaalsContact OG-CB 3.31Å; S186-S189 WeakPolarHBondContact OG-CB 3.45Å; S186-S189 PolarHBondContact OG-N 3.16Å; S186-S189 PolarHBondContact OG-OG 3.19Å; S189-R205 WeakPolarHBondContact O-CD 3.36Å; S189-R205 PolarHBondContact O-NH1 3Å
190	T	93.8	Very high	94.2	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.012	15%	0.149	C	C	.	.			trans	-102.7	-4.2	-168.2	52.3	0	0	0	0	115	S167 A188 R205 V207 P208 P209 D210 Y238	S167-T190 PolarHBondContact OG-N 2.89Å; A188-T190 PolarHBondContact O-N 2.88Å; T190-R205 PolarHBondContact O-NH1 2.78Å; T190-V207 HydrophobicContact CG2-CB 4.39Å; T190-V207 HydrophobicContact CG2-CG2 3.93Å; T190-P208 WeakPolarHBondContact CG2-O 3.27Å; T190-P209 CarbonylContact O-C 3.5Å; T190-P209 VanDerWaalsContact O-CA 3.24Å; T190-P209 WeakPolarHBondContact O-CA 3.43Å; T190-D210 VanDerWaalsContact CB-CG 3.47Å; T190-D210 WeakPolarHBondContact CB-OD1 3.41Å; T190-D210 WeakPolarHBondContact CB-OD2 3.35Å; T190-D210 PolarHBondContact O-N 2.99Å; T190-D210 VanDerWaalsContact O-OD2 3.07Å; T190-D210 PolarHBondContact OG1-OD1 3.38Å; T190-D210 PolarHBondContact OG1-OD2 2.84Å; T190-Y238 WeakPolarHBondContact OG1-CD2 3.32Å; T190-Y238 WeakPolarHBondContact OG1-CE2 3.4Å
191	A	92.3	Very high	94.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.			trans	-53.4	136.6	-174.9	0	0	0	0	0	113.2	S167 E193 L194 R205 D210 N237	S167-A191 PolarHBondContact OG-N 2.89Å; A191-E193 VanDerWaalsContact C-N 3.31Å; A191-E193 PolarHBondContact O-N 3.36Å; A191-L194 HydrophobicContact CB-CD1 4.34Å; A191-L194 PolarHBondContact O-N 3.11Å; A191-R205 PolarHBondContact O-NH1 3.27Å; A191-R205 PolarHBondContact O-NH2 2.97Å; A191-D210 WeakPolarHBondContact CA-OD2 3.38Å; A191-D210 PolarHBondContact N-OD2 2.88Å; A191-N237 WeakPolarHBondContact CB-O 3.46Å
192	P	92.6	Very high	94.4	Very high	32 Å²	32	24.5 Å²	24.5	21%	0.208	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-63.8	-33.8	-176.1	-22.8	35	0	0	0	113.4	L194 S195 D210	P192-L194 PolarHBondContact O-N 3.01Å; P192-L194 VanDerWaalsContact O-N 3.08Å; P192-S195 WeakPolarHBondContact O-CB 3.25Å; P192-S195 PolarHBondContact O-N 3.01Å; P192-D210 HydrophobicContact CG-CB 4.09Å
193	E	91.3	Very high	94.4	Very high	55 Å²	55	24.3 Å²	24.3	26%	0.257	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-54.5	-29.6	179.2	-65.1	170.1	-110.5	0	0	113.7	A191 S195 D196 Y200 N237 S241	A191-E193 VanDerWaalsContact C-N 3.31Å; A191-E193 PolarHBondContact O-N 3.36Å; E193-S195 PolarHBondContact O-N 2.9Å; E193-D196 WeakPolarHBondContact O-CB 3.47Å; E193-D196 PolarHBondContact O-N 3.47Å; E193-Y200 VanDerWaalsContact O-CD2 3.22Å; E193-Y200 WeakPolarHBondContact O-CD2 3.3Å; E193-Y200 VanDerWaalsContact O-CE2 3.24Å; E193-Y200 WeakPolarHBondContact O-CE2 3.34Å; E193-N237 WeakPolarHBondContact OE1-CB 3.35Å; E193-N237 PolarHBondContact OE1-ND2 2.86Å; E193-N237 PolarHBondContact OE2-ND2 2.75Å; E193-S241 PolarHBondContact OE1-OG 3.06Å
194	L	94.2	Very high	94.5	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-71.6	-10.4	-180	-75.8	165.6	0	0	0	113.8	I171 A191 P192 D196 Y200 F203	I171-L194 HydrophobicContact CD1-CG 4.48Å; I171-L194 HydrophobicContact CG1-CD1 4.23Å; I171-L194 HydrophobicContact CG1-CD2 3.65Å; I171-L194 HydrophobicContact CG1-CG 3.84Å; A191-L194 HydrophobicContact CB-CD1 4.34Å; A191-L194 PolarHBondContact O-N 3.11Å; P192-L194 PolarHBondContact O-N 3.01Å; P192-L194 VanDerWaalsContact O-N 3.08Å; L194-D196 VanDerWaalsContact C-N 3.3Å; L194-Y200 HydrophobicContact CD2-CD1 4.26Å; L194-Y200 HydrophobicContact CD2-CD2 4.3Å; L194-Y200 HydrophobicContact CD2-CE1 4.49Å; L194-Y200 HydrophobicContact CD2-CG 4.15Å; L194-F203 HydrophobicContact CB-CD1 3.93Å; L194-F203 HydrophobicContact CB-CE1 3.69Å; L194-F203 HydrophobicContact CB-CZ 4.29Å; L194-F203 HydrophobicContact CD1-CE1 4.12Å; L194-F203 HydrophobicContact CD1-CE2 4.4Å; L194-F203 HydrophobicContact CD1-CZ 3.85Å; L194-F203 HydrophobicContact CD2-CD1 4.24Å; L194-F203 HydrophobicContact CD2-CD2 4.21Å; L194-F203 HydrophobicContact CD2-CE1 4.25Å; L194-F203 HydrophobicContact CD2-CE2 4.22Å; L194-F203 HydrophobicContact CD2-CG 4.22Å; L194-F203 HydrophobicContact CD2-CZ 4.24Å; L194-F203 HydrophobicContact CG-CE1 4.24Å; L194-F203 HydrophobicContact CG-CZ 4.36Å
195	S	94.3	Very high	94.4	Very high	19 Å²	19	24.1 Å²	24.1	13%	0.133	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-80.6	-7.2	171.1	-61.9	0	0	0	0	113.1	P192 E193 N197 R205 D477	P192-S195 WeakPolarHBondContact O-CB 3.25Å; P192-S195 PolarHBondContact O-N 3.01Å; E193-S195 PolarHBondContact O-N 2.9Å; S195-N197 PolarHBondContact O-N 2.9Å; S195-R205 PolarHBondContact OG-NH2 2.92Å; S195-D477 WeakPolarHBondContact CB-OD2 3.32Å; S195-D477 PolarHBondContact OG-OD1 3.2Å; S195-D477 VanDerWaalsContact OG-OD1 3.04Å; S195-D477 PolarHBondContact OG-OD2 2.67Å
196	D	94.3	Very high	94.3	Very high	60 Å²	60	24.6 Å²	24.6	32%	0.321	13%	0.132	S	C	.	.			trans	-74.5	92.6	179.2	-178.9	0.6	0	0	0	111.4	E193 L194 S198 R199 Y200	E193-D196 WeakPolarHBondContact O-CB 3.47Å; E193-D196 PolarHBondContact O-N 3.47Å; L194-D196 VanDerWaalsContact C-N 3.3Å; D196-S198 VanDerWaalsContact CG-OG 3.3Å; D196-S198 PolarHBondContact O-N 3.39Å; D196-S198 WeakPolarHBondContact OD1-CA 3.29Å; D196-S198 VanDerWaalsContact OD1-CB 3.28Å; D196-S198 WeakPolarHBondContact OD1-CB 3.43Å; D196-S198 PolarHBondContact OD1-N 2.75Å; D196-S198 PolarHBondContact OD1-OG 2.73Å; D196-S198 PolarHBondContact OD2-OG 2.9Å; D196-R199 HydrophobicContact CB-CB 4.44Å; D196-R199 PolarHBondContact O-N 3.32Å; D196-R199 WeakPolarHBondContact OD2-CD 3.46Å; D196-R199 VanDerWaalsContact OD2-CG 3.27Å; D196-R199 WeakPolarHBondContact OD2-CG 3.34Å; D196-Y200 HydrophobicContact CB-CD2 4.45Å; D196-Y200 PolarHBondContact O-N 2.82Å
197	N	90.7	Very high	94.1	Very high	55 Å²	55	24.6 Å²	24.6	29%	0.294	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-19.2	174.2	-90.3	-31.7	0	0	0	114.6	S195 R458 E474 N475	S195-N197 PolarHBondContact O-N 2.9Å; N197-R458 VanDerWaalsContact OD1-CZ 3.31Å; N197-R458 PolarHBondContact OD1-NH1 3.29Å; N197-R458 PolarHBondContact OD1-NH2 3Å; N197-E474 PolarHBondContact ND2-O 3.26Å; N197-N475 PolarHBondContact ND2-OD1 3.38Å
198	S	92.3	Very high	94	Very high	86 Å²	86	25 Å²	25	60%	0.601	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-25.6	175.8	77.8	0	0	0	0	112.7	D196	D196-S198 VanDerWaalsContact CG-OG 3.3Å; D196-S198 PolarHBondContact O-N 3.39Å; D196-S198 WeakPolarHBondContact OD1-CA 3.29Å; D196-S198 VanDerWaalsContact OD1-CB 3.28Å; D196-S198 WeakPolarHBondContact OD1-CB 3.43Å; D196-S198 PolarHBondContact OD1-N 2.75Å; D196-S198 PolarHBondContact OD1-OG 2.73Å; D196-S198 PolarHBondContact OD2-OG 2.9Å
199	R	92.9	Very high	94.1	Very high	110 Å²	110	24.6 Å²	24.6	42%	0.415	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-31.9	-177.6	-68.7	178.4	64.9	-161.7	-2.5	113.6	R178 D196	R178-R199 WeakPolarHBondContact CD-O 3.2Å; R178-R199 VanDerWaalsContact CZ-O 3.23Å; R178-R199 PolarHBondContact NE-O 2.93Å; R178-R199 PolarHBondContact NH1-O 2.88Å; D196-R199 HydrophobicContact CB-CB 4.44Å; D196-R199 PolarHBondContact O-N 3.32Å; D196-R199 WeakPolarHBondContact OD2-CD 3.46Å; D196-R199 VanDerWaalsContact OD2-CG 3.27Å; D196-R199 WeakPolarHBondContact OD2-CG 3.34Å
200	Y	94.8	Very high	94.1	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.008	13%	0.131	C	C	.	.			trans	-129.8	45	-173.3	-50.9	-68.4	0	0	0	111.3	I171 A174 E193 L194 D196 F202 F203	I171-Y200 HydrophobicContact CG2-CE1 4.3Å; I171-Y200 WeakPolarHBondContact CG2-OH 3.36Å; A174-Y200 HydrophobicContact CB-CD1 4Å; E193-Y200 VanDerWaalsContact O-CD2 3.22Å; E193-Y200 WeakPolarHBondContact O-CD2 3.3Å; E193-Y200 VanDerWaalsContact O-CE2 3.24Å; E193-Y200 WeakPolarHBondContact O-CE2 3.34Å; L194-Y200 HydrophobicContact CD2-CD1 4.26Å; L194-Y200 HydrophobicContact CD2-CD2 4.3Å; L194-Y200 HydrophobicContact CD2-CE1 4.49Å; L194-Y200 HydrophobicContact CD2-CG 4.15Å; D196-Y200 HydrophobicContact CB-CD2 4.45Å; D196-Y200 PolarHBondContact O-N 2.82Å; Y200-F202 PolarHBondContact O-N 3.22Å; Y200-F202 VanDerWaalsContact O-N 3.15Å; Y200-F203 WeakPolarHBondContact O-CB 3.5Å; Y200-F203 PolarHBondContact O-N 2.82Å
201	D	94	Very high	94.1	Very high	49 Å²	49	26.6 Å²	26.6	26%	0.262	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.7	-40.4	177.2	46.2	-2.7	0	0	0	114.4	R178 L454 R458	R178-D201 WeakPolarHBondContact CB-OD1 3.35Å; R178-D201 IonicContact CZ-OD1 3.85Å; R178-D201 IonicContact CZ-OD2 2.69Å; R178-D201 IonicContact NE-OD1 3.75Å; R178-D201 PolarHBondContact NE-OD1 3.12Å; R178-D201 IonicContact NE-OD2 3.58Å; R178-D201 VanDerWaalsContact NH2-CG 3.33Å; R178-D201 IonicContact NH2-OD1 3.15Å; R178-D201 PolarHBondContact NH2-OD1 3.37Å; R178-D201 IonicContact NH2-OD2 2.68Å; R178-D201 PolarHBondContact NH2-OD2 2.87Å; D201-L454 VanDerWaalsContact O-CD2 3.29Å; D201-L454 WeakPolarHBondContact O-CD2 3.5Å; D201-R458 PolarHBondContact O-NH2 3.15Å
202	F	96.3	Very high	94.2	Very high	21 Å²	21	30.1 Å²	30.1	9%	0.092	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	4.9	179	-75.7	-88.9	0	0	0	115.5	R178 K181 P183 Q184 Y200 K451 L454	R178-F202 HydrophobicContact CB-CB 4.32Å; R178-F202 HydrophobicContact CB-CD2 3.93Å; K181-F202 HydrophobicContact CB-CD1 4.47Å; K181-F202 HydrophobicContact CB-CE1 3.68Å; K181-F202 HydrophobicContact CB-CE2 4.3Å; K181-F202 HydrophobicContact CB-CZ 3.58Å; K181-F202 HydrophobicContact CG-CE1 4.45Å; K181-F202 HydrophobicContact CG-CE2 4.37Å; K181-F202 HydrophobicContact CG-CZ 3.86Å; K181-F202 VanDerWaalsContact O-CD1 3.28Å; K181-F202 WeakPolarHBondContact O-CD1 3.38Å; K181-F202 WeakPolarHBondContact O-CE1 3.5Å; P183-F202 WeakPolarHBondContact CA-O 3.21Å; Q184-F202 PolarHBondContact N-O 3.14Å; Y200-F202 PolarHBondContact O-N 3.22Å; Y200-F202 VanDerWaalsContact O-N 3.15Å; F202-K451 HydrophobicContact CE1-CB 4.24Å; F202-K451 HydrophobicContact CZ-CB 4.13Å; F202-K451 HydrophobicContact CZ-CG 4.46Å; F202-L454 HydrophobicContact CD1-CD2 4.03Å; F202-L454 HydrophobicContact CE1-CD2 4.19Å; F202-L454 HydrophobicContact CG-CD2 4.44Å
203	F	97.6	Very high	94.3	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.009	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	151.1	178.2	-171.5	-98.7	0	0	0	112.4	Q184 L194 Y200 R205 R458	Q184-F203 HydrophobicContact CB-CD2 4.38Å; Q184-F203 HydrophobicContact CG-CD2 4.21Å; Q184-F203 HydrophobicContact CG-CE2 4.44Å; Q184-F203 CarbonylContact O-C 3.58Å; L194-F203 HydrophobicContact CB-CD1 3.93Å; L194-F203 HydrophobicContact CB-CE1 3.69Å; L194-F203 HydrophobicContact CB-CZ 4.29Å; L194-F203 HydrophobicContact CD1-CE1 4.12Å; L194-F203 HydrophobicContact CD1-CE2 4.4Å; L194-F203 HydrophobicContact CD1-CZ 3.85Å; L194-F203 HydrophobicContact CD2-CD1 4.24Å; L194-F203 HydrophobicContact CD2-CD2 4.21Å; L194-F203 HydrophobicContact CD2-CE1 4.25Å; L194-F203 HydrophobicContact CD2-CE2 4.22Å; L194-F203 HydrophobicContact CD2-CG 4.22Å; L194-F203 HydrophobicContact CD2-CZ 4.24Å; L194-F203 HydrophobicContact CG-CE1 4.24Å; L194-F203 HydrophobicContact CG-CZ 4.36Å; Y200-F203 WeakPolarHBondContact O-CB 3.5Å; Y200-F203 PolarHBondContact O-N 2.82Å; F203-R205 HydrophobicContact CE1-CB 4.03Å; F203-R205 HydrophobicContact CE1-CG 3.94Å; F203-R205 HydrophobicContact CZ-CB 4.17Å; F203-R458 PolarHBondContact O-NH2 2.85Å
204	S	97.6	Very high	94.6	Very high	1 Å²	1	26 Å²	26	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	164.9	167.3	-66.1	0	0	0	0	109.4	Q184 I185 S186 R458 G476	Q184-S204 PolarHBondContact O-N 3.07Å; I185-S204 CarbonylContact C-O 3.58Å; I185-S204 VanDerWaalsContact CA-O 3.31Å; I185-S204 WeakPolarHBondContact CA-O 3.45Å; S186-S204 PolarHBondContact N-O 2.66Å; S204-R458 PolarHBondContact OG-NE 3.18Å; S204-G476 CarbonylContact C-O 3.58Å; S204-G476 VanDerWaalsContact CA-O 3.25Å; S204-G476 WeakPolarHBondContact CA-O 3.16Å; S204-G476 WeakPolarHBondContact CB-O 3.49Å
205	R	96.7	Very high	94.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	141.7	-179.9	53.7	177.9	165	-150.1	-11.9	113.5	S186 S189 T190 A191 S195 F203 V207 F472 G476 D477 A478	S186-R205 VanDerWaalsContact O-CA 3.25Å; S186-R205 WeakPolarHBondContact O-CA 3.17Å; S186-R205 WeakPolarHBondContact O-CB 3.48Å; S189-R205 WeakPolarHBondContact O-CD 3.36Å; S189-R205 PolarHBondContact O-NH1 3Å; T190-R205 PolarHBondContact O-NH1 2.78Å; A191-R205 PolarHBondContact O-NH1 3.27Å; A191-R205 PolarHBondContact O-NH2 2.97Å; S195-R205 PolarHBondContact OG-NH2 2.92Å; F203-R205 HydrophobicContact CE1-CB 4.03Å; F203-R205 HydrophobicContact CE1-CG 3.94Å; F203-R205 HydrophobicContact CZ-CB 4.17Å; R205-V207 VanDerWaalsContact C-N 3.26Å; R205-V207 HydrophobicContact CB-CG2 4.33Å; R205-V207 VanDerWaalsContact CD-O 3.31Å; R205-V207 WeakPolarHBondContact CD-O 3.3Å; R205-V207 WeakPolarHBondContact CG-O 3.26Å; R205-V207 PolarHBondContact O-N 3.42Å; R205-F472 WeakPolarHBondContact O-CE1 3.43Å; R205-G476 PolarHBondContact N-O 3.23Å; R205-D477 IonicContact CZ-OD1 2.7Å; R205-D477 IonicContact NE-OD1 2.71Å; R205-D477 PolarHBondContact NE-OD1 3.03Å; R205-D477 IonicContact NH2-OD1 3.41Å; R205-D477 PolarHBondContact NH2-OD1 3.37Å; R205-A478 PolarHBondContact O-N 3.03Å; R205-A478 VanDerWaalsContact O-N 3.11Å
206	V	95.3	Very high	94.7	Very high	11 Å²	11	28 Å²	28	7%	0.067	14%	0.144	C	C	.	.	S	Bend	trans	-87.3	6.8	177.4	-60.8	0	0	0	0	113.2	I185 S186 F415 A419 V470 F472 A478	I185-V206 HydrophobicContact CG2-CG1 4.08Å; S186-V206 PolarHBondContact O-N 2.91Å; S186-V206 VanDerWaalsContact O-N 3.11Å; V206-F415 HydrophobicContact CG2-CB 3.96Å; V206-F415 HydrophobicContact CG2-CD1 4.41Å; V206-F415 VanDerWaalsContact CG2-O 3.25Å; V206-F415 WeakPolarHBondContact CG2-O 3.25Å; V206-A419 HydrophobicContact CG1-CB 4.32Å; V206-A419 HydrophobicContact CG2-CB 4.03Å; V206-V470 HydrophobicContact CG1-CG1 4.12Å; V206-F472 HydrophobicContact CG1-CE1 3.85Å; V206-F472 HydrophobicContact CG1-CZ 3.88Å; V206-A478 VanDerWaalsContact C-CB 3.46Å; V206-A478 WeakPolarHBondContact O-CB 3.34Å
207	V	93.8	Very high	94.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-115.9	145	172.7	-67.5	0	0	0	0	110.3	Y187 T190 R205 F415	Y187-V207 WeakPolarHBondContact O-CG1 3.18Å; T190-V207 HydrophobicContact CG2-CB 4.39Å; T190-V207 HydrophobicContact CG2-CG2 3.93Å; R205-V207 VanDerWaalsContact C-N 3.26Å; R205-V207 HydrophobicContact CB-CG2 4.33Å; R205-V207 VanDerWaalsContact CD-O 3.31Å; R205-V207 WeakPolarHBondContact CD-O 3.3Å; R205-V207 WeakPolarHBondContact CG-O 3.26Å; R205-V207 PolarHBondContact O-N 3.42Å; V207-F415 HydrophobicContact CG1-CB 4.1Å; V207-F415 HydrophobicContact CG1-CD1 3.92Å; V207-F415 HydrophobicContact CG1-CD2 3.69Å; V207-F415 HydrophobicContact CG1-CE1 4.29Å; V207-F415 HydrophobicContact CG1-CE2 4.09Å; V207-F415 HydrophobicContact CG1-CG 3.63Å; V207-F415 HydrophobicContact CG1-CZ 4.38Å
208	P	94.1	Very high	95.1	Very high	8 Å²	8	22.6 Å²	22.6	5%	0.052	12%	0.115	C	C	.	.			trans	-73.6	151.1	-178.4	29.3	-35.8	0	0	0	113.1	T190 Y212 A478 Y482	T190-P208 WeakPolarHBondContact CG2-O 3.27Å; P208-Y212 HydrophobicContact CB-CD2 4.09Å; P208-A478 WeakPolarHBondContact CA-O 3.47Å; P208-Y482 HydrophobicContact CG-CE1 4Å; P208-Y482 WeakPolarHBondContact CG-OH 3.26Å
209	P	94.6	Very high	95.3	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.013	10%	0.096	C	C	.	.			trans	-64.6	157.1	175.6	21.1	-32	0	0	0	114.8	T190 S211 Y212 D477 Y482	T190-P209 CarbonylContact O-C 3.5Å; T190-P209 VanDerWaalsContact O-CA 3.24Å; T190-P209 WeakPolarHBondContact O-CA 3.43Å; P209-S211 PolarHBondContact O-N 3.1Å; P209-Y212 HydrophobicContact CG-CD2 3.65Å; P209-Y212 HydrophobicContact CG-CE2 3.81Å; P209-Y212 PolarHBondContact O-N 3.13Å; P209-Y212 VanDerWaalsContact O-N 3.1Å; P209-D477 HydrophobicContact CG-CB 4.43Å; P209-Y482 PolarHBondContact O-OH 2.99Å
210	D	93.1	Very high	95.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66.5	-13	176.8	-62.5	-42.3	0	0	0	113.6	T190 A191 P192 Y212 Q213 A214 Y238 F292	T190-D210 VanDerWaalsContact CB-CG 3.47Å; T190-D210 WeakPolarHBondContact CB-OD1 3.41Å; T190-D210 WeakPolarHBondContact CB-OD2 3.35Å; T190-D210 PolarHBondContact O-N 2.99Å; T190-D210 VanDerWaalsContact O-OD2 3.07Å; T190-D210 PolarHBondContact OG1-OD1 3.38Å; T190-D210 PolarHBondContact OG1-OD2 2.84Å; A191-D210 WeakPolarHBondContact CA-OD2 3.38Å; A191-D210 PolarHBondContact N-OD2 2.88Å; P192-D210 HydrophobicContact CG-CB 4.09Å; D210-Y212 VanDerWaalsContact C-N 3.34Å; D210-Q213 WeakPolarHBondContact O-CB 3.23Å; D210-Q213 PolarHBondContact O-N 2.83Å; D210-Q213 PolarHBondContact OD1-NE2 3.12Å; D210-A214 WeakPolarHBondContact O-CB 3.42Å; D210-A214 PolarHBondContact O-N 3.31Å; D210-Y238 WeakPolarHBondContact OD2-CD2 3.45Å; D210-F292 HydrophobicContact CB-CE1 4.37Å
211	S	93.6	Very high	95.5	Very high	44 Å²	44	14.9 Å²	14.9	31%	0.308	8%	0.076	S	C	.	.	H	α-helix	trans	-64	-38	169.1	51.5	0	0	0	0	112	P209 A214 Q215	P209-S211 PolarHBondContact O-N 3.1Å; S211-A214 PolarHBondContact O-N 2.9Å; S211-Q215 PolarHBondContact O-N 2.85Å
212	Y	95.1	Very high	95.5	Very high	74 Å²	74	16.3 Å²	16.3	29%	0.29	9%	0.086	S	C	.	.	H	α-helix	trans	-74	-29.4	171.7	-62.1	-54.3	0	0	0	112.1	P208 P209 D210 A216 Y482 W503	P208-Y212 HydrophobicContact CB-CD2 4.09Å; P209-Y212 HydrophobicContact CG-CD2 3.65Å; P209-Y212 HydrophobicContact CG-CE2 3.81Å; P209-Y212 PolarHBondContact O-N 3.13Å; P209-Y212 VanDerWaalsContact O-N 3.1Å; D210-Y212 VanDerWaalsContact C-N 3.34Å; Y212-A216 WeakPolarHBondContact O-CB 3.4Å; Y212-A216 PolarHBondContact O-N 3.24Å; Y212-Y482 WeakPolarHBondContact CB-OH 3.24Å; Y212-W503 HydrophobicContact CD1-CH2 4.01Å; Y212-W503 HydrophobicContact CD1-CZ3 4.47Å
213	Q	94.9	Very high	95.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.1	-47.9	169.3	-68.9	-153.9	69.1	0	0	110.8	D210 Q215 A216 M217 F292 D320 I342 Y482	D210-Q213 WeakPolarHBondContact O-CB 3.23Å; D210-Q213 PolarHBondContact O-N 2.83Å; D210-Q213 PolarHBondContact OD1-NE2 3.12Å; Q213-Q215 PolarHBondContact O-N 2.62Å; Q213-A216 PolarHBondContact O-N 2.7Å; Q213-M217 VanDerWaalsContact O-CG 3.29Å; Q213-M217 WeakPolarHBondContact O-CG 3.46Å; Q213-M217 PolarHBondContact O-N 2.77Å; Q213-F292 HydrophobicContact CB-CE1 4.01Å; Q213-F292 HydrophobicContact CB-CZ 4.35Å; Q213-D320 PolarHBondContact NE2-OD1 3.08Å; Q213-I342 HydrophobicContact CB-CD1 3.65Å; Q213-I342 HydrophobicContact CG-CD1 3.84Å; Q213-I342 VanDerWaalsContact OE1-CD1 3.27Å; Q213-Y482 HydrophobicContact CG-CE1 3.59Å; Q213-Y482 WeakPolarHBondContact CG-OH 3.49Å; Q213-Y482 PolarHBondContact N-OH 3.1Å
214	A	96	Very high	95.1	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.4	-41.6	178.8	0	0	0	0	0	112.5	D210 S211 M217 M218 A245 F246 I249 F292	D210-A214 WeakPolarHBondContact O-CB 3.42Å; D210-A214 PolarHBondContact O-N 3.31Å; S211-A214 PolarHBondContact O-N 2.9Å; A214-M217 PolarHBondContact O-N 2.85Å; A214-M218 PolarHBondContact O-N 3.19Å; A214-A245 HydrophobicContact CB-CB 3.84Å; A214-F246 HydrophobicContact CB-CB 4.05Å; A214-I249 HydrophobicContact CB-CD1 3.91Å; A214-F292 HydrophobicContact CB-CZ 4.2Å
215	Q	95.9	Very high	94.9	Very high	63 Å²	63	24.7 Å²	24.7	29%	0.294	13%	0.132	S	C	.	.	H	α-helix	trans	-63	-48.1	173	-172.2	64.7	58	0	0	111.6	S211 Q213 M217 M218 D219 I249 W503	S211-Q215 PolarHBondContact O-N 2.85Å; Q213-Q215 PolarHBondContact O-N 2.62Å; Q215-M217 VanDerWaalsContact C-N 3.27Å; Q215-M217 PolarHBondContact O-N 2.7Å; Q215-M218 PolarHBondContact O-N 3.04Å; Q215-M218 VanDerWaalsContact O-N 3.09Å; Q215-D219 PolarHBondContact NE2-OD1 3.19Å; Q215-D219 VanDerWaalsContact O-CG 3.32Å; Q215-D219 PolarHBondContact O-N 3.42Å; Q215-I249 HydrophobicContact CB-CD1 4.19Å; Q215-W503 HydrophobicContact CB-CZ2 4.22Å; Q215-W503 HydrophobicContact CG-CZ2 3.87Å
216	A	96.4	Very high	94.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.2	-37.8	178.2	0	0	0	0	0	112.2	Y212 Q213 I220 Y482 W503	Y212-A216 WeakPolarHBondContact O-CB 3.4Å; Y212-A216 PolarHBondContact O-N 3.24Å; Q213-A216 PolarHBondContact O-N 2.7Å; A216-I220 WeakPolarHBondContact O-CD1 3.16Å; A216-I220 WeakPolarHBondContact O-CG1 3.44Å; A216-I220 PolarHBondContact O-N 2.99Å; A216-I220 VanDerWaalsContact O-N 3.11Å; A216-Y482 HydrophobicContact CB-CD2 4.25Å; A216-W503 HydrophobicContact CB-CB 4.16Å; A216-W503 HydrophobicContact CB-CD2 3.88Å; A216-W503 HydrophobicContact CB-CG 3.68Å
217	M	96.8	Very high	94.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69	-37.2	174.1	-68	171.8	99.5	0	0	112.3	Q213 A214 Q215 I220 V221 F246 I290 F292 V317 I342	Q213-M217 VanDerWaalsContact O-CG 3.29Å; Q213-M217 WeakPolarHBondContact O-CG 3.46Å; Q213-M217 PolarHBondContact O-N 2.77Å; A214-M217 PolarHBondContact O-N 2.85Å; Q215-M217 VanDerWaalsContact C-N 3.27Å; Q215-M217 PolarHBondContact O-N 2.7Å; M217-I220 PolarHBondContact O-N 3.04Å; M217-V221 VanDerWaalsContact O-CG2 3.25Å; M217-V221 WeakPolarHBondContact O-CG2 3.24Å; M217-V221 PolarHBondContact O-N 2.91Å; M217-F246 HydrophobicContact CB-CD2 4.12Å; M217-F246 HydrophobicContact CB-CE2 4.07Å; M217-I290 HydrophobicContact CE-CG2 3.8Å; M217-I290 HydrophobicContact SD-CG2 4.36Å; M217-F292 HydrophobicContact CE-CE2 4.3Å; M217-F292 HydrophobicContact SD-CD2 4.41Å; M217-F292 HydrophobicContact SD-CE1 4.18Å; M217-F292 HydrophobicContact SD-CE2 3.56Å; M217-F292 VanDerWaalsContact SD-CE2 3.56Å; M217-F292 HydrophobicContact SD-CZ 3.42Å; M217-F292 WeakPolarHBondContact SD-CZ 3.34Å; M217-V317 HydrophobicContact CE-CB 4.17Å; M217-V317 HydrophobicContact CE-CG1 3.74Å; M217-V317 WeakPolarHBondContact CE-O 3.3Å; M217-V317 HydrophobicContact CG-CG1 4.24Å; M217-I342 HydrophobicContact CG-CD1 3.79Å; M217-I342 HydrophobicContact CG-CG1 4.47Å; M217-I342 HydrophobicContact SD-CD1 4.04Å
218	M	96.1	Very high	94.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-64.7	-48	174.7	-172.7	60.3	61.8	0	0	111.1	A214 Q215 I220 V221 T222 F246 I249 V256	A214-M218 PolarHBondContact O-N 3.19Å; Q215-M218 PolarHBondContact O-N 3.04Å; Q215-M218 VanDerWaalsContact O-N 3.09Å; M218-I220 PolarHBondContact O-N 3.21Å; M218-V221 PolarHBondContact O-N 2.71Å; M218-V221 VanDerWaalsContact O-N 3.1Å; M218-T222 PolarHBondContact O-N 2.8Å; M218-T222 PolarHBondContact O-OG1 3.12Å; M218-T222 VanDerWaalsContact O-OG1 3.04Å; M218-F246 HydrophobicContact CB-CE2 4.21Å; M218-F246 HydrophobicContact CE-CD1 4.1Å; M218-F246 HydrophobicContact CE-CD2 3.91Å; M218-F246 HydrophobicContact CE-CE1 3.72Å; M218-F246 HydrophobicContact CE-CE2 3.53Å; M218-F246 HydrophobicContact CE-CG 4.18Å; M218-F246 HydrophobicContact CE-CZ 3.4Å; M218-F246 WeakPolarHBondContact CE-O 3.4Å; M218-F246 HydrophobicContact SD-CE2 4.31Å; M218-F246 HydrophobicContact SD-CZ 4.2Å; M218-I249 HydrophobicContact CB-CG2 4.04Å; M218-I249 HydrophobicContact CG-CG2 3.91Å; M218-V256 HydrophobicContact SD-CB 4.12Å; M218-V256 HydrophobicContact SD-CG1 4.46Å; M218-V256 HydrophobicContact SD-CG2 3.82Å
219	D	96.3	Very high	94.9	Very high	37 Å²	37	27 Å²	27	20%	0.198	14%	0.141	C	C	.	.	H	α-helix	trans	-56.2	-40.8	176.8	-64.2	1.8	0	0	0	110.9	Q215 A223 W503 L507	Q215-D219 PolarHBondContact NE2-OD1 3.19Å; Q215-D219 VanDerWaalsContact O-CG 3.32Å; Q215-D219 PolarHBondContact O-N 3.42Å; D219-A223 VanDerWaalsContact O-CB 3.29Å; D219-A223 WeakPolarHBondContact O-CB 3.49Å; D219-A223 PolarHBondContact O-N 2.77Å; D219-W503 PolarHBondContact OD2-NE1 2.87Å; D219-L507 VanDerWaalsContact C-CD2 3.42Å; D219-L507 HydrophobicContact CB-CB 3.88Å; D219-L507 HydrophobicContact CB-CD2 3.82Å; D219-L507 HydrophobicContact CB-CG 4.4Å; D219-L507 VanDerWaalsContact O-CD2 3.3Å; D219-L507 WeakPolarHBondContact O-CD2 3.02Å
220	I	95.9	Very high	95	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.3	-50	175.9	-71	163	0	0	0	110.6	A216 M217 M218 T222 A223 M224 I340 I342 I484 L507	A216-I220 WeakPolarHBondContact O-CD1 3.16Å; A216-I220 WeakPolarHBondContact O-CG1 3.44Å; A216-I220 PolarHBondContact O-N 2.99Å; A216-I220 VanDerWaalsContact O-N 3.11Å; M217-I220 PolarHBondContact O-N 3.04Å; M218-I220 PolarHBondContact O-N 3.21Å; I220-T222 VanDerWaalsContact C-N 3.32Å; I220-T222 PolarHBondContact O-N 2.8Å; I220-A223 PolarHBondContact O-N 2.87Å; I220-A223 VanDerWaalsContact O-N 3.14Å; I220-M224 HydrophobicContact CG2-CE 4.43Å; I220-M224 WeakPolarHBondContact O-CG 3.11Å; I220-M224 PolarHBondContact O-N 2.92Å; I220-I340 HydrophobicContact CD1-CG2 4.36Å; I220-I340 HydrophobicContact CG2-CD1 4.01Å; I220-I340 HydrophobicContact CG2-CG2 4.31Å; I220-I342 HydrophobicContact CD1-CG2 3.77Å; I220-I484 HydrophobicContact CD1-CD1 4Å; I220-I484 HydrophobicContact CD1-CG1 4.39Å; I220-I484 HydrophobicContact CD1-CG2 3.98Å; I220-I484 HydrophobicContact CG1-CD1 4.31Å; I220-L507 HydrophobicContact CG1-CD1 3.88Å; I220-L507 HydrophobicContact CG1-CD2 4.03Å
221	V	95.9	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.9	-44.3	178.9	167.4	0	0	0	0	111.2	M217 M218 M224 W226 V229 F246 V256 I290	M217-V221 VanDerWaalsContact O-CG2 3.25Å; M217-V221 WeakPolarHBondContact O-CG2 3.24Å; M217-V221 PolarHBondContact O-N 2.91Å; M218-V221 PolarHBondContact O-N 2.71Å; M218-V221 VanDerWaalsContact O-N 3.1Å; V221-M224 PolarHBondContact O-N 3.13Å; V221-W226 HydrophobicContact CG1-CB 3.97Å; V221-W226 WeakPolarHBondContact CG1-O 3.41Å; V221-W226 HydrophobicContact CG2-CE3 4.26Å; V221-W226 PolarHBondContact O-N 2.98Å; V221-V229 HydrophobicContact CG1-CG1 3.79Å; V221-F246 HydrophobicContact CG2-CE2 4.42Å; V221-F246 HydrophobicContact CG2-CZ 4.23Å; V221-V256 HydrophobicContact CG1-CG1 3.98Å; V221-V256 HydrophobicContact CG1-CG2 3.99Å; V221-I290 HydrophobicContact CG2-CD1 3.49Å; V221-I290 VanDerWaalsContact CG2-CD1 3.49Å
222	T	94.2	Very high	95.4	Very high	78 Å²	78	24.9 Å²	24.9	48%	0.479	13%	0.126	S	C	.	.	H	α-helix	trans	-63.5	-41.6	175.3	-53.6	0	0	0	0	111.9	M218 I220 M224 E225	M218-T222 PolarHBondContact O-N 2.8Å; M218-T222 PolarHBondContact O-OG1 3.12Å; M218-T222 VanDerWaalsContact O-OG1 3.04Å; I220-T222 VanDerWaalsContact C-N 3.32Å; I220-T222 PolarHBondContact O-N 2.8Å; T222-M224 VanDerWaalsContact C-N 3.25Å; T222-M224 PolarHBondContact O-N 2.84Å; T222-E225 PolarHBondContact O-N 3.28Å; T222-E225 VanDerWaalsContact O-N 3.13Å
223	A	93.8	Very high	95.5	Very high	35 Å²	35	21.4 Å²	21.4	29%	0.289	11%	0.113	S	C	.	.	H	α-helix	trans	-69	-18.1	177.6	0	0	0	0	0	114.2	D219 I220 L507 L509 M511	D219-A223 VanDerWaalsContact O-CB 3.29Å; D219-A223 WeakPolarHBondContact O-CB 3.49Å; D219-A223 PolarHBondContact O-N 2.77Å; I220-A223 PolarHBondContact O-N 2.87Å; I220-A223 VanDerWaalsContact O-N 3.14Å; A223-L507 HydrophobicContact CB-CD2 3.81Å; A223-L509 HydrophobicContact CB-CD1 4.24Å; A223-M511 HydrophobicContact CB-CE 4.1Å; A223-M511 WeakPolarHBondContact O-CE 3.37Å
224	M	92.1	Very high	95.4	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	5.3	172.5	-59.9	-61.6	143.3	0	0	113.5	I220 V221 T222 W226 I340 L509 M511 M514 W516 L523	I220-M224 HydrophobicContact CG2-CE 4.43Å; I220-M224 WeakPolarHBondContact O-CG 3.11Å; I220-M224 PolarHBondContact O-N 2.92Å; V221-M224 PolarHBondContact O-N 3.13Å; T222-M224 VanDerWaalsContact C-N 3.25Å; T222-M224 PolarHBondContact O-N 2.84Å; M224-W226 HydrophobicContact CB-CD2 3.53Å; M224-W226 VanDerWaalsContact CB-CE2 3.45Å; M224-W226 HydrophobicContact CB-CE3 4.02Å; M224-W226 HydrophobicContact CB-CG 3.8Å; M224-W226 HydrophobicContact CB-CH2 4.35Å; M224-W226 HydrophobicContact CB-CZ2 3.9Å; M224-W226 HydrophobicContact CB-CZ3 4.41Å; M224-W226 HydrophobicContact CG-CD2 4.22Å; M224-W226 HydrophobicContact CG-CE3 4.29Å; M224-W226 HydrophobicContact CG-CH2 4.05Å; M224-W226 HydrophobicContact CG-CZ2 3.96Å; M224-W226 HydrophobicContact CG-CZ3 4.21Å; M224-W226 PolarHBondContact O-N 3.08Å; M224-W226 PolarHBondContact O-NE1 3.39Å; M224-I340 HydrophobicContact CE-CD1 4.16Å; M224-L509 HydrophobicContact CE-CD1 3.43Å; M224-L509 VanDerWaalsContact CE-CD1 3.43Å; M224-M511 HydrophobicContact CE-CE 3.92Å; M224-M511 HydrophobicContact CE-SD 3.98Å; M224-M511 HydrophobicContact SD-CE 4.42Å; M224-M514 HydrophobicContact CE-CE 3.68Å; M224-M514 HydrophobicContact CE-SD 3.63Å; M224-M514 HydrophobicContact SD-CE 4.04Å; M224-M514 HydrophobicContact SD-SD 4.32Å; M224-W516 HydrophobicContact SD-CZ2 4.2Å; M224-L523 HydrophobicContact SD-CD2 3.9Å
225	E	92.4	Very high	95.1	Very high	164 Å²	164	25.9 Å²	25.9	77%	0.766	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	23.6	-173.4	-53.8	-172.9	171.4	0	0	114.1	T222 N227	T222-E225 PolarHBondContact O-N 3.28Å; T222-E225 VanDerWaalsContact O-N 3.13Å; E225-N227 PolarHBondContact O-N 3.38Å
226	W	94.2	Very high	94.6	Very high	5 Å²	5	23.4 Å²	23.4	2%	0.019	13%	0.126	C	C	.	.			trans	-84.1	114.7	-178.7	-65.4	-11.7	0	0	0	111.5	V221 M224 V229 A288 L315 V317 I340 W516 P524	V221-W226 HydrophobicContact CG1-CB 3.97Å; V221-W226 WeakPolarHBondContact CG1-O 3.41Å; V221-W226 HydrophobicContact CG2-CE3 4.26Å; V221-W226 PolarHBondContact O-N 2.98Å; M224-W226 HydrophobicContact CB-CD2 3.53Å; M224-W226 VanDerWaalsContact CB-CE2 3.45Å; M224-W226 HydrophobicContact CB-CE3 4.02Å; M224-W226 HydrophobicContact CB-CG 3.8Å; M224-W226 HydrophobicContact CB-CH2 4.35Å; M224-W226 HydrophobicContact CB-CZ2 3.9Å; M224-W226 HydrophobicContact CB-CZ3 4.41Å; M224-W226 HydrophobicContact CG-CD2 4.22Å; M224-W226 HydrophobicContact CG-CE3 4.29Å; M224-W226 HydrophobicContact CG-CH2 4.05Å; M224-W226 HydrophobicContact CG-CZ2 3.96Å; M224-W226 HydrophobicContact CG-CZ3 4.21Å; M224-W226 PolarHBondContact O-N 3.08Å; M224-W226 PolarHBondContact O-NE1 3.39Å; W226-V229 HydrophobicContact CB-CG1 4.4Å; W226-A288 HydrophobicContact CD2-CB 3.84Å; W226-A288 HydrophobicContact CE3-CB 3.39Å; W226-A288 HydrophobicContact CG-CB 4.48Å; W226-A288 HydrophobicContact CH2-CB 4.44Å; W226-A288 HydrophobicContact CZ3-CB 3.73Å; W226-L315 HydrophobicContact CH2-CB 4.04Å; W226-L315 HydrophobicContact CH2-CD1 4.36Å; W226-L315 HydrophobicContact CZ2-CB 4.24Å; W226-L315 HydrophobicContact CZ2-CD1 3.72Å; W226-V317 HydrophobicContact CZ3-CG2 3.77Å; W226-I340 HydrophobicContact CH2-CD1 4.35Å; W226-W516 HydrophobicContact CH2-CH2 4.32Å; W226-W516 HydrophobicContact CZ2-CH2 4.18Å; W226-P524 PolarHBondContact NE1-O 3.49Å
227	N	93.1	Very high	94.1	Very high	37 Å²	37	25.6 Å²	25.6	20%	0.198	14%	0.137	C	C	.	.			trans	-103.5	-4.3	179	70.8	38.6	0	0	0	114.4	E225 G255 C257 S526 V527 C528	E225-N227 PolarHBondContact O-N 3.38Å; N227-G255 WeakPolarHBondContact CB-O 3.45Å; N227-C257 PolarHBondContact O-N 3.02Å; N227-S526 PolarHBondContact N-O 3.28Å; N227-V527 VanDerWaalsContact OD1-CA 3.25Å; N227-V527 WeakPolarHBondContact OD1-CA 3.22Å; N227-V527 WeakPolarHBondContact OD1-CB 3.12Å; N227-C528 PolarHBondContact OD1-N 2.85Å
228	Y	95.2	Very high	93.6	Very high	26 Å²	26	27 Å²	27	10%	0.102	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	113.8	-178.6	-165	-128.5	0	0	0	111.1	C257 A259 N285 A286 S526 C528 V544	Y228-C257 WeakPolarHBondContact CA-O 3.13Å; Y228-C257 HydrophobicContact CD2-CB 4.08Å; Y228-A259 HydrophobicContact CD1-CB 4.24Å; Y228-A259 HydrophobicContact CD2-CB 4.04Å; Y228-A259 HydrophobicContact CE1-CB 3.71Å; Y228-A259 HydrophobicContact CE2-CB 3.49Å; Y228-A259 VanDerWaalsContact CE2-CB 3.49Å; Y228-A259 HydrophobicContact CG-CB 4.39Å; Y228-N285 HydrophobicContact CD1-CB 4.23Å; Y228-N285 HydrophobicContact CE1-CB 4.29Å; Y228-A286 HydrophobicContact CD1-CB 3.6Å; Y228-A286 HydrophobicContact CE1-CB 3.77Å; Y228-A286 HydrophobicContact CG-CB 4.28Å; Y228-S526 PolarHBondContact N-O 3.33Å; Y228-S526 VanDerWaalsContact N-O 3.14Å; Y228-S526 PolarHBondContact O-OG 2.89Å; Y228-C528 VanDerWaalsContact CD1-CA 3.45Å; Y228-C528 HydrophobicContact CD1-CB 3.66Å; Y228-C528 HydrophobicContact CD2-CB 3.7Å; Y228-C528 HydrophobicContact CE1-CB 3.96Å; Y228-C528 HydrophobicContact CE2-CB 4Å; Y228-C528 HydrophobicContact CG-CB 3.52Å; Y228-V544 HydrophobicContact CE2-CG1 4.47Å
229	V	96.9	Very high	93.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	154.6	-171	-50.7	0	0	0	0	111.1	V221 W226 F246 V256 C257 I258 A259 A288 I290	V221-V229 HydrophobicContact CG1-CG1 3.79Å; W226-V229 HydrophobicContact CB-CG1 4.4Å; V229-F246 HydrophobicContact CG2-CE1 4.03Å; V229-F246 HydrophobicContact CG2-CZ 4.33Å; V229-V256 HydrophobicContact CG1-CG1 4.19Å; V229-V256 HydrophobicContact CG2-CG1 3.98Å; V229-C257 PolarHBondContact N-O 3.41Å; V229-I258 HydrophobicContact CG2-CD1 3.81Å; V229-I258 CarbonylContact O-C 3.59Å; V229-I258 WeakPolarHBondContact O-CA 3.35Å; V229-A259 PolarHBondContact O-N 2.99Å; V229-A288 WeakPolarHBondContact CA-O 3.49Å; V229-A288 HydrophobicContact CB-CB 4.32Å; V229-A288 HydrophobicContact CG1-CB 3.92Å; V229-I290 HydrophobicContact CB-CG1 4.14Å; V229-I290 HydrophobicContact CG2-CG1 4.02Å
230	S	97.6	Very high	93.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	149.7	169.2	-55	0	0	0	0	110.5	Q260 A286 A288 I289 I290	S230-Q260 WeakPolarHBondContact CA-O 3.44Å; S230-A286 WeakPolarHBondContact OG-CB 3.39Å; S230-A288 PolarHBondContact N-O 2.03Å; S230-I289 WeakPolarHBondContact O-CA 3.46Å; S230-I290 PolarHBondContact O-N 2.98Å
231	T	97.8	Very high	93	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	144.2	176	56	0	0	0	0	111.8	V243 F246 I258 Q260 S261 L262 I290	T231-V243 HydrophobicContact CG2-CG1 4.1Å; T231-F246 HydrophobicContact CG2-CD1 3.96Å; T231-F246 HydrophobicContact CG2-CE1 4.23Å; T231-I258 HydrophobicContact CG2-CD1 4.22Å; T231-I258 HydrophobicContact CG2-CG2 4.26Å; T231-Q260 PolarHBondContact N-O 3.14Å; T231-S261 VanDerWaalsContact OG1-CA 3.26Å; T231-S261 WeakPolarHBondContact OG1-CA 3.19Å; T231-S261 WeakPolarHBondContact OG1-CB 3.44Å; T231-S261 PolarHBondContact OG1-OG 2.82Å; T231-L262 PolarHBondContact O-N 3.26Å; T231-I290 CarbonylContact C-O 3.52Å; T231-I290 WeakPolarHBondContact CA-O 3.2Å; T231-I290 HydrophobicContact CG2-CB 4.16Å
232	L	97.6	Very high	92.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	119.9	178.2	-175.2	60.6	0	0	0	111	L262 I264 I276 I289 I290 M291 F292 V301	L232-L262 WeakPolarHBondContact CA-O 3.16Å; L232-L262 HydrophobicContact CD1-CB 3.73Å; L232-I264 HydrophobicContact CD1-CD1 4.18Å; L232-I264 HydrophobicContact CD1-CG1 3.75Å; L232-I264 HydrophobicContact CD2-CD1 4.24Å; L232-I264 HydrophobicContact CG-CD1 4.09Å; L232-I264 HydrophobicContact CG-CG1 4.19Å; L232-I276 HydrophobicContact CD1-CG2 3.89Å; L232-I276 HydrophobicContact CD2-CG2 4.33Å; L232-I289 HydrophobicContact CB-CG2 4.27Å; L232-I290 PolarHBondContact N-O 3.34Å; L232-M291 HydrophobicContact CB-CG 4.43Å; L232-M291 HydrophobicContact CD2-SD 3.91Å; L232-M291 WeakPolarHBondContact O-CA 3.36Å; L232-F292 PolarHBondContact O-N 2.92Å; L232-V301 HydrophobicContact CD2-CG1 3.98Å; L232-V301 HydrophobicContact CD2-CG2 3.96Å
233	A	96.6	Very high	93	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.008	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	142.3	-177.5	0	0	0	0	0	112.2	G239 E240 V243 L262 K263 I264 F292	A233-G239 VanDerWaalsContact CB-C 3.48Å; A233-G239 VanDerWaalsContact CB-O 3.32Å; A233-G239 WeakPolarHBondContact CB-O 3.36Å; A233-E240 HydrophobicContact CB-CG 4.45Å; A233-V243 HydrophobicContact CB-CB 4.33Å; A233-V243 HydrophobicContact CB-CG2 3.9Å; A233-L262 PolarHBondContact N-O 3.23Å; A233-K263 CarbonylContact O-C 3.57Å; A233-K263 VanDerWaalsContact O-CA 3.31Å; A233-K263 WeakPolarHBondContact O-CA 3.47Å; A233-I264 PolarHBondContact O-N 3.34Å; A233-F292 WeakPolarHBondContact CA-O 3.44Å
234	S	92.7	Very high	93.1	Very high	4 Å²	4	30.3 Å²	30.3	3%	0.028	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	137	158.6	-67.5	0	0	0	0	110.8	G236 G239 F292 A293 N294 D297	S234-G236 PolarHBondContact O-N 2.85Å; S234-G239 WeakPolarHBondContact O-CA 3.43Å; S234-F292 PolarHBondContact N-O 3.42Å; S234-A293 VanDerWaalsContact OG-CA 3.26Å; S234-A293 WeakPolarHBondContact OG-CA 3.48Å; S234-A293 WeakPolarHBondContact OG-CB 3.3Å; S234-N294 VanDerWaalsContact CB-ND2 3.27Å; S234-N294 WeakPolarHBondContact CB-ND2 3.27Å; S234-N294 PolarHBondContact OG-N 3.06Å; S234-N294 PolarHBondContact OG-ND2 3.36Å; S234-D297 WeakPolarHBondContact CB-OD2 3.35Å; S234-D297 PolarHBondContact OG-OD2 3.48Å
235	E	89.7	Confident	93.2	Very high	91 Å²	91	31.1 Å²	31.1	43%	0.425	16%	0.155	S	C	.	.	S	Bend	trans	-62.1	121.2	-175.7	178.4	-178.1	-141.9	0	0	113.2	E240 I264 P265 R266	E235-E240 WeakPolarHBondContact CA-OE1 3.48Å; E235-I264 VanDerWaalsContact CB-O 3.26Å; E235-I264 WeakPolarHBondContact CB-O 3.49Å; E235-I264 PolarHBondContact N-O 3.45Å; E235-P265 WeakPolarHBondContact OE2-CA 3.3Å; E235-R266 HydrophobicContact CB-CG 3.93Å; E235-R266 HydrophobicContact CG-CG 3.94Å; E235-R266 VanDerWaalsContact O-CG 3.24Å; E235-R266 WeakPolarHBondContact O-CG 3.47Å; E235-R266 PolarHBondContact O-NE 2.92Å; E235-R266 VanDerWaalsContact O-NE 3.08Å; E235-R266 PolarHBondContact OE2-N 3.35Å
236	G	85.2	Confident	93.4	Very high	11 Å²	11	23.3 Å²	23.3	11%	0.113	12%	0.118	C	C	.	.	S	Bend	trans	125.4	169.7	-173.5	0	0	0	0	0	114.2	S234 Y238 G239 E240	S234-G236 PolarHBondContact O-N 2.85Å; G236-Y238 PolarHBondContact O-N 2.03Å; G236-G239 PolarHBondContact O-N 3.27Å; G236-E240 PolarHBondContact N-OE1 3.32Å; G236-E240 PolarHBondContact O-N 2.96Å; G236-E240 VanDerWaalsContact O-N 3.1Å
237	N	85.9	Confident	93.4	Very high	45 Å²	45	24.1 Å²	24.1	24%	0.241	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	0.2	-167.4	-52.1	80.8	0	0	0	116.8	I171 A191 E193 S241	I171-N237 HydrophobicContact CD1-CB 3.71Å; A191-N237 WeakPolarHBondContact CB-O 3.46Å; E193-N237 WeakPolarHBondContact OE1-CB 3.35Å; E193-N237 PolarHBondContact OE1-ND2 2.86Å; E193-N237 PolarHBondContact OE2-ND2 2.75Å; N237-S241 WeakPolarHBondContact CA-OG 2.98Å; N237-S241 WeakPolarHBondContact O-CB 3.3Å; N237-S241 PolarHBondContact O-OG 3.38Å
238	Y	87.3	Confident	93.5	Very high	31 Å²	31	26.3 Å²	26.3	12%	0.122	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-61.4	169.6	173.7	-108.5	0	0	0	110.1	T190 D210 G236 G242 S319 D320 S321	T190-Y238 WeakPolarHBondContact OG1-CD2 3.32Å; T190-Y238 WeakPolarHBondContact OG1-CE2 3.4Å; D210-Y238 WeakPolarHBondContact OD2-CD2 3.45Å; G236-Y238 PolarHBondContact O-N 2.03Å; Y238-G242 PolarHBondContact O-N 3.36Å; Y238-S319 WeakPolarHBondContact OH-CB 3.34Å; Y238-S319 PolarHBondContact OH-OG 2.86Å; Y238-D320 PolarHBondContact OH-OD1 2.87Å; Y238-S321 WeakPolarHBondContact OH-CB 3.5Å; Y238-S321 PolarHBondContact OH-N 3.34Å
239	G	90.9	Very high	93.5	Very high	1 Å²	1	26 Å²	26	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-68.6	-44.8	-174.7	0	0	0	0	0	113.2	A233 S234 G236 V243 F292	A233-G239 VanDerWaalsContact CB-C 3.48Å; A233-G239 VanDerWaalsContact CB-O 3.32Å; A233-G239 WeakPolarHBondContact CB-O 3.36Å; S234-G239 WeakPolarHBondContact O-CA 3.43Å; G236-G239 PolarHBondContact O-N 3.27Å; G239-V243 WeakPolarHBondContact O-CB 3.47Å; G239-V243 WeakPolarHBondContact O-CG2 3.45Å; G239-V243 PolarHBondContact O-N 3.3Å; G239-V243 VanDerWaalsContact O-N 3.07Å; G239-F292 WeakPolarHBondContact CA-O 3.4Å
240	E	92.7	Very high	93.4	Very high	56 Å²	56	26.2 Å²	26.2	26%	0.262	13%	0.134	S	C	.	.	H	α-helix	trans	-70.2	-50.8	-177.4	-65.5	-177.5	-116.9	0	0	111.6	A233 E235 G236 G242 V243 E244 K263	A233-E240 HydrophobicContact CB-CG 4.45Å; E235-E240 WeakPolarHBondContact CA-OE1 3.48Å; G236-E240 PolarHBondContact N-OE1 3.32Å; G236-E240 PolarHBondContact O-N 2.96Å; G236-E240 VanDerWaalsContact O-N 3.1Å; E240-G242 VanDerWaalsContact C-N 3.3Å; E240-G242 PolarHBondContact O-N 2.86Å; E240-V243 PolarHBondContact O-N 3.07Å; E240-E244 WeakPolarHBondContact O-CB 3.27Å; E240-E244 PolarHBondContact O-N 3.49Å; E240-K263 HydrophobicContact CG-CD 4.18Å; E240-K263 WeakPolarHBondContact OE2-CE 3.03Å; E240-K263 IonicContact OE2-NZ 3.71Å; E240-K263 PolarHBondContact OE2-NZ 3.36Å
241	S	92	Very high	93.1	Very high	15 Å²	15	34.8 Å²	34.8	11%	0.105	17%	0.167	C	C	.	.	H	α-helix	trans	-68.5	-27.5	-178.2	-38.8	0	0	0	0	112.4	E193 N237 A245	E193-S241 PolarHBondContact OE1-OG 3.06Å; N237-S241 WeakPolarHBondContact CA-OG 2.98Å; N237-S241 WeakPolarHBondContact O-CB 3.3Å; N237-S241 PolarHBondContact O-OG 3.38Å; S241-A245 WeakPolarHBondContact O-CB 3.28Å; S241-A245 PolarHBondContact O-N 3.15Å; S241-A245 VanDerWaalsContact O-N 3.15Å
242	G	93.5	Very high	92.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-71.8	-44.3	170.7	0	0	0	0	0	113.4	Y238 E240 A245 F246	Y238-G242 PolarHBondContact O-N 3.36Å; E240-G242 VanDerWaalsContact C-N 3.3Å; E240-G242 PolarHBondContact O-N 2.86Å; G242-A245 PolarHBondContact O-N 3.28Å; G242-F246 PolarHBondContact O-N 2.92Å; G242-F246 VanDerWaalsContact O-N 3.1Å
243	V	95.9	Very high	92.3	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-66	-38.4	172.8	164.6	0	0	0	0	111.5	T231 A233 G239 E240 F246 V247 F292	T231-V243 HydrophobicContact CG2-CG1 4.1Å; A233-V243 HydrophobicContact CB-CB 4.33Å; A233-V243 HydrophobicContact CB-CG2 3.9Å; G239-V243 WeakPolarHBondContact O-CB 3.47Å; G239-V243 WeakPolarHBondContact O-CG2 3.45Å; G239-V243 PolarHBondContact O-N 3.3Å; G239-V243 VanDerWaalsContact O-N 3.07Å; E240-V243 PolarHBondContact O-N 3.07Å; V243-F246 PolarHBondContact O-N 3.2Å; V243-V247 HydrophobicContact CG1-CG2 4.04Å; V243-V247 WeakPolarHBondContact O-CB 3.17Å; V243-V247 WeakPolarHBondContact O-CG2 3.32Å; V243-V247 PolarHBondContact O-N 3.19Å; V243-F292 HydrophobicContact CG2-CB 4.26Å; V243-F292 HydrophobicContact CG2-CD2 3.81Å; V243-F292 HydrophobicContact CG2-CG 4.43Å
244	E	95.1	Very high	91.7	Very high	140 Å²	140	47 Å²	47	65%	0.654	24%	0.238	S	C	*	.	H	α-helix	trans	-62	-43.8	176.4	-176.2	162.9	-142.3	0	0	111.7	E240 F246 V247 Q248	E240-E244 WeakPolarHBondContact O-CB 3.27Å; E240-E244 PolarHBondContact O-N 3.49Å; E244-F246 PolarHBondContact O-N 2.81Å; E244-V247 PolarHBondContact O-N 2.87Å; E244-Q248 WeakPolarHBondContact O-CB 3.43Å; E244-Q248 PolarHBondContact O-N 2.87Å
245	A	95.2	Very high	91.3	Very high	19 Å²	19	49.9 Å²	49.9	16%	0.157	27%	0.268	C	S	.	.	H	α-helix	trans	-58.4	-45.1	172.3	0	0	0	0	0	112.2	A214 S241 G242 Q248 I249	A214-A245 HydrophobicContact CB-CB 3.84Å; S241-A245 WeakPolarHBondContact O-CB 3.28Å; S241-A245 PolarHBondContact O-N 3.15Å; S241-A245 VanDerWaalsContact O-N 3.15Å; G242-A245 PolarHBondContact O-N 3.28Å; A245-Q248 PolarHBondContact O-N 2.86Å; A245-I249 VanDerWaalsContact O-CG1 3.27Å; A245-I249 WeakPolarHBondContact O-CG1 3.25Å; A245-I249 PolarHBondContact O-N 2.94Å
246	F	96.3	Very high	91.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-45	176.7	-178.4	-87.4	0	0	0	112.3	A214 M217 M218 V221 V229 T231 G242 V243 E244 Q248 I249 S250 I258 I290 F292	A214-F246 HydrophobicContact CB-CB 4.05Å; M217-F246 HydrophobicContact CB-CD2 4.12Å; M217-F246 HydrophobicContact CB-CE2 4.07Å; M218-F246 HydrophobicContact CB-CE2 4.21Å; M218-F246 HydrophobicContact CE-CD1 4.1Å; M218-F246 HydrophobicContact CE-CD2 3.91Å; M218-F246 HydrophobicContact CE-CE1 3.72Å; M218-F246 HydrophobicContact CE-CE2 3.53Å; M218-F246 HydrophobicContact CE-CG 4.18Å; M218-F246 HydrophobicContact CE-CZ 3.4Å; M218-F246 WeakPolarHBondContact CE-O 3.4Å; M218-F246 HydrophobicContact SD-CE2 4.31Å; M218-F246 HydrophobicContact SD-CZ 4.2Å; V221-F246 HydrophobicContact CG2-CE2 4.42Å; V221-F246 HydrophobicContact CG2-CZ 4.23Å; V229-F246 HydrophobicContact CG2-CE1 4.03Å; V229-F246 HydrophobicContact CG2-CZ 4.33Å; T231-F246 HydrophobicContact CG2-CD1 3.96Å; T231-F246 HydrophobicContact CG2-CE1 4.23Å; G242-F246 PolarHBondContact O-N 2.92Å; G242-F246 VanDerWaalsContact O-N 3.1Å; V243-F246 PolarHBondContact O-N 3.2Å; E244-F246 PolarHBondContact O-N 2.81Å; F246-Q248 VanDerWaalsContact C-N 3.29Å; F246-Q248 PolarHBondContact O-N 2.91Å; F246-I249 PolarHBondContact O-N 3.32Å; F246-S250 WeakPolarHBondContact O-CB 3.39Å; F246-S250 PolarHBondContact O-N 3.07Å; F246-I258 HydrophobicContact CD1-CD1 4.12Å; F246-I258 HydrophobicContact CE1-CD1 3.74Å; F246-I290 HydrophobicContact CD1-CG2 4.25Å; F246-I290 HydrophobicContact CD2-CG2 3.92Å; F246-I290 HydrophobicContact CE1-CB 4.43Å; F246-I290 HydrophobicContact CE1-CG1 3.94Å; F246-I290 HydrophobicContact CE1-CG2 4.24Å; F246-I290 HydrophobicContact CE2-CG1 4.28Å; F246-I290 HydrophobicContact CE2-CG2 3.88Å; F246-I290 HydrophobicContact CG-CG2 4.11Å; F246-I290 HydrophobicContact CZ-CB 4.42Å; F246-I290 HydrophobicContact CZ-CD1 4.2Å; F246-I290 HydrophobicContact CZ-CG1 3.71Å; F246-I290 HydrophobicContact CZ-CG2 4.07Å; F246-F292 HydrophobicContact CB-CE2 4.4Å
247	V	95.2	Very high	91.9	Very high	23 Å²	23	46.1 Å²	46.1	14%	0.139	25%	0.25	C	C	.	.	H	α-helix	trans	-63	-35.9	177.5	171.5	0	0	0	0	111.3	V243 E244 S250 R251 I258	V243-V247 HydrophobicContact CG1-CG2 4.04Å; V243-V247 WeakPolarHBondContact O-CB 3.17Å; V243-V247 WeakPolarHBondContact O-CG2 3.32Å; V243-V247 PolarHBondContact O-N 3.19Å; E244-V247 PolarHBondContact O-N 2.87Å; V247-S250 WeakPolarHBondContact O-CB 3.38Å; V247-R251 WeakPolarHBondContact O-CG 3.03Å; V247-R251 PolarHBondContact O-N 3.29Å; V247-I258 HydrophobicContact CG2-CD1 4.44Å; V247-I258 HydrophobicContact CG2-CG1 4.19Å
248	Q	94.4	Very high	92.3	Very high	82 Å²	82	46.1 Å²	46.1	38%	0.383	25%	0.249	S	C	.	.	H	α-helix	trans	-70	-48.9	177.3	-173.7	59.9	16.5	0	0	111.7	E244 A245 F246 S250 R251 E252	E244-Q248 WeakPolarHBondContact O-CB 3.43Å; E244-Q248 PolarHBondContact O-N 2.87Å; A245-Q248 PolarHBondContact O-N 2.86Å; F246-Q248 VanDerWaalsContact C-N 3.29Å; F246-Q248 PolarHBondContact O-N 2.91Å; Q248-S250 PolarHBondContact O-N 3.5Å; Q248-R251 WeakPolarHBondContact O-CB 3.36Å; Q248-R251 PolarHBondContact O-N 2.86Å; Q248-E252 WeakPolarHBondContact CG-OE1 3.32Å; Q248-E252 PolarHBondContact NE2-OE1 3.22Å; Q248-E252 PolarHBondContact O-N 2.95Å
249	I	94.6	Very high	92.6	Very high	19 Å²	19	45.8 Å²	45.8	10%	0.097	25%	0.253	C	S	.	.	H	α-helix	trans	-58.5	-36	175	-62.6	163.7	0	0	0	110.7	A214 Q215 M218 A245 F246 R251 E252 T253	A214-I249 HydrophobicContact CB-CD1 3.91Å; Q215-I249 HydrophobicContact CB-CD1 4.19Å; M218-I249 HydrophobicContact CB-CG2 4.04Å; M218-I249 HydrophobicContact CG-CG2 3.91Å; A245-I249 VanDerWaalsContact O-CG1 3.27Å; A245-I249 WeakPolarHBondContact O-CG1 3.25Å; A245-I249 PolarHBondContact O-N 2.94Å; F246-I249 PolarHBondContact O-N 3.32Å; I249-R251 VanDerWaalsContact C-N 3.29Å; I249-R251 PolarHBondContact O-N 3Å; I249-E252 PolarHBondContact O-N 2.85Å; I249-T253 VanDerWaalsContact O-CB 3.26Å; I249-T253 WeakPolarHBondContact O-CB 3.15Å; I249-T253 PolarHBondContact O-N 2.87Å; I249-T253 PolarHBondContact O-OG1 2.95Å
250	S	94.3	Very high	92.8	Very high	5 Å²	5	47.2 Å²	47.2	4%	0.035	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-33.5	175.5	-159.7	0	0	0	0	113	F246 V247 Q248 G254 V256	F246-S250 WeakPolarHBondContact O-CB 3.39Å; F246-S250 PolarHBondContact O-N 3.07Å; V247-S250 WeakPolarHBondContact O-CB 3.38Å; Q248-S250 PolarHBondContact O-N 3.5Å; S250-G254 WeakPolarHBondContact O-CA 3.44Å; S250-G254 PolarHBondContact O-N 2.8Å; S250-V256 PolarHBondContact OG-O 3.14Å
251	R	91.8	Very high	93	Very high	180 Å²	180	47.6 Å²	47.6	68%	0.679	27%	0.268	S	S	*	.	H	α-helix	trans	-81.1	-37.4	178.5	-69.4	164.1	175.4	170.2	-1.3	112.3	V247 Q248 I249	V247-R251 WeakPolarHBondContact O-CG 3.03Å; V247-R251 PolarHBondContact O-N 3.29Å; Q248-R251 WeakPolarHBondContact O-CB 3.36Å; Q248-R251 PolarHBondContact O-N 2.86Å; I249-R251 VanDerWaalsContact C-N 3.29Å; I249-R251 PolarHBondContact O-N 3Å
252	E	92	Very high	93.2	Very high	138 Å²	138	47.5 Å²	47.5	65%	0.645	27%	0.267	S	S	*	.	H	α-helix	trans	-74.3	-41.3	-179.5	-69.7	173.1	-178.2	0	0	112	Q248 I249	Q248-E252 WeakPolarHBondContact CG-OE1 3.32Å; Q248-E252 PolarHBondContact NE2-OE1 3.22Å; Q248-E252 PolarHBondContact O-N 2.95Å; I249-E252 PolarHBondContact O-N 2.85Å
253	T	87.6	Confident	93.3	Very high	89 Å²	89	53 Å²	53	55%	0.546	29%	0.291	S	S	.	.	H	α-helix	trans	-76.5	-35.1	177.2	-47.4	0	0	0	0	111.9	I249	I249-T253 VanDerWaalsContact O-CB 3.26Å; I249-T253 WeakPolarHBondContact O-CB 3.15Å; I249-T253 PolarHBondContact O-N 2.87Å; I249-T253 PolarHBondContact O-OG1 2.95Å
254	G	83.8	Confident	93.2	Very high	31 Å²	31	52.8 Å²	52.8	32%	0.32	29%	0.289	S	S	.	.			trans	70.4	-168.7	-168.1	0	0	0	0	0	112.7	S250 V256	S250-G254 WeakPolarHBondContact O-CA 3.44Å; S250-G254 PolarHBondContact O-N 2.8Å; G254-V256 PolarHBondContact O-N 2.89Å
255	G	84.4	Confident	93	Very high	64 Å²	64	48.1 Å²	48.1	66%	0.66	27%	0.271	S	S	*	.	S	Bend	trans	75.3	-31	177.8	0	0	0	0	0	116	N227	N227-G255 WeakPolarHBondContact CB-O 3.45Å
256	V	93.4	Very high	92.3	Very high	12 Å²	12	52.8 Å²	52.8	7%	0.073	28%	0.284	C	S	.	.			trans	-111.3	131.4	178.9	-175.3	0	0	0	0	110.9	M218 V221 V229 S250 G254	M218-V256 HydrophobicContact SD-CB 4.12Å; M218-V256 HydrophobicContact SD-CG1 4.46Å; M218-V256 HydrophobicContact SD-CG2 3.82Å; V221-V256 HydrophobicContact CG1-CG1 3.98Å; V221-V256 HydrophobicContact CG1-CG2 3.99Å; V229-V256 HydrophobicContact CG1-CG1 4.19Å; V229-V256 HydrophobicContact CG2-CG1 3.98Å; S250-V256 PolarHBondContact OG-O 3.14Å; G254-V256 PolarHBondContact O-N 2.89Å
257	C	93.9	Very high	91.6	Very high	11 Å²	11	57.1 Å²	57.1	7%	0.074	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	139.5	175	-70.7	0	0	0	0	112.1	N227 Y228 V229 V544 C546	N227-C257 PolarHBondContact O-N 3.02Å; Y228-C257 WeakPolarHBondContact CA-O 3.13Å; Y228-C257 HydrophobicContact CD2-CB 4.08Å; V229-C257 PolarHBondContact N-O 3.41Å; C257-V544 HydrophobicContact CB-CG1 4.19Å; C257-C546 HydrophobicContact CB-CB 3.65Å; C257-C546 WeakPolarHBondContact CB-SG 3.46Å; C257-C546 PolarHBondContact N-SG 3.23Å; C257-C546 VanDerWaalsContact N-SG 3.4Å; C257-C546 WeakPolarHBondContact SG-CB 3.26Å; C257-C546 PolarHBondContact SG-N 2.82Å; C257-C546 CovalentContact SG-SG 2.04Å; C257-C546 PolarHBondContact SG-SG 3.47Å
258	I	94.9	Very high	91.1	Very high	45 Å²	45	57.6 Å²	57.6	23%	0.231	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117	174.8	-46.3	-60.2	0	0	0	108.9	V229 T231 F246 V247	V229-I258 HydrophobicContact CG2-CD1 3.81Å; V229-I258 CarbonylContact O-C 3.59Å; V229-I258 WeakPolarHBondContact O-CA 3.35Å; T231-I258 HydrophobicContact CG2-CD1 4.22Å; T231-I258 HydrophobicContact CG2-CG2 4.26Å; F246-I258 HydrophobicContact CD1-CD1 4.12Å; F246-I258 HydrophobicContact CE1-CD1 3.74Å; V247-I258 HydrophobicContact CG2-CD1 4.44Å; V247-I258 HydrophobicContact CG2-CG1 4.19Å
259	A	93.8	Very high	90.8	Very high	24 Å²	24	63.6 Å²	63.6	20%	0.198	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-47.4	178.1	0	0	0	0	0	111.8	Y228 V229 T283 A286	Y228-A259 HydrophobicContact CD1-CB 4.24Å; Y228-A259 HydrophobicContact CD2-CB 4.04Å; Y228-A259 HydrophobicContact CE1-CB 3.71Å; Y228-A259 HydrophobicContact CE2-CB 3.49Å; Y228-A259 VanDerWaalsContact CE2-CB 3.49Å; Y228-A259 HydrophobicContact CG-CB 4.39Å; V229-A259 PolarHBondContact O-N 2.99Å; A259-T283 HydrophobicContact CB-CG2 4.33Å; A259-A286 HydrophobicContact CB-CB 3.39Å
260	Q	94.1	Very high	90.4	Very high	31 Å²	31	70.2 Å²	70.2	15%	0.145	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	156.6	174.5	59.3	-178.5	-68.1	0	0	110.4	S230 T231 L262 R279 L280 T283	S230-Q260 WeakPolarHBondContact CA-O 3.44Å; T231-Q260 PolarHBondContact N-O 3.14Å; Q260-L262 HydrophobicContact CG-CG 4.49Å; Q260-R279 PolarHBondContact NE2-O 2.81Å; Q260-R279 PolarHBondContact OE1-O 2.86Å; Q260-L280 HydrophobicContact CG-CD2 4.4Å; Q260-T283 PolarHBondContact NE2-OG1 3.3Å
261	S	95.9	Very high	90.3	Very high	64 Å²	64	71.6 Å²	71.6	45%	0.448	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	115.4	173.2	-176.2	0	0	0	0	109.2	T231	T231-S261 VanDerWaalsContact OG1-CA 3.26Å; T231-S261 WeakPolarHBondContact OG1-CA 3.19Å; T231-S261 WeakPolarHBondContact OG1-CB 3.44Å; T231-S261 PolarHBondContact OG1-OG 2.82Å
262	L	96.7	Very high	90.4	Very high	14 Å²	14	64.9 Å²	64.9	7%	0.073	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	148.2	-177.7	-63.9	-175.5	0	0	0	111.2	T231 L232 A233 Q260 I276 R279 L280	T231-L262 PolarHBondContact O-N 3.26Å; L232-L262 WeakPolarHBondContact CA-O 3.16Å; L232-L262 HydrophobicContact CD1-CB 3.73Å; A233-L262 PolarHBondContact N-O 3.23Å; Q260-L262 HydrophobicContact CG-CG 4.49Å; L262-I276 HydrophobicContact CD1-CG2 3.94Å; L262-R279 HydrophobicContact CD1-CB 3.82Å; L262-R279 HydrophobicContact CD2-CB 4.26Å; L262-L280 HydrophobicContact CD1-CD2 3.66Å; L262-L280 HydrophobicContact CD1-CG 3.89Å; L262-L280 HydrophobicContact CG-CD2 4.47Å
263	K	95.6	Very high	90.5	Very high	116 Å²	116	59.1 Å²	59.1	50%	0.504	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	136.7	176.8	-61.5	-174.4	-178.5	-178.4	0	110.6	A233 E240	A233-K263 CarbonylContact O-C 3.57Å; A233-K263 VanDerWaalsContact O-CA 3.31Å; A233-K263 WeakPolarHBondContact O-CA 3.47Å; E240-K263 HydrophobicContact CG-CD 4.18Å; E240-K263 WeakPolarHBondContact OE2-CE 3.03Å; E240-K263 IonicContact OE2-NZ 3.71Å; E240-K263 PolarHBondContact OE2-NZ 3.36Å
264	I	94.4	Very high	90.9	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	116	172.5	-48	176.1	0	0	0	107.2	L232 A233 E235 F273 I276 A293 D297 V301	L232-I264 HydrophobicContact CD1-CD1 4.18Å; L232-I264 HydrophobicContact CD1-CG1 3.75Å; L232-I264 HydrophobicContact CD2-CD1 4.24Å; L232-I264 HydrophobicContact CG-CD1 4.09Å; L232-I264 HydrophobicContact CG-CG1 4.19Å; A233-I264 PolarHBondContact O-N 3.34Å; E235-I264 VanDerWaalsContact CB-O 3.26Å; E235-I264 WeakPolarHBondContact CB-O 3.49Å; E235-I264 PolarHBondContact N-O 3.45Å; I264-F273 HydrophobicContact CD1-CE1 4.49Å; I264-F273 HydrophobicContact CG2-CE1 3.66Å; I264-F273 HydrophobicContact CG2-CZ 3.86Å; I264-I276 HydrophobicContact CB-CD1 4.47Å; I264-I276 HydrophobicContact CG1-CD1 4.01Å; I264-A293 HydrophobicContact CD1-CB 3.98Å; I264-D297 HydrophobicContact CD1-CB 3.83Å; I264-D297 HydrophobicContact CG2-CB 4.39Å; I264-V301 HydrophobicContact CD1-CG2 3.83Å
265	P	90.6	Very high	91.5	Very high	43 Å²	43	58.7 Å²	58.7	28%	0.279	32%	0.316	S	S	.	.			trans	-64	148.2	-179.3	-22.3	33.7	0	0	0	112.9	E235 E267 P268 E272	E235-P265 WeakPolarHBondContact OE2-CA 3.3Å; P265-E267 PolarHBondContact O-N 3.01Å; P265-P268 VanDerWaalsContact O-CD 3.29Å; P265-P268 WeakPolarHBondContact O-CD 3.29Å; P265-E272 HydrophobicContact CG-CG 4.42Å
266	R	80.6	Confident	92	Very high	116 Å²	116	55.8 Å²	55.8	44%	0.438	29%	0.286	S	S	.	.	S	Bend	trans	-59.7	-26.1	178	-71.3	-173.8	-177.5	-164.2	9.4	114.2	D120 E235	D120-R266 IonicContact OD2-NH1 3.35Å; D120-R266 PolarHBondContact OD2-NH1 3.04Å; E235-R266 HydrophobicContact CB-CG 3.93Å; E235-R266 HydrophobicContact CG-CG 3.94Å; E235-R266 VanDerWaalsContact O-CG 3.24Å; E235-R266 WeakPolarHBondContact O-CG 3.47Å; E235-R266 PolarHBondContact O-NE 2.92Å; E235-R266 VanDerWaalsContact O-NE 3.08Å; E235-R266 PolarHBondContact OE2-N 3.35Å
267	E	81.4	Confident	92.2	Very high	91 Å²	91	55.3 Å²	55.3	43%	0.425	28%	0.283	S	S	.	.	S	Bend	trans	-127.1	78.7	172.4	-75.3	-179.7	-146.6	0	0	108.8	R68 R71 P265 R269	R68-E267 IonicContact CZ-OE1 2.73Å; R68-E267 IonicContact NH1-OE1 2.64Å; R68-E267 IonicContact NH2-OE1 2.95Å; R68-E267 PolarHBondContact NH2-OE1 3.49Å; R71-E267 IonicContact CZ-OE2 3.32Å; R71-E267 IonicContact NE-OE2 2.61Å; R71-E267 PolarHBondContact NE-OE2 2.89Å; R71-E267 IonicContact NH2-OE2 3.75Å; R71-E267 PolarHBondContact NH2-OE2 3.44Å; P265-E267 PolarHBondContact O-N 3.01Å; E267-R269 PolarHBondContact O-N 2.88Å
268	P	84.3	Confident	92.3	Very high	33 Å²	33	62.3 Å²	62.3	21%	0.214	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-72.9	130.4	-172.7	29.7	-32.2	0	0	0	110.4	P265 F273	P265-P268 VanDerWaalsContact O-CD 3.29Å; P265-P268 WeakPolarHBondContact O-CD 3.29Å; P268-F273 HydrophobicContact CB-CD2 4.5Å; P268-F273 HydrophobicContact CB-CE2 3.68Å; P268-F273 HydrophobicContact CB-CZ 4.05Å; P268-F273 HydrophobicContact CG-CE2 3.66Å; P268-F273 HydrophobicContact CG-CZ 3.87Å
269	R	88.6	Confident	92.4	Very high	208 Å²	208	65.2 Å²	65.2	79%	0.785	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-75.6	157.9	177.4	-59.9	-177.6	-172.5	179.8	2.6	110.8	E267 G271 E272	E267-R269 PolarHBondContact O-N 2.88Å; R269-G271 PolarHBondContact O-N 2.72Å; R269-E272 VanDerWaalsContact O-CB 3.29Å; R269-E272 WeakPolarHBondContact O-CB 3.39Å; R269-E272 PolarHBondContact O-N 3.03Å
270	V	87.1	Confident	92.5	Very high	159 Å²	159	64 Å²	64	96%	0.964	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	128.3	173.2	-176.3	0	0	0	0	109.8
271	G	90.6	Very high	92.6	Very high	34 Å²	34	65.4 Å²	65.4	35%	0.351	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	-3.3	-178.9	0	0	0	0	0	116.4	R269 D274 K275	R269-G271 PolarHBondContact O-N 2.72Å; G271-D274 PolarHBondContact O-N 3.17Å; G271-K275 PolarHBondContact O-N 3.03Å; G271-K275 VanDerWaalsContact O-N 3.12Å
272	E	94	Very high	92.5	Very high	38 Å²	38	69.3 Å²	69.3	18%	0.178	32%	0.324	C	S	.	.	H	α-helix	trans	-69.2	-35.3	-179.9	-168.4	62.7	-151	0	0	112	P265 R269 K275 I276	P265-E272 HydrophobicContact CG-CG 4.42Å; R269-E272 VanDerWaalsContact O-CB 3.29Å; R269-E272 WeakPolarHBondContact O-CB 3.39Å; R269-E272 PolarHBondContact O-N 3.03Å; E272-K275 WeakPolarHBondContact O-CB 3.38Å; E272-K275 PolarHBondContact O-N 2.7Å; E272-K275 WeakPolarHBondContact OE1-CE 3.33Å; E272-K275 IonicContact OE1-NZ 3.01Å; E272-K275 PolarHBondContact OE1-NZ 2.74Å; E272-K275 WeakPolarHBondContact OE2-CD 3.45Å; E272-K275 IonicContact OE2-NZ 2.75Å; E272-K275 PolarHBondContact OE2-NZ 3.38Å; E272-I276 WeakPolarHBondContact O-CG1 3.41Å; E272-I276 PolarHBondContact O-N 2.72Å
273	F	95	Very high	92.3	Very high	18 Å²	18	70.1 Å²	70.1	8%	0.079	33%	0.33	C	S	.	.	H	α-helix	trans	-63.5	-41.5	173.4	-67.5	-83.7	0	0	0	112.2	I264 P268 K275 I276 I277 R300 V301 A304	I264-F273 HydrophobicContact CD1-CE1 4.49Å; I264-F273 HydrophobicContact CG2-CE1 3.66Å; I264-F273 HydrophobicContact CG2-CZ 3.86Å; P268-F273 HydrophobicContact CB-CD2 4.5Å; P268-F273 HydrophobicContact CB-CE2 3.68Å; P268-F273 HydrophobicContact CB-CZ 4.05Å; P268-F273 HydrophobicContact CG-CE2 3.66Å; P268-F273 HydrophobicContact CG-CZ 3.87Å; F273-K275 PolarHBondContact O-N 3.43Å; F273-I276 WeakPolarHBondContact O-CB 3.46Å; F273-I276 PolarHBondContact O-N 2.96Å; F273-I276 VanDerWaalsContact O-N 3.14Å; F273-I277 PolarHBondContact O-N 3.35Å; F273-R300 HydrophobicContact CD1-CB 3.78Å; F273-R300 HydrophobicContact CD2-CB 4.07Å; F273-R300 HydrophobicContact CE1-CB 3.56Å; F273-R300 HydrophobicContact CE2-CB 3.87Å; F273-R300 HydrophobicContact CE2-CG 4.33Å; F273-R300 HydrophobicContact CG-CB 4.04Å; F273-R300 HydrophobicContact CZ-CB 3.61Å; F273-R300 HydrophobicContact CZ-CG 4.24Å; F273-V301 HydrophobicContact CD1-CG2 3.75Å; F273-V301 HydrophobicContact CE1-CG2 4.02Å; F273-A304 HydrophobicContact CB-CB 3.76Å
274	D	95.4	Very high	92.1	Very high	37 Å²	37	67.1 Å²	67.1	20%	0.198	32%	0.323	C	S	.	.	H	α-helix	trans	-70.8	-18.6	176.8	-45.1	-89.3	0	0	0	112.3	G271 R278 R307	G271-D274 PolarHBondContact O-N 3.17Å; D274-R278 WeakPolarHBondContact O-CG 3.46Å; D274-R278 PolarHBondContact O-N 2.74Å; D274-R278 PolarHBondContact O-NE 3.33Å; D274-R307 VanDerWaalsContact CG-NH2 3.27Å; D274-R307 IonicContact OD1-CZ 3.81Å; D274-R307 VanDerWaalsContact OD1-CZ 3.27Å; D274-R307 IonicContact OD1-NE 3.88Å; D274-R307 PolarHBondContact OD1-NE 3.23Å; D274-R307 IonicContact OD1-NH2 3.84Å; D274-R307 PolarHBondContact OD1-NH2 3.11Å; D274-R307 IonicContact OD2-NH2 2.84Å; D274-R307 PolarHBondContact OD2-NH2 3.39Å
275	K	95.9	Very high	92	Very high	73 Å²	73	71.3 Å²	71.3	32%	0.317	35%	0.346	S	S	.	.	H	α-helix	trans	-81	-35.1	169	171.9	179.3	159.3	-137.2	0	112	G271 E272 F273 R278 R279	G271-K275 PolarHBondContact O-N 3.03Å; G271-K275 VanDerWaalsContact O-N 3.12Å; E272-K275 WeakPolarHBondContact O-CB 3.38Å; E272-K275 PolarHBondContact O-N 2.7Å; E272-K275 WeakPolarHBondContact OE1-CE 3.33Å; E272-K275 IonicContact OE1-NZ 3.01Å; E272-K275 PolarHBondContact OE1-NZ 2.74Å; E272-K275 WeakPolarHBondContact OE2-CD 3.45Å; E272-K275 IonicContact OE2-NZ 2.75Å; E272-K275 PolarHBondContact OE2-NZ 3.38Å; F273-K275 PolarHBondContact O-N 3.43Å; K275-R278 PolarHBondContact O-N 2.71Å; K275-R279 WeakPolarHBondContact O-CG 3.47Å; K275-R279 PolarHBondContact O-N 2.99Å
276	I	96.8	Very high	92.2	Very high	4 Å²	4	69.3 Å²	69.3	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-62.2	-47.8	170.9	-71.7	167.4	0	0	0	110.3	L232 L262 I264 E272 F273 R278 R279 L280	L232-I276 HydrophobicContact CD1-CG2 3.89Å; L232-I276 HydrophobicContact CD2-CG2 4.33Å; L262-I276 HydrophobicContact CD1-CG2 3.94Å; I264-I276 HydrophobicContact CB-CD1 4.47Å; I264-I276 HydrophobicContact CG1-CD1 4.01Å; E272-I276 WeakPolarHBondContact O-CG1 3.41Å; E272-I276 PolarHBondContact O-N 2.72Å; F273-I276 WeakPolarHBondContact O-CB 3.46Å; F273-I276 PolarHBondContact O-N 2.96Å; F273-I276 VanDerWaalsContact O-N 3.14Å; I276-R278 PolarHBondContact O-N 2.95Å; I276-R279 WeakPolarHBondContact O-CB 3.49Å; I276-R279 PolarHBondContact O-N 2.82Å; I276-R279 VanDerWaalsContact O-N 3.17Å; I276-L280 PolarHBondContact O-N 3.44Å
277	I	97.1	Very high	92.9	Very high	2 Å²	2	66.8 Å²	66.8	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-61.1	-43.1	177	-61.1	-57.1	0	0	0	111.8	F273 R279 L280 M281 V301 A304 A305 Q310 F314 W316	F273-I277 PolarHBondContact O-N 3.35Å; I277-R279 VanDerWaalsContact C-N 3.32Å; I277-R279 PolarHBondContact O-N 3.49Å; I277-L280 HydrophobicContact CD1-CD1 4.39Å; I277-L280 PolarHBondContact O-N 2.93Å; I277-M281 WeakPolarHBondContact O-CG 3.44Å; I277-M281 PolarHBondContact O-N 3.29Å; I277-M281 VanDerWaalsContact O-N 3.1Å; I277-V301 HydrophobicContact CD1-CG1 4.23Å; I277-A304 HydrophobicContact CG1-CB 3.78Å; I277-A305 HydrophobicContact CD1-CB 3.86Å; I277-A305 HydrophobicContact CG1-CB 4.39Å; I277-Q310 HydrophobicContact CG2-CG 4.18Å; I277-F314 HydrophobicContact CD1-CE2 4.45Å; I277-F314 HydrophobicContact CG2-CE2 4.19Å; I277-W316 HydrophobicContact CD1-CH2 4.46Å
278	R	96	Very high	93.7	Very high	158 Å²	158	62.4 Å²	62.4	60%	0.596	30%	0.303	S	S	*	.	H	α-helix	trans	-59.3	-40.7	174.9	-80.1	178.2	-70.2	161.2	-2.5	112.7	D274 K275 I276 M281 E282	D274-R278 WeakPolarHBondContact O-CG 3.46Å; D274-R278 PolarHBondContact O-N 2.74Å; D274-R278 PolarHBondContact O-NE 3.33Å; K275-R278 PolarHBondContact O-N 2.71Å; I276-R278 PolarHBondContact O-N 2.95Å; R278-M281 WeakPolarHBondContact O-CB 3.37Å; R278-M281 PolarHBondContact O-N 2.89Å; R278-E282 PolarHBondContact O-N 2.87Å
279	R	96.6	Very high	94.3	Very high	105 Å²	105	60.9 Å²	60.9	40%	0.396	29%	0.293	S	S	.	.	H	α-helix	trans	-63.5	-43.2	174.4	-78.6	175.8	167.9	-174.3	-7.8	112.6	Q260 L262 K275 I276 I277 M281 E282	Q260-R279 PolarHBondContact NE2-O 2.81Å; Q260-R279 PolarHBondContact OE1-O 2.86Å; L262-R279 HydrophobicContact CD1-CB 3.82Å; L262-R279 HydrophobicContact CD2-CB 4.26Å; K275-R279 WeakPolarHBondContact O-CG 3.47Å; K275-R279 PolarHBondContact O-N 2.99Å; I276-R279 WeakPolarHBondContact O-CB 3.49Å; I276-R279 PolarHBondContact O-N 2.82Å; I276-R279 VanDerWaalsContact O-N 3.17Å; I277-R279 VanDerWaalsContact C-N 3.32Å; I277-R279 PolarHBondContact O-N 3.49Å; R279-M281 PolarHBondContact O-N 3.34Å; R279-E282 WeakPolarHBondContact CG-OE1 3.29Å; R279-E282 VanDerWaalsContact O-CB 3.24Å; R279-E282 WeakPolarHBondContact O-CB 3.42Å; R279-E282 PolarHBondContact O-N 3.39Å
280	L	96.3	Very high	94.8	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.3	-34.7	174.3	-66.6	179.8	0	0	0	112.2	Q260 L262 I276 I277 E282 T283 I289 F314	Q260-L280 HydrophobicContact CG-CD2 4.4Å; L262-L280 HydrophobicContact CD1-CD2 3.66Å; L262-L280 HydrophobicContact CD1-CG 3.89Å; L262-L280 HydrophobicContact CG-CD2 4.47Å; I276-L280 PolarHBondContact O-N 3.44Å; I277-L280 HydrophobicContact CD1-CD1 4.39Å; I277-L280 PolarHBondContact O-N 2.93Å; L280-E282 VanDerWaalsContact C-N 3.31Å; L280-E282 PolarHBondContact O-N 3.15Å; L280-T283 CarbonylContact O-C 3.52Å; L280-T283 PolarHBondContact O-N 3.17Å; L280-I289 HydrophobicContact CD1-CD1 4.05Å; L280-I289 HydrophobicContact CD1-CG1 4.41Å; L280-I289 HydrophobicContact CD1-CG2 4.45Å; L280-I289 HydrophobicContact CD2-CD1 3.95Å; L280-I289 HydrophobicContact CG-CD1 4.46Å; L280-F314 HydrophobicContact CB-CE1 3.66Å; L280-F314 HydrophobicContact CB-CZ 3.61Å; L280-F314 HydrophobicContact CD1-CE1 4.37Å; L280-F314 HydrophobicContact CD1-CZ 4.3Å
281	M	95.7	Very high	95.2	Very high	60 Å²	60	43.4 Å²	43.4	30%	0.296	21%	0.21	S	C	.	.	H	α-helix	trans	-71	-18.1	174	-61.8	-53.4	-61	0	0	114.5	I277 R278 R279 T283 S284 Q310 H313 F314	I277-M281 WeakPolarHBondContact O-CG 3.44Å; I277-M281 PolarHBondContact O-N 3.29Å; I277-M281 VanDerWaalsContact O-N 3.1Å; R278-M281 WeakPolarHBondContact O-CB 3.37Å; R278-M281 PolarHBondContact O-N 2.89Å; R279-M281 PolarHBondContact O-N 3.34Å; M281-T283 PolarHBondContact O-N 3.21Å; M281-S284 PolarHBondContact O-N 2.92Å; M281-Q310 VanDerWaalsContact CE-OE1 3.28Å; M281-Q310 HydrophobicContact CG-CG 4.42Å; M281-Q310 HydrophobicContact SD-CG 3.91Å; M281-Q310 PolarHBondContact SD-OE1 3.16Å; M281-Q310 VanDerWaalsContact SD-OE1 3.42Å; M281-H313 PolarHBondContact SD-CD2 2.82Å; M281-F314 HydrophobicContact CG-CZ 4.26Å; M281-F314 HydrophobicContact SD-CE1 4.05Å; M281-F314 HydrophobicContact SD-CE2 4.17Å; M281-F314 HydrophobicContact SD-CZ 3.45Å; M281-F314 WeakPolarHBondContact SD-CZ 3.33Å
282	E	94.9	Very high	95.5	Very high	146 Å²	146	41.8 Å²	41.8	68%	0.682	19%	0.193	S	C	*	.	H	α-helix	trans	-64.1	-22.5	172.7	-63	167.2	-154.9	0	0	111.5	R278 R279 L280	R278-E282 PolarHBondContact O-N 2.87Å; R279-E282 WeakPolarHBondContact CG-OE1 3.29Å; R279-E282 VanDerWaalsContact O-CB 3.24Å; R279-E282 WeakPolarHBondContact O-CB 3.42Å; R279-E282 PolarHBondContact O-N 3.39Å; L280-E282 VanDerWaalsContact C-N 3.31Å; L280-E282 PolarHBondContact O-N 3.15Å
283	T	92.2	Very high	95.4	Very high	30 Å²	30	40 Å²	40	18%	0.184	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	54.9	172.6	63.7	0	0	0	0	111.4	A259 Q260 L280 M281 N285 A286	A259-T283 HydrophobicContact CB-CG2 4.33Å; Q260-T283 PolarHBondContact NE2-OG1 3.3Å; L280-T283 CarbonylContact O-C 3.52Å; L280-T283 PolarHBondContact O-N 3.17Å; M281-T283 PolarHBondContact O-N 3.21Å; T283-N285 PolarHBondContact O-N 2.82Å; T283-A286 WeakPolarHBondContact O-CB 3.33Å; T283-A286 PolarHBondContact O-N 3.44Å
284	S	91.5	Very high	95.1	Very high	53 Å²	53	42.7 Å²	42.7	37%	0.371	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-15.9	-175.1	57.6	0	0	0	0	116.7	M281 A286 H313	M281-S284 PolarHBondContact O-N 2.92Å; S284-A286 VanDerWaalsContact C-N 3.34Å; S284-H313 PolarHBondContact O-CE1 3.2Å; S284-H313 VanDerWaalsContact O-CE1 3.27Å; S284-H313 PolarHBondContact O-NE2 2.83Å
285	N	92.1	Very high	94.6	Very high	90 Å²	90	41.6 Å²	41.6	48%	0.481	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-26.1	169.8	-74.5	5.7	0	0	0	113	Y228 T283 R287 C528	Y228-N285 HydrophobicContact CD1-CB 4.23Å; Y228-N285 HydrophobicContact CE1-CB 4.29Å; T283-N285 PolarHBondContact O-N 2.82Å; N285-R287 PolarHBondContact O-N 2.95Å; N285-C528 PolarHBondContact ND2-O 2.87Å
286	A	95	Very high	94	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	20%	0.2	C	C	.	.			trans	-85.1	61.9	178.6	0	0	0	0	0	111.1	Y228 S230 A259 T283 S284 A288	Y228-A286 HydrophobicContact CD1-CB 3.6Å; Y228-A286 HydrophobicContact CE1-CB 3.77Å; Y228-A286 HydrophobicContact CG-CB 4.28Å; S230-A286 WeakPolarHBondContact OG-CB 3.39Å; A259-A286 HydrophobicContact CB-CB 3.39Å; T283-A286 WeakPolarHBondContact O-CB 3.33Å; T283-A286 PolarHBondContact O-N 3.44Å; S284-A286 VanDerWaalsContact C-N 3.34Å; A286-A288 VanDerWaalsContact C-N 3.28Å; A286-A288 PolarHBondContact O-N 3.04Å
287	R	95.2	Very high	93.7	Very high	62 Å²	62	42.7 Å²	42.7	23%	0.234	20%	0.203	C	C	.	.			trans	-62.4	-32.9	-175.5	-63.5	-177.3	64.8	-162.1	-1.1	113	N285 G312 H313 F314 L315 S526	N285-R287 PolarHBondContact O-N 2.95Å; R287-G312 PolarHBondContact NH2-O 3.33Å; R287-H313 PolarHBondContact NE-O 3.46Å; R287-H313 PolarHBondContact NH2-O 3.11Å; R287-F314 CarbonylContact O-C 3.47Å; R287-F314 WeakPolarHBondContact O-CA 3.36Å; R287-L315 HydrophobicContact CB-CD1 3.95Å; R287-L315 HydrophobicContact CB-CG 4.21Å; R287-L315 PolarHBondContact O-N 2.93Å; R287-S526 PolarHBondContact N-OG 3.32Å
288	A	96.8	Very high	93.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	122	178.9	0	0	0	0	0	111.9	W226 V229 S230 A286 L315 S526	W226-A288 HydrophobicContact CD2-CB 3.84Å; W226-A288 HydrophobicContact CE3-CB 3.39Å; W226-A288 HydrophobicContact CG-CB 4.48Å; W226-A288 HydrophobicContact CH2-CB 4.44Å; W226-A288 HydrophobicContact CZ3-CB 3.73Å; V229-A288 WeakPolarHBondContact CA-O 3.49Å; V229-A288 HydrophobicContact CB-CB 4.32Å; V229-A288 HydrophobicContact CG1-CB 3.92Å; S230-A288 PolarHBondContact N-O 2.03Å; A286-A288 VanDerWaalsContact C-N 3.28Å; A286-A288 PolarHBondContact O-N 3.04Å; A288-L315 CarbonylContact C-O 3.47Å; A288-L315 WeakPolarHBondContact CA-O 3.22Å; A288-S526 WeakPolarHBondContact CB-OG 3.42Å; A288-S526 PolarHBondContact N-OG 3.38Å
289	I	97.9	Very high	93.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	110.2	-176.7	-48.9	-58.9	0	0	0	109.9	S230 L232 L280 F314 L315 W316 V317	S230-I289 WeakPolarHBondContact O-CA 3.46Å; L232-I289 HydrophobicContact CB-CG2 4.27Å; L280-I289 HydrophobicContact CD1-CD1 4.05Å; L280-I289 HydrophobicContact CD1-CG1 4.41Å; L280-I289 HydrophobicContact CD1-CG2 4.45Å; L280-I289 HydrophobicContact CD2-CD1 3.95Å; L280-I289 HydrophobicContact CG-CD1 4.46Å; I289-F314 HydrophobicContact CD1-CD1 3.79Å; I289-F314 HydrophobicContact CD1-CE1 4.23Å; I289-F314 HydrophobicContact CG1-CB 4Å; I289-F314 HydrophobicContact CG1-CD1 3.76Å; I289-F314 HydrophobicContact CG1-CG 4.08Å; I289-L315 PolarHBondContact N-O 2.85Å; I289-W316 HydrophobicContact CB-CE3 3.82Å; I289-W316 HydrophobicContact CB-CZ3 4.06Å; I289-W316 HydrophobicContact CG1-CE3 4.16Å; I289-W316 HydrophobicContact CG1-CZ3 4.08Å; I289-W316 HydrophobicContact CG2-CE3 4.01Å; I289-W316 HydrophobicContact CG2-CZ3 3.94Å; I289-V317 PolarHBondContact O-N 2.88Å
290	I	98.1	Very high	93.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	113.4	-179.5	-46.5	-54.4	0	0	0	108.7	M217 V221 V229 S230 T231 L232 F246 F292 V317	M217-I290 HydrophobicContact CE-CG2 3.8Å; M217-I290 HydrophobicContact SD-CG2 4.36Å; V221-I290 HydrophobicContact CG2-CD1 3.49Å; V221-I290 VanDerWaalsContact CG2-CD1 3.49Å; V229-I290 HydrophobicContact CB-CG1 4.14Å; V229-I290 HydrophobicContact CG2-CG1 4.02Å; S230-I290 PolarHBondContact O-N 2.98Å; T231-I290 CarbonylContact C-O 3.52Å; T231-I290 WeakPolarHBondContact CA-O 3.2Å; T231-I290 HydrophobicContact CG2-CB 4.16Å; L232-I290 PolarHBondContact N-O 3.34Å; F246-I290 HydrophobicContact CD1-CG2 4.25Å; F246-I290 HydrophobicContact CD2-CG2 3.92Å; F246-I290 HydrophobicContact CE1-CB 4.43Å; F246-I290 HydrophobicContact CE1-CG1 3.94Å; F246-I290 HydrophobicContact CE1-CG2 4.24Å; F246-I290 HydrophobicContact CE2-CG1 4.28Å; F246-I290 HydrophobicContact CE2-CG2 3.88Å; F246-I290 HydrophobicContact CG-CG2 4.11Å; F246-I290 HydrophobicContact CZ-CB 4.42Å; F246-I290 HydrophobicContact CZ-CD1 4.2Å; F246-I290 HydrophobicContact CZ-CG1 3.71Å; F246-I290 HydrophobicContact CZ-CG2 4.07Å; I290-F292 HydrophobicContact CG2-CE2 4.32Å; I290-V317 HydrophobicContact CD1-CB 3.85Å; I290-V317 HydrophobicContact CD1-CG2 3.74Å
291	M	97	Very high	93.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	112.9	-164.9	-175.6	161.9	52.4	0	0	113.5	L232 A293 I298 W316 V317 S319 W322	L232-M291 HydrophobicContact CB-CG 4.43Å; L232-M291 HydrophobicContact CD2-SD 3.91Å; L232-M291 WeakPolarHBondContact O-CA 3.36Å; M291-A293 HydrophobicContact CG-CB 3.62Å; M291-A293 HydrophobicContact SD-CB 4.05Å; M291-I298 HydrophobicContact CE-CB 4.42Å; M291-I298 HydrophobicContact CE-CG1 3.92Å; M291-I298 HydrophobicContact CE-CG2 3.94Å; M291-I298 HydrophobicContact CG-CG1 4.44Å; M291-I298 HydrophobicContact SD-CG1 3.93Å; M291-W316 HydrophobicContact CE-CE3 4.22Å; M291-V317 PolarHBondContact N-O 2.93Å; M291-S319 PolarHBondContact O-N 2.94Å; M291-S319 VanDerWaalsContact O-N 3.17Å; M291-W322 HydrophobicContact CE-CE3 3.63Å; M291-W322 HydrophobicContact CE-CZ3 3.42Å; M291-W322 VanDerWaalsContact CE-CZ3 3.42Å
292	F	96.1	Very high	93.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	76.3	166.1	-68.7	-99.8	0	0	0	108.7	D210 Q213 A214 M217 L232 A233 S234 G239 V243 F246 I290	D210-F292 HydrophobicContact CB-CE1 4.37Å; Q213-F292 HydrophobicContact CB-CE1 4.01Å; Q213-F292 HydrophobicContact CB-CZ 4.35Å; A214-F292 HydrophobicContact CB-CZ 4.2Å; M217-F292 HydrophobicContact CE-CE2 4.3Å; M217-F292 HydrophobicContact SD-CD2 4.41Å; M217-F292 HydrophobicContact SD-CE1 4.18Å; M217-F292 HydrophobicContact SD-CE2 3.56Å; M217-F292 VanDerWaalsContact SD-CE2 3.56Å; M217-F292 HydrophobicContact SD-CZ 3.42Å; M217-F292 WeakPolarHBondContact SD-CZ 3.34Å; L232-F292 PolarHBondContact O-N 2.92Å; A233-F292 WeakPolarHBondContact CA-O 3.44Å; S234-F292 PolarHBondContact N-O 3.42Å; G239-F292 WeakPolarHBondContact CA-O 3.4Å; V243-F292 HydrophobicContact CG2-CB 4.26Å; V243-F292 HydrophobicContact CG2-CD2 3.81Å; V243-F292 HydrophobicContact CG2-CG 4.43Å; F246-F292 HydrophobicContact CB-CE2 4.4Å; I290-F292 HydrophobicContact CG2-CE2 4.32Å
293	A	92.8	Very high	93.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.			trans	-121.7	162.7	-177.1	0	0	0	0	0	111.4	S234 I264 M291 D297 I298 S321	S234-A293 VanDerWaalsContact OG-CA 3.26Å; S234-A293 WeakPolarHBondContact OG-CA 3.48Å; S234-A293 WeakPolarHBondContact OG-CB 3.3Å; I264-A293 HydrophobicContact CD1-CB 3.98Å; M291-A293 HydrophobicContact CG-CB 3.62Å; M291-A293 HydrophobicContact SD-CB 4.05Å; A293-D297 HydrophobicContact CB-CB 4.36Å; A293-I298 HydrophobicContact CB-CD1 4.46Å; A293-I298 HydrophobicContact CB-CG1 3.83Å; A293-S321 WeakPolarHBondContact O-CB 3.22Å; A293-S321 PolarHBondContact O-OG 2.77Å
294	N	87.4	Confident	93.4	Very high	75 Å²	75	31.3 Å²	31.3	40%	0.401	15%	0.15	S	C	.	.			trans	-71.6	153.4	172.2	-57.4	-65	0	0	0	110.6	S234 D296 D297 I298	S234-N294 VanDerWaalsContact CB-ND2 3.27Å; S234-N294 WeakPolarHBondContact CB-ND2 3.27Å; S234-N294 PolarHBondContact OG-N 3.06Å; S234-N294 PolarHBondContact OG-ND2 3.36Å; N294-D296 PolarHBondContact O-N 3.49Å; N294-D297 HydrophobicContact CB-CB 4.38Å; N294-D297 WeakPolarHBondContact CB-OD2 3.4Å; N294-D297 PolarHBondContact ND2-OD2 3.1Å; N294-D297 WeakPolarHBondContact O-CA 3.02Å; N294-D297 WeakPolarHBondContact O-CB 3.37Å; N294-D297 PolarHBondContact O-N 2.86Å; N294-I298 VanDerWaalsContact O-CG1 3.3Å; N294-I298 WeakPolarHBondContact O-CG1 3.26Å; N294-I298 PolarHBondContact O-N 3.38Å
295	E	84.9	Confident	93.7	Very high	14 Å²	14	28.8 Å²	28.8	7%	0.065	13%	0.133	C	C	.	.	H	α-helix	trans	-54.7	-39.3	179.4	-162.9	-172.9	123.3	0	0	113.2	K82 R299 K325 S327 P328	K82-E295 WeakPolarHBondContact CE-OE1 3.34Å; K82-E295 WeakPolarHBondContact CE-OE2 3.19Å; K82-E295 IonicContact NZ-OE1 3.26Å; K82-E295 PolarHBondContact NZ-OE1 2.93Å; K82-E295 IonicContact NZ-OE2 2.8Å; K82-E295 PolarHBondContact NZ-OE2 3.07Å; E295-R299 PolarHBondContact O-N 2.67Å; E295-R299 VanDerWaalsContact O-N 3.15Å; E295-K325 HydrophobicContact CG-CD 4.3Å; E295-K325 VanDerWaalsContact OE2-CD 3.24Å; E295-K325 WeakPolarHBondContact OE2-CD 3.3Å; E295-K325 WeakPolarHBondContact OE2-CE 3.46Å; E295-K325 IonicContact OE2-NZ 2.8Å; E295-K325 PolarHBondContact OE2-NZ 3.11Å; E295-S327 WeakPolarHBondContact OE1-CB 3.33Å; E295-S327 PolarHBondContact OE1-OG 2.89Å; E295-P328 HydrophobicContact CG-CB 4.14Å; E295-P328 HydrophobicContact CG-CG 4.09Å
296	D	83.2	Confident	93.8	Very high	84 Å²	84	29.4 Å²	29.4	45%	0.449	13%	0.131	S	C	.	.	H	α-helix	trans	-71.2	-30.2	178.2	-48.8	-61.1	0	0	0	112.2	N294 R300	N294-D296 PolarHBondContact O-N 3.49Å; D296-R300 WeakPolarHBondContact O-CD 3.38Å; D296-R300 VanDerWaalsContact O-CG 3.28Å; D296-R300 WeakPolarHBondContact O-CG 3.17Å; D296-R300 PolarHBondContact O-N 3.29Å
297	D	90.8	Very high	93.8	Very high	16 Å²	16	35.6 Å²	35.6	9%	0.086	15%	0.154	C	C	.	.	H	α-helix	trans	-77	-42.8	175.2	-67.1	-40.5	0	0	0	111	S234 I264 A293 N294 R299 R300 V301	S234-D297 WeakPolarHBondContact CB-OD2 3.35Å; S234-D297 PolarHBondContact OG-OD2 3.48Å; I264-D297 HydrophobicContact CD1-CB 3.83Å; I264-D297 HydrophobicContact CG2-CB 4.39Å; A293-D297 HydrophobicContact CB-CB 4.36Å; N294-D297 HydrophobicContact CB-CB 4.38Å; N294-D297 WeakPolarHBondContact CB-OD2 3.4Å; N294-D297 PolarHBondContact ND2-OD2 3.1Å; N294-D297 WeakPolarHBondContact O-CA 3.02Å; N294-D297 WeakPolarHBondContact O-CB 3.37Å; N294-D297 PolarHBondContact O-N 2.86Å; D297-R299 VanDerWaalsContact C-N 3.31Å; D297-R299 PolarHBondContact O-N 3.22Å; D297-R300 PolarHBondContact O-N 2.77Å; D297-R300 VanDerWaalsContact O-N 3.07Å; D297-V301 WeakPolarHBondContact O-CG2 3.39Å; D297-V301 PolarHBondContact O-N 3.11Å
298	I	94.4	Very high	93.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-54.5	-48.8	175.1	-67.7	160.7	0	0	0	110	M291 A293 N294 R300 V301 L302 S321 W322 P328	M291-I298 HydrophobicContact CE-CB 4.42Å; M291-I298 HydrophobicContact CE-CG1 3.92Å; M291-I298 HydrophobicContact CE-CG2 3.94Å; M291-I298 HydrophobicContact CG-CG1 4.44Å; M291-I298 HydrophobicContact SD-CG1 3.93Å; A293-I298 HydrophobicContact CB-CD1 4.46Å; A293-I298 HydrophobicContact CB-CG1 3.83Å; N294-I298 VanDerWaalsContact O-CG1 3.3Å; N294-I298 WeakPolarHBondContact O-CG1 3.26Å; N294-I298 PolarHBondContact O-N 3.38Å; I298-R300 VanDerWaalsContact C-N 3.28Å; I298-R300 PolarHBondContact O-N 2.92Å; I298-V301 PolarHBondContact O-N 3.43Å; I298-L302 HydrophobicContact CG2-CD1 3.93Å; I298-L302 HydrophobicContact CG2-CG 4.37Å; I298-L302 WeakPolarHBondContact O-CG 3.28Å; I298-L302 PolarHBondContact O-N 3.33Å; I298-S321 WeakPolarHBondContact CD1-OG 3.08Å; I298-W322 HydrophobicContact CD1-CB 3.96Å; I298-W322 HydrophobicContact CG2-CD2 3.97Å; I298-W322 HydrophobicContact CG2-CE3 3.75Å; I298-W322 HydrophobicContact CG2-CZ3 4.1Å; I298-P328 HydrophobicContact CB-CB 4.33Å; I298-P328 HydrophobicContact CG2-CB 3.86Å
299	R	92.8	Very high	93.6	Very high	87 Å²	87	40.7 Å²	40.7	33%	0.328	19%	0.189	S	C	.	.	H	α-helix	trans	-54.2	-44	176.4	-172.9	172.4	178.1	65.3	16.7	112.2	E295 D297 D303 S327 T330 Q332	E295-R299 PolarHBondContact O-N 2.67Å; E295-R299 VanDerWaalsContact O-N 3.15Å; D297-R299 VanDerWaalsContact C-N 3.31Å; D297-R299 PolarHBondContact O-N 3.22Å; R299-D303 WeakPolarHBondContact O-CB 3.47Å; R299-D303 PolarHBondContact O-N 3.47Å; R299-S327 PolarHBondContact NH1-O 3.18Å; R299-T330 VanDerWaalsContact CZ-O 3.25Å; R299-T330 PolarHBondContact NH1-O 2.81Å; R299-T330 PolarHBondContact NH2-O 3.44Å; R299-Q332 VanDerWaalsContact NH1-OE1 3.14Å
300	R	93.3	Very high	93.4	Very high	128 Å²	128	43 Å²	43	48%	0.483	20%	0.2	S	C	.	.	H	α-helix	trans	-73	-32.6	-179.4	-68.3	167.5	179	-170.6	-3	112.8	F273 D296 D297 I298 A304	F273-R300 HydrophobicContact CD1-CB 3.78Å; F273-R300 HydrophobicContact CD2-CB 4.07Å; F273-R300 HydrophobicContact CE1-CB 3.56Å; F273-R300 HydrophobicContact CE2-CB 3.87Å; F273-R300 HydrophobicContact CE2-CG 4.33Å; F273-R300 HydrophobicContact CG-CB 4.04Å; F273-R300 HydrophobicContact CZ-CB 3.61Å; F273-R300 HydrophobicContact CZ-CG 4.24Å; D296-R300 WeakPolarHBondContact O-CD 3.38Å; D296-R300 VanDerWaalsContact O-CG 3.28Å; D296-R300 WeakPolarHBondContact O-CG 3.17Å; D296-R300 PolarHBondContact O-N 3.29Å; D297-R300 PolarHBondContact O-N 2.77Å; D297-R300 VanDerWaalsContact O-N 3.07Å; I298-R300 VanDerWaalsContact C-N 3.28Å; I298-R300 PolarHBondContact O-N 2.92Å; R300-A304 WeakPolarHBondContact O-CB 3.06Å; R300-A304 PolarHBondContact O-N 3.39Å
301	V	96.3	Very high	93	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-67.5	-48.5	173	169.2	0	0	0	0	111.1	L232 I264 F273 I277 D297 I298 D303 A304 A305 W316	L232-V301 HydrophobicContact CD2-CG1 3.98Å; L232-V301 HydrophobicContact CD2-CG2 3.96Å; I264-V301 HydrophobicContact CD1-CG2 3.83Å; F273-V301 HydrophobicContact CD1-CG2 3.75Å; F273-V301 HydrophobicContact CE1-CG2 4.02Å; I277-V301 HydrophobicContact CD1-CG1 4.23Å; D297-V301 WeakPolarHBondContact O-CG2 3.39Å; D297-V301 PolarHBondContact O-N 3.11Å; I298-V301 PolarHBondContact O-N 3.43Å; V301-D303 VanDerWaalsContact C-N 3.31Å; V301-D303 PolarHBondContact O-N 2.97Å; V301-A304 PolarHBondContact O-N 3.29Å; V301-A305 PolarHBondContact O-N 3.16Å; V301-W316 HydrophobicContact CG1-CH2 3.96Å; V301-W316 HydrophobicContact CG1-CZ3 3.94Å
302	L	96.3	Very high	92.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.9	-39.6	177.1	-66.5	173.2	0	0	0	111.5	I298 A305 K306 W316 W322 V329 Q332 V335 A336	I298-L302 HydrophobicContact CG2-CD1 3.93Å; I298-L302 HydrophobicContact CG2-CG 4.37Å; I298-L302 WeakPolarHBondContact O-CG 3.28Å; I298-L302 PolarHBondContact O-N 3.33Å; L302-A305 PolarHBondContact O-N 3.36Å; L302-K306 PolarHBondContact O-N 3.15Å; L302-W316 HydrophobicContact CD2-CD2 4.11Å; L302-W316 HydrophobicContact CD2-CG 4.42Å; L302-W316 HydrophobicContact CD2-CZ2 3.93Å; L302-W322 HydrophobicContact CD1-CH2 3.91Å; L302-W322 HydrophobicContact CD1-CZ2 3.98Å; L302-W322 HydrophobicContact CD2-CH2 4.04Å; L302-W322 HydrophobicContact CG-CH2 4.49Å; L302-V329 HydrophobicContact CD1-CG1 4.16Å; L302-Q332 HydrophobicContact CB-CB 3.98Å; L302-Q332 HydrophobicContact CB-CG 4.15Å; L302-V335 HydrophobicContact CD2-CG1 3.95Å; L302-A336 HydrophobicContact CD1-CB 4.48Å
303	D	95.1	Very high	92.3	Very high	46 Å²	46	48.7 Å²	48.7	25%	0.246	24%	0.237	C	C	.	.	H	α-helix	trans	-69.6	-35.8	176.3	-160.2	65.5	0	0	0	112.6	R299 V301 K306 R307 Q332	R299-D303 WeakPolarHBondContact O-CB 3.47Å; R299-D303 PolarHBondContact O-N 3.47Å; V301-D303 VanDerWaalsContact C-N 3.31Å; V301-D303 PolarHBondContact O-N 2.97Å; D303-K306 WeakPolarHBondContact O-CB 3.47Å; D303-K306 PolarHBondContact O-N 3.46Å; D303-R307 WeakPolarHBondContact O-CG 3.33Å; D303-R307 PolarHBondContact O-N 3.15Å; D303-R307 IonicContact OD2-CZ 2.66Å; D303-R307 IonicContact OD2-NH1 3.38Å; D303-R307 PolarHBondContact OD2-NH1 3.32Å; D303-Q332 HydrophobicContact CB-CG 3.98Å; D303-Q332 PolarHBondContact OD1-NE2 2.72Å
304	A	95.6	Very high	92.4	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-37.7	171.7	0	0	0	0	0	112.5	F273 I277 R300 V301 K306 R307 S308	F273-A304 HydrophobicContact CB-CB 3.76Å; I277-A304 HydrophobicContact CG1-CB 3.78Å; R300-A304 WeakPolarHBondContact O-CB 3.06Å; R300-A304 PolarHBondContact O-N 3.39Å; V301-A304 PolarHBondContact O-N 3.29Å; A304-K306 VanDerWaalsContact C-N 3.34Å; A304-R307 PolarHBondContact O-N 3.11Å; A304-S308 VanDerWaalsContact O-CB 3.26Å; A304-S308 WeakPolarHBondContact O-CB 3.35Å; A304-S308 PolarHBondContact O-N 3.03Å; A304-S308 PolarHBondContact O-OG 3.28Å
305	A	96.1	Very high	92.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-38.3	173.5	0	0	0	0	0	111.5	I277 V301 L302 S308 N309 Q310 W316 V335	I277-A305 HydrophobicContact CD1-CB 3.86Å; I277-A305 HydrophobicContact CG1-CB 4.39Å; V301-A305 PolarHBondContact O-N 3.16Å; L302-A305 PolarHBondContact O-N 3.36Å; A305-S308 PolarHBondContact O-N 3.02Å; A305-N309 PolarHBondContact O-N 3.11Å; A305-Q310 PolarHBondContact O-N 2.87Å; A305-W316 HydrophobicContact CB-CH2 4.33Å; A305-W316 HydrophobicContact CB-CZ2 4.04Å; A305-V335 HydrophobicContact CB-CG1 3.85Å
306	K	95.2	Very high	93.3	Very high	104 Å²	104	45.8 Å²	45.8	45%	0.452	22%	0.221	S	C	.	.	H	α-helix	trans	-59.4	-52.2	171.4	-163.6	-177.4	178.3	-174.9	0	111.5	L302 D303 A304 S308 N309 G331 Q332 V335	L302-K306 PolarHBondContact O-N 3.15Å; D303-K306 WeakPolarHBondContact O-CB 3.47Å; D303-K306 PolarHBondContact O-N 3.46Å; A304-K306 VanDerWaalsContact C-N 3.34Å; K306-S308 VanDerWaalsContact C-N 3.28Å; K306-S308 PolarHBondContact O-N 2.84Å; K306-N309 PolarHBondContact O-N 3.35Å; K306-N309 VanDerWaalsContact O-N 3.1Å; K306-G331 PolarHBondContact NZ-O 2.84Å; K306-Q332 HydrophobicContact CD-CG 4.5Å; K306-V335 HydrophobicContact CB-CG2 3.83Å; K306-V335 HydrophobicContact CG-CG2 4.1Å
307	R	94.8	Very high	94	Very high	130 Å²	130	41.8 Å²	41.8	49%	0.491	20%	0.2	S	C	.	.	H	α-helix	trans	-61.1	-35.8	177.3	-70.1	-171.9	-54.4	-98.7	7.7	112.8	D274 D303 A304 N309	D274-R307 VanDerWaalsContact CG-NH2 3.27Å; D274-R307 IonicContact OD1-CZ 3.81Å; D274-R307 VanDerWaalsContact OD1-CZ 3.27Å; D274-R307 IonicContact OD1-NE 3.88Å; D274-R307 PolarHBondContact OD1-NE 3.23Å; D274-R307 IonicContact OD1-NH2 3.84Å; D274-R307 PolarHBondContact OD1-NH2 3.11Å; D274-R307 IonicContact OD2-NH2 2.84Å; D274-R307 PolarHBondContact OD2-NH2 3.39Å; D303-R307 WeakPolarHBondContact O-CG 3.33Å; D303-R307 PolarHBondContact O-N 3.15Å; D303-R307 IonicContact OD2-CZ 2.66Å; D303-R307 IonicContact OD2-NH1 3.38Å; D303-R307 PolarHBondContact OD2-NH1 3.32Å; A304-R307 PolarHBondContact O-N 3.11Å; R307-N309 PolarHBondContact O-N 3.49Å
308	S	94.3	Very high	94.3	Very high	38 Å²	38	41 Å²	41	27%	0.266	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	4.1	177.9	-53.7	0	0	0	0	113.6	A304 A305 K306 Q310	A304-S308 VanDerWaalsContact O-CB 3.26Å; A304-S308 WeakPolarHBondContact O-CB 3.35Å; A304-S308 PolarHBondContact O-N 3.03Å; A304-S308 PolarHBondContact O-OG 3.28Å; A305-S308 PolarHBondContact O-N 3.02Å; K306-S308 VanDerWaalsContact C-N 3.28Å; K306-S308 PolarHBondContact O-N 2.84Å; S308-Q310 VanDerWaalsContact C-N 3.3Å; S308-Q310 PolarHBondContact O-N 2.89Å; S308-Q310 PolarHBondContact O-NE2 2.91Å
309	N	93.4	Very high	94.3	Very high	132 Å²	132	41 Å²	41	71%	0.706	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	33.9	-178.5	-160	27.5	0	0	0	114.9	A305 K306 R307 T311	A305-N309 PolarHBondContact O-N 3.11Å; K306-N309 PolarHBondContact O-N 3.35Å; K306-N309 VanDerWaalsContact O-N 3.1Å; R307-N309 PolarHBondContact O-N 3.49Å; N309-T311 VanDerWaalsContact C-N 3.33Å; N309-T311 PolarHBondContact O-N 3.3Å
310	Q	93.1	Very high	94.3	Very high	48 Å²	48	37.1 Å²	37.1	22%	0.224	18%	0.182	C	C	.	.			trans	-97.3	29.7	-179.8	-57.4	-49.6	-49.8	0	0	113.1	I277 M281 A305 S308 G312 H313 F314	I277-Q310 HydrophobicContact CG2-CG 4.18Å; M281-Q310 VanDerWaalsContact CE-OE1 3.28Å; M281-Q310 HydrophobicContact CG-CG 4.42Å; M281-Q310 HydrophobicContact SD-CG 3.91Å; M281-Q310 PolarHBondContact SD-OE1 3.16Å; M281-Q310 VanDerWaalsContact SD-OE1 3.42Å; A305-Q310 PolarHBondContact O-N 2.87Å; S308-Q310 VanDerWaalsContact C-N 3.3Å; S308-Q310 PolarHBondContact O-N 2.89Å; S308-Q310 PolarHBondContact O-NE2 2.91Å; Q310-G312 PolarHBondContact O-N 2.71Å; Q310-H313 HydrophobicContact CB-CB 4.32Å; Q310-H313 PolarHBondContact O-N 3.35Å; Q310-F314 HydrophobicContact CB-CD2 4.15Å; Q310-F314 HydrophobicContact CB-CE2 3.77Å; Q310-F314 HydrophobicContact CG-CE2 4.18Å
311	T	90.3	Very high	94	Very high	46 Å²	46	31.6 Å²	31.6	28%	0.282	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	85	-169	-51.7	0	0	0	0	113.4	N309 M334 V335 K517	N309-T311 VanDerWaalsContact C-N 3.33Å; N309-T311 PolarHBondContact O-N 3.3Å; T311-M334 HydrophobicContact CG2-CB 3.87Å; T311-M334 WeakPolarHBondContact CG2-O 3.39Å; T311-V335 HydrophobicContact CG2-CG2 3.96Å; T311-K517 PolarHBondContact O-NZ 3.32Å
312	G	87.4	Confident	93.8	Very high	28 Å²	28	31.5 Å²	31.5	29%	0.289	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.9	6.9	-175.9	0	0	0	0	0	114.3	R287 Q310	R287-G312 PolarHBondContact NH2-O 3.33Å; Q310-G312 PolarHBondContact O-N 2.71Å
313	H	91.7	Very high	93.5	Very high	45 Å²	45	31.5 Å²	31.5	21%	0.208	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-54.2	167.9	176	60.7	0	0	0	110.4	M281 S284 R287 Q310	M281-H313 PolarHBondContact SD-CD2 2.82Å; S284-H313 PolarHBondContact O-CE1 3.2Å; S284-H313 VanDerWaalsContact O-CE1 3.27Å; S284-H313 PolarHBondContact O-NE2 2.83Å; R287-H313 PolarHBondContact NE-O 3.46Å; R287-H313 PolarHBondContact NH2-O 3.11Å; Q310-H313 HydrophobicContact CB-CB 4.32Å; Q310-H313 PolarHBondContact O-N 3.35Å
314	F	94.7	Very high	93.2	Very high	7 Å²	7	30.8 Å²	30.8	3%	0.031	16%	0.161	C	C	.	.	S	Bend	trans	-76	151.4	178.7	-58	-61.8	0	0	0	112.9	I277 L280 M281 R287 I289 Q310 W316	I277-F314 HydrophobicContact CD1-CE2 4.45Å; I277-F314 HydrophobicContact CG2-CE2 4.19Å; L280-F314 HydrophobicContact CB-CE1 3.66Å; L280-F314 HydrophobicContact CB-CZ 3.61Å; L280-F314 HydrophobicContact CD1-CE1 4.37Å; L280-F314 HydrophobicContact CD1-CZ 4.3Å; M281-F314 HydrophobicContact CG-CZ 4.26Å; M281-F314 HydrophobicContact SD-CE1 4.05Å; M281-F314 HydrophobicContact SD-CE2 4.17Å; M281-F314 HydrophobicContact SD-CZ 3.45Å; M281-F314 WeakPolarHBondContact SD-CZ 3.33Å; R287-F314 CarbonylContact O-C 3.47Å; R287-F314 WeakPolarHBondContact O-CA 3.36Å; I289-F314 HydrophobicContact CD1-CD1 3.79Å; I289-F314 HydrophobicContact CD1-CE1 4.23Å; I289-F314 HydrophobicContact CG1-CB 4Å; I289-F314 HydrophobicContact CG1-CD1 3.76Å; I289-F314 HydrophobicContact CG1-CG 4.08Å; Q310-F314 HydrophobicContact CB-CD2 4.15Å; Q310-F314 HydrophobicContact CB-CE2 3.77Å; Q310-F314 HydrophobicContact CG-CE2 4.18Å; F314-W316 HydrophobicContact CB-CD2 4.33Å; F314-W316 HydrophobicContact CB-CH2 4.09Å; F314-W316 HydrophobicContact CB-CZ2 3.78Å; F314-W316 HydrophobicContact CB-CZ3 4.49Å; F314-W316 AromaticContact CD2-CH2 3.82Å; F314-W316 HydrophobicContact CD2-CH2 3.82Å; F314-W316 AromaticContact CD2-CZ2 3.82Å; F314-W316 HydrophobicContact CD2-CZ2 3.82Å; F314-W316 HydrophobicContact CG-CH2 4.13Å; F314-W316 HydrophobicContact CG-CZ2 4.15Å
315	L	95	Very high	92.7	Very high	16 Å²	16	32.7 Å²	32.7	8%	0.084	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	102.4	176.2	-54.7	165.9	0	0	0	106.9	W226 R287 A288 I289 W516 P524	W226-L315 HydrophobicContact CH2-CB 4.04Å; W226-L315 HydrophobicContact CH2-CD1 4.36Å; W226-L315 HydrophobicContact CZ2-CB 4.24Å; W226-L315 HydrophobicContact CZ2-CD1 3.72Å; R287-L315 HydrophobicContact CB-CD1 3.95Å; R287-L315 HydrophobicContact CB-CG 4.21Å; R287-L315 PolarHBondContact O-N 2.93Å; A288-L315 CarbonylContact C-O 3.47Å; A288-L315 WeakPolarHBondContact CA-O 3.22Å; I289-L315 PolarHBondContact N-O 2.85Å; L315-W516 HydrophobicContact CD2-CE3 4.45Å; L315-W516 HydrophobicContact CD2-CZ3 4.19Å; L315-P524 HydrophobicContact CD1-CB 3.94Å; L315-P524 HydrophobicContact CD1-CG 3.9Å; L315-P524 HydrophobicContact CD2-CB 4.03Å; L315-P524 HydrophobicContact CD2-CG 3.73Å; L315-P524 HydrophobicContact CG-CG 4.48Å
316	W	96.3	Very high	92.2	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.019	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	136.2	-171.9	-48	100.6	0	0	0	112.1	I277 I289 M291 V301 L302 A305 F314 W322 V335 A339 I340	I277-W316 HydrophobicContact CD1-CH2 4.46Å; I289-W316 HydrophobicContact CB-CE3 3.82Å; I289-W316 HydrophobicContact CB-CZ3 4.06Å; I289-W316 HydrophobicContact CG1-CE3 4.16Å; I289-W316 HydrophobicContact CG1-CZ3 4.08Å; I289-W316 HydrophobicContact CG2-CE3 4.01Å; I289-W316 HydrophobicContact CG2-CZ3 3.94Å; M291-W316 HydrophobicContact CE-CE3 4.22Å; V301-W316 HydrophobicContact CG1-CH2 3.96Å; V301-W316 HydrophobicContact CG1-CZ3 3.94Å; L302-W316 HydrophobicContact CD2-CD2 4.11Å; L302-W316 HydrophobicContact CD2-CG 4.42Å; L302-W316 HydrophobicContact CD2-CZ2 3.93Å; A305-W316 HydrophobicContact CB-CH2 4.33Å; A305-W316 HydrophobicContact CB-CZ2 4.04Å; F314-W316 HydrophobicContact CB-CD2 4.33Å; F314-W316 HydrophobicContact CB-CH2 4.09Å; F314-W316 HydrophobicContact CB-CZ2 3.78Å; F314-W316 HydrophobicContact CB-CZ3 4.49Å; F314-W316 AromaticContact CD2-CH2 3.82Å; F314-W316 HydrophobicContact CD2-CH2 3.82Å; F314-W316 AromaticContact CD2-CZ2 3.82Å; F314-W316 HydrophobicContact CD2-CZ2 3.82Å; F314-W316 HydrophobicContact CG-CH2 4.13Å; F314-W316 HydrophobicContact CG-CZ2 4.15Å; W316-W322 HydrophobicContact CB-CH2 3.94Å; W316-W322 HydrophobicContact CB-CZ3 3.78Å; W316-W322 HydrophobicContact CG-CH2 4.12Å; W316-W322 HydrophobicContact CG-CZ3 4.23Å; W316-V335 HydrophobicContact CZ2-CG1 4.19Å; W316-V335 PolarHBondContact NE1-O 3.11Å; W316-A339 HydrophobicContact CB-CB 3.85Å; W316-A339 HydrophobicContact CG-CB 4.43Å; W316-A339 WeakPolarHBondContact O-CA 3.46Å; W316-I340 PolarHBondContact O-N 2.97Å
317	V	97.6	Very high	91.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	106.8	167.6	-165.6	0	0	0	0	108.4	M217 W226 I289 I290 M291 I340	M217-V317 HydrophobicContact CE-CB 4.17Å; M217-V317 HydrophobicContact CE-CG1 3.74Å; M217-V317 WeakPolarHBondContact CE-O 3.3Å; M217-V317 HydrophobicContact CG-CG1 4.24Å; W226-V317 HydrophobicContact CZ3-CG2 3.77Å; I289-V317 PolarHBondContact O-N 2.88Å; I290-V317 HydrophobicContact CD1-CB 3.85Å; I290-V317 HydrophobicContact CD1-CG2 3.74Å; M291-V317 PolarHBondContact N-O 2.93Å; V317-I340 CarbonylContact C-O 3.42Å; V317-I340 VanDerWaalsContact CA-O 3.29Å; V317-I340 WeakPolarHBondContact CA-O 3.11Å
318	G	96.5	Very high	91.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	141.4	-173.1	0	0	0	0	0	114.7	I340 T341 I342	G318-I340 PolarHBondContact N-O 3.4Å; G318-T341 WeakPolarHBondContact O-CA 3.19Å; G318-I342 PolarHBondContact O-N 2.86Å
319	S	95.2	Very high	91.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.149	C	C	.	.			trans	-72.1	-178.9	173.3	69.9	0	0	0	0	113.7	Y238 M291 S321 W322 G323	Y238-S319 WeakPolarHBondContact OH-CB 3.34Å; Y238-S319 PolarHBondContact OH-OG 2.86Å; M291-S319 PolarHBondContact O-N 2.94Å; M291-S319 VanDerWaalsContact O-N 3.17Å; S319-S321 PolarHBondContact O-N 3.26Å; S319-S321 PolarHBondContact OG-OG 3.45Å; S319-W322 PolarHBondContact O-N 2.7Å; S319-G323 PolarHBondContact O-N 2.83Å; S319-G323 VanDerWaalsContact O-N 3.17Å
320	D	91.3	Very high	90.9	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.027	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-19.3	179.9	84.1	-61.8	0	0	0	115.5	Q213 Y238 W322 I342 P344 K412	Q213-D320 PolarHBondContact NE2-OD1 3.08Å; Y238-D320 PolarHBondContact OH-OD1 2.87Å; D320-W322 PolarHBondContact O-N 3.33Å; D320-I342 WeakPolarHBondContact CA-O 3.47Å; D320-P344 VanDerWaalsContact CB-CD 3.45Å; D320-P344 HydrophobicContact CB-CG 4.03Å; D320-K412 WeakPolarHBondContact OD2-CE 3.26Å; D320-K412 IonicContact OD2-NZ 2.82Å; D320-K412 PolarHBondContact OD2-NZ 2.96Å
321	S	88.1	Confident	90.8	Very high	12 Å²	12	21.4 Å²	21.4	8%	0.084	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-37.9	169.7	60.6	0	0	0	0	112.3	Y238 A293 I298 S319 K325	Y238-S321 WeakPolarHBondContact OH-CB 3.5Å; Y238-S321 PolarHBondContact OH-N 3.34Å; A293-S321 WeakPolarHBondContact O-CB 3.22Å; A293-S321 PolarHBondContact O-OG 2.77Å; I298-S321 WeakPolarHBondContact CD1-OG 3.08Å; S319-S321 PolarHBondContact O-N 3.26Å; S319-S321 PolarHBondContact OG-OG 3.45Å; S321-K325 PolarHBondContact O-NZ 2.65Å
322	W	91.8	Very high	90.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-64.7	172.7	-165.2	-26.2	0	0	0	109.4	M291 I298 L302 W316 S319 D320 S324 K325 P328 V329 A336 A339 T341 Y497	M291-W322 HydrophobicContact CE-CE3 3.63Å; M291-W322 HydrophobicContact CE-CZ3 3.42Å; M291-W322 VanDerWaalsContact CE-CZ3 3.42Å; I298-W322 HydrophobicContact CD1-CB 3.96Å; I298-W322 HydrophobicContact CG2-CD2 3.97Å; I298-W322 HydrophobicContact CG2-CE3 3.75Å; I298-W322 HydrophobicContact CG2-CZ3 4.1Å; L302-W322 HydrophobicContact CD1-CH2 3.91Å; L302-W322 HydrophobicContact CD1-CZ2 3.98Å; L302-W322 HydrophobicContact CD2-CH2 4.04Å; L302-W322 HydrophobicContact CG-CH2 4.49Å; W316-W322 HydrophobicContact CB-CH2 3.94Å; W316-W322 HydrophobicContact CB-CZ3 3.78Å; W316-W322 HydrophobicContact CG-CH2 4.12Å; W316-W322 HydrophobicContact CG-CZ3 4.23Å; S319-W322 PolarHBondContact O-N 2.7Å; D320-W322 PolarHBondContact O-N 3.33Å; W322-S324 PolarHBondContact O-N 3.24Å; W322-K325 WeakPolarHBondContact O-CB 3.4Å; W322-K325 VanDerWaalsContact O-CG 3.3Å; W322-K325 WeakPolarHBondContact O-CG 3.27Å; W322-K325 PolarHBondContact O-N 2.9Å; W322-P328 HydrophobicContact CG-CG 4.34Å; W322-V329 HydrophobicContact CZ2-CG1 3.64Å; W322-A336 HydrophobicContact CH2-CB 4.49Å; W322-A336 HydrophobicContact CZ2-CB 3.99Å; W322-A339 HydrophobicContact CH2-CB 3.68Å; W322-A339 HydrophobicContact CZ2-CB 3.91Å; W322-A339 HydrophobicContact CZ3-CB 4.45Å; W322-T341 HydrophobicContact CB-CG2 4.05Å; W322-T341 HydrophobicContact CD2-CG2 3.65Å; W322-T341 HydrophobicContact CE3-CG2 4.17Å; W322-T341 HydrophobicContact CG-CG2 3.59Å; W322-Y497 AromaticContact NE1-CE1 3.91Å; W322-Y497 AromaticContact NE1-CZ 3.77Å; W322-Y497 PolarHBondContact NE1-OH 3.44Å
323	G	90.2	Very high	91.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	-131.6	-175	0	0	0	0	0	112.9	S319 T341 Y497	S319-G323 PolarHBondContact O-N 2.83Å; S319-G323 VanDerWaalsContact O-N 3.17Å; G323-T341 WeakPolarHBondContact O-CB 3.34Å; G323-T341 PolarHBondContact O-OG1 2.88Å; G323-Y497 WeakPolarHBondContact O-CE1 3.4Å
324	S	88.8	Confident	90.9	Very high	31 Å²	31	24.2 Å²	24.2	22%	0.217	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	22	-179	71.1	0	0	0	0	114.7	W322 Y497	W322-S324 PolarHBondContact O-N 3.24Å; S324-Y497 VanDerWaalsContact C-CD2 3.48Å; S324-Y497 VanDerWaalsContact O-CD2 3.26Å; S324-Y497 WeakPolarHBondContact O-CD2 3.46Å; S324-Y497 WeakPolarHBondContact O-CE2 3.35Å
325	K	85.9	Confident	90.9	Very high	39 Å²	39	24 Å²	24	17%	0.17	14%	0.143	C	C	.	.			trans	-85.1	141.1	-169.5	-61.8	173.8	-169.2	164.2	0	113.5	E295 S321 W322 P328 Y497	E295-K325 HydrophobicContact CG-CD 4.3Å; E295-K325 VanDerWaalsContact OE2-CD 3.24Å; E295-K325 WeakPolarHBondContact OE2-CD 3.3Å; E295-K325 WeakPolarHBondContact OE2-CE 3.46Å; E295-K325 IonicContact OE2-NZ 2.8Å; E295-K325 PolarHBondContact OE2-NZ 3.11Å; S321-K325 PolarHBondContact O-NZ 2.65Å; W322-K325 WeakPolarHBondContact O-CB 3.4Å; W322-K325 VanDerWaalsContact O-CG 3.3Å; W322-K325 WeakPolarHBondContact O-CG 3.27Å; W322-K325 PolarHBondContact O-N 2.9Å; K325-P328 HydrophobicContact CB-CG 4.23Å; K325-Y497 VanDerWaalsContact O-CE2 3.23Å; K325-Y497 WeakPolarHBondContact O-CE2 3.49Å; K325-Y497 VanDerWaalsContact O-CZ 3.31Å; K325-Y497 PolarHBondContact O-OH 2.98Å
326	S	84.1	Confident	90.8	Very high	66 Å²	66	23.2 Å²	23.2	46%	0.462	14%	0.139	S	C	.	.	S	Bend	trans	-73.3	-44.8	173.2	53.6	0	0	0	0	113.2	P328 V329 T330	S326-P328 VanDerWaalsContact O-N 3.16Å; S326-V329 WeakPolarHBondContact O-CG2 3.42Å; S326-V329 PolarHBondContact O-N 2.92Å; S326-T330 PolarHBondContact O-N 2.84Å; S326-T330 VanDerWaalsContact O-N 3.08Å; S326-T330 PolarHBondContact O-OG1 3.23Å
327	S	83.9	Confident	90.5	Very high	45 Å²	45	24.9 Å²	24.9	32%	0.315	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-35	-54.9	179.4	165.1	0	0	0	0	116.5	E295 R299 V329	E295-S327 WeakPolarHBondContact OE1-CB 3.33Å; E295-S327 PolarHBondContact OE1-OG 2.89Å; R299-S327 PolarHBondContact NH1-O 3.18Å; S327-V329 VanDerWaalsContact C-N 3.29Å; S327-V329 PolarHBondContact O-N 3.17Å
328	P	87.8	Confident	90.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-19.8	-178.6	25.7	-34.2	0	0	0	114.8	E295 I298 W322 K325 S326	E295-P328 HydrophobicContact CG-CB 4.14Å; E295-P328 HydrophobicContact CG-CG 4.09Å; I298-P328 HydrophobicContact CB-CB 4.33Å; I298-P328 HydrophobicContact CG2-CB 3.86Å; W322-P328 HydrophobicContact CG-CG 4.34Å; K325-P328 HydrophobicContact CB-CG 4.23Å; S326-P328 VanDerWaalsContact O-N 3.16Å
329	V	91.3	Very high	90.1	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.012	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-14.8	-173.6	-58.9	0	0	0	0	114.9	L302 W322 S326 S327 G331 Q332 E333 A336 Y487 Y497	L302-V329 HydrophobicContact CD1-CG1 4.16Å; W322-V329 HydrophobicContact CZ2-CG1 3.64Å; S326-V329 WeakPolarHBondContact O-CG2 3.42Å; S326-V329 PolarHBondContact O-N 2.92Å; S327-V329 VanDerWaalsContact C-N 3.29Å; S327-V329 PolarHBondContact O-N 3.17Å; V329-G331 PolarHBondContact O-N 2.64Å; V329-G331 VanDerWaalsContact O-N 3.12Å; V329-Q332 CarbonylContact O-C 3.5Å; V329-Q332 WeakPolarHBondContact O-CA 3.45Å; V329-Q332 PolarHBondContact O-N 2.73Å; V329-E333 PolarHBondContact O-N 2.87Å; V329-A336 HydrophobicContact CB-CB 4.02Å; V329-A336 HydrophobicContact CG1-CB 3.51Å; V329-Y487 HydrophobicContact CG2-CE2 3.95Å; V329-Y497 WeakPolarHBondContact CG1-OH 3.37Å
330	T	89.1	Confident	90.2	Very high	73 Å²	73	25.2 Å²	25.2	45%	0.448	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	109.6	-176.5	-58.2	0	0	0	0	112.8	R299 S326 Q332 E333	R299-T330 VanDerWaalsContact CZ-O 3.25Å; R299-T330 PolarHBondContact NH1-O 2.81Å; R299-T330 PolarHBondContact NH2-O 3.44Å; S326-T330 PolarHBondContact O-N 2.84Å; S326-T330 VanDerWaalsContact O-N 3.08Å; S326-T330 PolarHBondContact O-OG1 3.23Å; T330-Q332 PolarHBondContact O-OE1 3.32Å; T330-E333 WeakPolarHBondContact CA-OE1 3.34Å
331	G	89.5	Confident	90.4	Very high	29 Å²	29	25 Å²	25	30%	0.299	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	94	-2.5	-172.3	0	0	0	0	0	114.7	K306 V329 E333	K306-G331 PolarHBondContact NZ-O 2.84Å; V329-G331 PolarHBondContact O-N 2.64Å; V329-G331 VanDerWaalsContact O-N 3.12Å; G331-E333 WeakPolarHBondContact CA-OE2 3.37Å; G331-E333 PolarHBondContact N-OE1 3.29Å; G331-E333 PolarHBondContact N-OE2 3.16Å; G331-E333 VanDerWaalsContact N-OE2 3.09Å
332	Q	92.8	Very high	90.8	Very high	13 Å²	13	24.4 Å²	24.4	6%	0.061	15%	0.146	C	C	.	.			trans	-126.8	18.4	178.5	-66.2	77.4	27.1	0	0	112.1	R299 L302 D303 K306 V329 T330 M334 V335 A336	R299-Q332 VanDerWaalsContact NH1-OE1 3.14Å; L302-Q332 HydrophobicContact CB-CB 3.98Å; L302-Q332 HydrophobicContact CB-CG 4.15Å; D303-Q332 HydrophobicContact CB-CG 3.98Å; D303-Q332 PolarHBondContact OD1-NE2 2.72Å; K306-Q332 HydrophobicContact CD-CG 4.5Å; V329-Q332 CarbonylContact O-C 3.5Å; V329-Q332 WeakPolarHBondContact O-CA 3.45Å; V329-Q332 PolarHBondContact O-N 2.73Å; T330-Q332 PolarHBondContact O-OE1 3.32Å; Q332-M334 VanDerWaalsContact C-N 3.34Å; Q332-M334 PolarHBondContact O-N 2.67Å; Q332-V335 WeakPolarHBondContact O-CA 3.41Å; Q332-V335 WeakPolarHBondContact O-CB 3.31Å; Q332-V335 PolarHBondContact O-N 3.16Å; Q332-A336 PolarHBondContact O-N 3.19Å
333	E	91.1	Very high	90.8	Very high	65 Å²	65	24.9 Å²	24.9	30%	0.304	15%	0.148	S	C	.	.	H	α-helix	trans	-54.6	-44.7	-168.4	-61.9	83	176.5	0	0	112.7	V329 T330 G331 V335 A336 E337 Y487	V329-E333 PolarHBondContact O-N 2.87Å; T330-E333 WeakPolarHBondContact CA-OE1 3.34Å; G331-E333 WeakPolarHBondContact CA-OE2 3.37Å; G331-E333 PolarHBondContact N-OE1 3.29Å; G331-E333 PolarHBondContact N-OE2 3.16Å; G331-E333 VanDerWaalsContact N-OE2 3.09Å; E333-V335 PolarHBondContact O-N 2.92Å; E333-V335 VanDerWaalsContact O-N 3.13Å; E333-A336 PolarHBondContact O-N 3.13Å; E333-A336 VanDerWaalsContact O-N 3.1Å; E333-E337 PolarHBondContact O-N 3.43Å; E333-Y487 HydrophobicContact CB-CE1 4.18Å; E333-Y487 VanDerWaalsContact CG-OH 3.26Å; E333-Y487 WeakPolarHBondContact CG-OH 3.49Å
334	M	88.9	Confident	90.9	Very high	100 Å²	100	25 Å²	25	49%	0.493	15%	0.149	S	C	.	.	H	α-helix	trans	-65.9	-12.8	179	-58.5	-53.2	-52.6	0	0	114.8	T311 Q332 E337 K517	T311-M334 HydrophobicContact CG2-CB 3.87Å; T311-M334 WeakPolarHBondContact CG2-O 3.39Å; Q332-M334 VanDerWaalsContact C-N 3.34Å; Q332-M334 PolarHBondContact O-N 2.67Å; M334-E337 WeakPolarHBondContact CE-OE2 3.31Å; M334-K517 PolarHBondContact O-NZ 2.04Å
335	V	92.9	Very high	90.9	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.018	16%	0.158	C	C	.	.	H	α-helix	trans	-97.7	-28.4	175.2	-174.3	0	0	0	0	111	L302 A305 K306 T311 W316 Q332 E333	L302-V335 HydrophobicContact CD2-CG1 3.95Å; A305-V335 HydrophobicContact CB-CG1 3.85Å; K306-V335 HydrophobicContact CB-CG2 3.83Å; K306-V335 HydrophobicContact CG-CG2 4.1Å; T311-V335 HydrophobicContact CG2-CG2 3.96Å; W316-V335 HydrophobicContact CZ2-CG1 4.19Å; W316-V335 PolarHBondContact NE1-O 3.11Å; Q332-V335 WeakPolarHBondContact O-CA 3.41Å; Q332-V335 WeakPolarHBondContact O-CB 3.31Å; Q332-V335 PolarHBondContact O-N 3.16Å; E333-V335 PolarHBondContact O-N 2.92Å; E333-V335 VanDerWaalsContact O-N 3.13Å
336	A	93.1	Very high	91	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-81.3	-14.7	173.6	0	0	0	0	0	113.4	L302 W322 V329 Q332 E333 G338 A339 Y487	L302-A336 HydrophobicContact CD1-CB 4.48Å; W322-A336 HydrophobicContact CH2-CB 4.49Å; W322-A336 HydrophobicContact CZ2-CB 3.99Å; V329-A336 HydrophobicContact CB-CB 4.02Å; V329-A336 HydrophobicContact CG1-CB 3.51Å; Q332-A336 PolarHBondContact O-N 3.19Å; E333-A336 PolarHBondContact O-N 3.13Å; E333-A336 VanDerWaalsContact O-N 3.1Å; A336-G338 PolarHBondContact O-N 3.27Å; A336-A339 WeakPolarHBondContact O-CB 3.25Å; A336-A339 PolarHBondContact O-N 3.35Å; A336-Y487 HydrophobicContact CB-CD1 3.69Å; A336-Y487 HydrophobicContact CB-CE1 3.9Å; A336-Y487 HydrophobicContact CB-CG 4.45Å
337	E	90.9	Very high	91.1	Very high	39 Å²	39	29.4 Å²	29.4	18%	0.182	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	123.2	177.2	-176.7	171.9	-137.2	0	0	112.6	E333 M334 A339 K517	E333-E337 PolarHBondContact O-N 3.43Å; M334-E337 WeakPolarHBondContact CE-OE2 3.31Å; E337-A339 VanDerWaalsContact C-N 3.31Å; E337-A339 PolarHBondContact O-N 2.99Å; E337-K517 HydrophobicContact CG-CB 4.37Å; E337-K517 WeakPolarHBondContact OE2-CD 3.35Å; E337-K517 WeakPolarHBondContact OE2-CE 3.31Å; E337-K517 WeakPolarHBondContact OE2-CG 3.4Å; E337-K517 IonicContact OE2-NZ 3.78Å; E337-K517 PolarHBondContact OE2-NZ 3.38Å
338	G	90.9	Very high	91.4	Very high	7 Å²	7	30.7 Å²	30.7	7%	0.072	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	-6.5	-176.6	0	0	0	0	0	115.2	A336 I340 Q486 Y487 W516	A336-G338 PolarHBondContact O-N 3.27Å; G338-I340 PolarHBondContact O-N 3.39Å; G338-Q486 WeakPolarHBondContact O-CG 3.46Å; G338-Q486 PolarHBondContact O-NE2 2.73Å; G338-Y487 PolarHBondContact N-O 3.28Å; G338-W516 VanDerWaalsContact O-CZ3 3.3Å; G338-W516 WeakPolarHBondContact O-CZ3 3.44Å
339	A	94.9	Very high	91.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.			trans	-58.7	132.8	178.1	0	0	0	0	0	111.7	W316 W322 A336 E337 Q486 Y487	W316-A339 HydrophobicContact CB-CB 3.85Å; W316-A339 HydrophobicContact CG-CB 4.43Å; W316-A339 WeakPolarHBondContact O-CA 3.46Å; W322-A339 HydrophobicContact CH2-CB 3.68Å; W322-A339 HydrophobicContact CZ2-CB 3.91Å; W322-A339 HydrophobicContact CZ3-CB 4.45Å; A336-A339 WeakPolarHBondContact O-CB 3.25Å; A336-A339 PolarHBondContact O-N 3.35Å; E337-A339 VanDerWaalsContact C-N 3.31Å; E337-A339 PolarHBondContact O-N 2.99Å; A339-Q486 CarbonylContact O-C 3.56Å; A339-Q486 VanDerWaalsContact O-CA 3.29Å; A339-Q486 WeakPolarHBondContact O-CA 3.46Å; A339-Q486 WeakPolarHBondContact O-CG 3.43Å; A339-Y487 PolarHBondContact O-N 3.4Å
340	I	96.5	Very high	91.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	134.1	172.8	-58	170.9	0	0	0	108	I220 M224 W226 W316 V317 G318 G338 I484 F485 Q486 I500 M514 W516	I220-I340 HydrophobicContact CD1-CG2 4.36Å; I220-I340 HydrophobicContact CG2-CD1 4.01Å; I220-I340 HydrophobicContact CG2-CG2 4.31Å; M224-I340 HydrophobicContact CE-CD1 4.16Å; W226-I340 HydrophobicContact CH2-CD1 4.35Å; W316-I340 PolarHBondContact O-N 2.97Å; V317-I340 CarbonylContact C-O 3.42Å; V317-I340 VanDerWaalsContact CA-O 3.29Å; V317-I340 WeakPolarHBondContact CA-O 3.11Å; G318-I340 PolarHBondContact N-O 3.4Å; G338-I340 PolarHBondContact O-N 3.39Å; I340-I484 HydrophobicContact CG2-CG2 3.8Å; I340-F485 CarbonylContact C-O 3.49Å; I340-F485 WeakPolarHBondContact CA-O 3.32Å; I340-Q486 HydrophobicContact CG1-CG 4.4Å; I340-I500 HydrophobicContact CG2-CD1 4.47Å; I340-M514 HydrophobicContact CD1-CE 3.78Å; I340-M514 HydrophobicContact CG1-CE 4.16Å; I340-W516 HydrophobicContact CD1-CH2 4.17Å
341	T	96.5	Very high	91.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	143.2	175.4	61.5	0	0	0	0	111.4	G318 W322 G323 F485	G318-T341 WeakPolarHBondContact O-CA 3.19Å; W322-T341 HydrophobicContact CB-CG2 4.05Å; W322-T341 HydrophobicContact CD2-CG2 3.65Å; W322-T341 HydrophobicContact CE3-CG2 4.17Å; W322-T341 HydrophobicContact CG-CG2 3.59Å; G323-T341 WeakPolarHBondContact O-CB 3.34Å; G323-T341 PolarHBondContact O-OG1 2.88Å; T341-F485 PolarHBondContact N-O 2.96Å; T341-F485 PolarHBondContact O-N 2.84Å
342	I	95.4	Very high	92.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	148	173.2	59.8	168.5	0	0	0	110.7	Q213 M217 I220 G318 D320 I484	Q213-I342 HydrophobicContact CB-CD1 3.65Å; Q213-I342 HydrophobicContact CG-CD1 3.84Å; Q213-I342 VanDerWaalsContact OE1-CD1 3.27Å; M217-I342 HydrophobicContact CG-CD1 3.79Å; M217-I342 HydrophobicContact CG-CG1 4.47Å; M217-I342 HydrophobicContact SD-CD1 4.04Å; I220-I342 HydrophobicContact CD1-CG2 3.77Å; G318-I342 PolarHBondContact O-N 2.86Å; D320-I342 WeakPolarHBondContact CA-O 3.47Å; I342-I484 HydrophobicContact CG2-CG1 4.3Å
343	L	92.9	Very high	92.2	Very high	9 Å²	9	33.6 Å²	33.6	5%	0.047	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	129.2	-179	-176.5	67.7	0	0	0	109.9	K345 Y482 D483 F485	L343-K345 PolarHBondContact O-N 2.88Å; L343-Y482 CarbonylContact O-C 3.48Å; L343-Y482 VanDerWaalsContact O-CA 3.29Å; L343-Y482 WeakPolarHBondContact O-CA 3.36Å; L343-D483 PolarHBondContact N-O 2.96Å; L343-D483 PolarHBondContact O-N 2.82Å; L343-F485 HydrophobicContact CB-CD2 4.23Å; L343-F485 HydrophobicContact CB-CE2 4.02Å; L343-F485 HydrophobicContact CD2-CD2 4.48Å; L343-F485 HydrophobicContact CD2-CE2 3.81Å; L343-F485 HydrophobicContact CD2-CZ 4.37Å
344	P	91.5	Very high	92.4	Very high	3 Å²	3	39 Å²	39	2%	0.019	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	130.7	173.5	-26.5	33.5	0	0	0	110.8	D320 R346 F415 Y482	D320-P344 VanDerWaalsContact CB-CD 3.45Å; D320-P344 HydrophobicContact CB-CG 4.03Å; P344-R346 PolarHBondContact O-N 2.84Å; P344-F415 HydrophobicContact CB-CE2 4.3Å; P344-F415 HydrophobicContact CB-CZ 4.09Å; P344-Y482 HydrophobicContact CB-CD1 4.46Å; P344-Y482 HydrophobicContact CB-CE1 4.48Å; P344-Y482 HydrophobicContact CG-CD1 4.2Å; P344-Y482 HydrophobicContact CG-CE1 4.02Å
345	K	88.8	Confident	92.7	Very high	96 Å²	96	34.9 Å²	34.9	42%	0.417	18%	0.178	S	C	.	.			trans	-60.5	118.6	-175	-175.9	159.5	-158.2	75.6	0	110.3	L343 R481 D483	L343-K345 PolarHBondContact O-N 2.88Å; K345-R481 HydrophobicContact CB-CB 4.14Å; K345-R481 PolarHBondContact N-O 3.05Å; K345-D483 WeakPolarHBondContact CG-OD2 3.33Å; K345-D483 IonicContact NZ-OD1 3.17Å; K345-D483 PolarHBondContact NZ-OD1 3.47Å; K345-D483 IonicContact NZ-OD2 3.94Å; K345-D483 PolarHBondContact NZ-OD2 3.27Å
346	R	88	Confident	92.8	Very high	55 Å²	55	34.8 Å²	34.8	21%	0.208	18%	0.177	C	C	.	.			trans	-148.1	154	-167.7	70.1	-164.6	-162.4	160.4	-3.6	110.8	P344 G411 F415	P344-R346 PolarHBondContact O-N 2.84Å; R346-G411 WeakPolarHBondContact CD-O 3.37Å; R346-G411 VanDerWaalsContact NH1-C 3.26Å; R346-G411 VanDerWaalsContact NH1-CA 3.26Å; R346-G411 PolarHBondContact NH1-O 3.04Å; R346-F415 HydrophobicContact CB-CE2 4.17Å; R346-F415 HydrophobicContact CB-CZ 4.01Å
347	V	86.8	Confident	92.8	Very high	77 Å²	77	40.1 Å²	40.1	47%	0.467	20%	0.197	S	C	.	.			trans	-133.4	146.9	179.6	177.1	0	0	0	0	109.6	Q414 A466	V347-Q414 PolarHBondContact O-OE1 3.11Å; V347-A466 HydrophobicContact CB-CB 3.81Å; V347-A466 HydrophobicContact CG1-CB 4.14Å
348	S	88.9	Confident	92.9	Very high	73 Å²	73	41.2 Å²	41.2	51%	0.51	21%	0.209	S	C	.	.			trans	-71.1	136.8	177.5	49.4	0	0	0	0	111.9	D350	S348-D350 PolarHBondContact O-N 3.41Å
349	V	93.3	Very high	92.9	Very high	8 Å²	8	43.2 Å²	43.2	5%	0.048	22%	0.215	C	C	.	.			trans	-94.5	96.3	-179.7	-174.7	0	0	0	0	110.2	A351 F352 D353 Q409 Q414 M417 A466	V349-A351 HydrophobicContact CG1-CB 4.19Å; V349-A351 PolarHBondContact O-N 3.26Å; V349-A351 VanDerWaalsContact O-N 3.07Å; V349-F352 HydrophobicContact CB-CB 4.13Å; V349-F352 HydrophobicContact CG1-CB 4.17Å; V349-F352 WeakPolarHBondContact O-CB 3.09Å; V349-F352 PolarHBondContact O-N 3.04Å; V349-D353 PolarHBondContact O-N 3.3Å; V349-D353 VanDerWaalsContact O-N 3.12Å; V349-Q409 PolarHBondContact O-NE2 2.95Å; V349-Q414 HydrophobicContact CG2-CB 4.21Å; V349-Q414 HydrophobicContact CG2-CG 4.15Å; V349-M417 HydrophobicContact CB-SD 4.47Å; V349-M417 HydrophobicContact CG1-CE 4.41Å; V349-M417 HydrophobicContact CG1-SD 4.03Å; V349-M417 HydrophobicContact CG2-SD 4.4Å; V349-A466 HydrophobicContact CG2-CB 4.25Å
350	D	92.6	Very high	92.7	Very high	109 Å²	109	44.1 Å²	44.1	58%	0.583	22%	0.221	S	C	*	.	H	α-helix	trans	-59.2	-21.2	-178.3	-64.5	-14.3	0	0	0	114.4	S348 R354	S348-D350 PolarHBondContact O-N 3.41Å; D350-R354 WeakPolarHBondContact O-CG 3.13Å; D350-R354 PolarHBondContact O-N 2.96Å; D350-R354 PolarHBondContact O-NE 2.8Å
351	A	93.3	Very high	92.3	Very high	37 Å²	37	45.5 Å²	45.5	31%	0.306	23%	0.228	S	C	.	.	H	α-helix	trans	-71.5	-41.2	172	0	0	0	0	0	111.6	F92 V349 Y355	F92-A351 HydrophobicContact CE1-CB 4.05Å; F92-A351 HydrophobicContact CZ-CB 3.99Å; V349-A351 HydrophobicContact CG1-CB 4.19Å; V349-A351 PolarHBondContact O-N 3.26Å; V349-A351 VanDerWaalsContact O-N 3.07Å; A351-Y355 WeakPolarHBondContact O-CB 3.31Å; A351-Y355 PolarHBondContact O-N 3.29Å
352	F	95.4	Very high	91.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-69.4	-38.4	176.1	-178.7	-102.8	0	0	0	111.5	H85 E88 A89 F92 V349 R354 Y355 F356 Q409 V413 M417	H85-F352 HydrophobicContact CB-CE1 4.33Å; H85-F352 HydrophobicContact CB-CZ 4.42Å; H85-F352 WeakPolarHBondContact O-CZ 3.26Å; E88-F352 HydrophobicContact CB-CE2 4.05Å; E88-F352 HydrophobicContact CB-CZ 4.11Å; A89-F352 HydrophobicContact CB-CD2 4.26Å; A89-F352 HydrophobicContact CB-CE2 3.94Å; A89-F352 HydrophobicContact CB-CZ 4.29Å; F92-F352 HydrophobicContact CB-CD2 4.2Å; F92-F352 HydrophobicContact CB-CE2 4.49Å; F92-F352 HydrophobicContact CD1-CB 4.1Å; F92-F352 AromaticContact CD1-CD2 3.75Å; F92-F352 HydrophobicContact CD1-CD2 3.75Å; F92-F352 HydrophobicContact CD1-CG 4.44Å; F92-F352 HydrophobicContact CE1-CB 4.08Å; F92-F352 HydrophobicContact CE1-CD2 4.5Å; F92-F352 HydrophobicContact CG-CD2 4.23Å; V349-F352 HydrophobicContact CB-CB 4.13Å; V349-F352 HydrophobicContact CG1-CB 4.17Å; V349-F352 WeakPolarHBondContact O-CB 3.09Å; V349-F352 PolarHBondContact O-N 3.04Å; F352-R354 PolarHBondContact O-N 2.89Å; F352-Y355 AromaticContact CD2-CD1 3.91Å; F352-Y355 HydrophobicContact CD2-CD1 3.91Å; F352-Y355 AromaticContact CE2-CD1 3.83Å; F352-Y355 HydrophobicContact CE2-CD1 3.83Å; F352-Y355 HydrophobicContact CE2-CE1 4.13Å; F352-Y355 WeakPolarHBondContact O-CB 3.39Å; F352-Y355 PolarHBondContact O-N 3.23Å; F352-F356 HydrophobicContact CE1-CB 4.1Å; F352-F356 HydrophobicContact CE1-CD2 4.14Å; F352-F356 HydrophobicContact CE1-CG 4.31Å; F352-F356 HydrophobicContact CE2-CB 4.5Å; F352-F356 HydrophobicContact CE2-CD2 4.28Å; F352-F356 HydrophobicContact CZ-CB 4.09Å; F352-F356 AromaticContact CZ-CD2 3.59Å; F352-F356 HydrophobicContact CZ-CD2 3.59Å; F352-F356 HydrophobicContact CZ-CE2 4.42Å; F352-F356 HydrophobicContact CZ-CG 4.16Å; F352-F356 WeakPolarHBondContact O-CB 3.46Å; F352-F356 PolarHBondContact O-N 2.96Å; F352-Q409 HydrophobicContact CD1-CG 4.17Å; F352-V413 HydrophobicContact CB-CG1 4.22Å; F352-V413 HydrophobicContact CD1-CG1 3.66Å; F352-V413 HydrophobicContact CD1-CG2 4.18Å; F352-V413 HydrophobicContact CD2-CG1 4.46Å; F352-V413 HydrophobicContact CE1-CG1 4.12Å; F352-V413 HydrophobicContact CE1-CG2 3.82Å; F352-V413 HydrophobicContact CG-CG1 3.84Å; F352-V413 HydrophobicContact CZ-CG2 4.35Å; F352-M417 HydrophobicContact CB-SD 4.38Å
353	D	94.1	Very high	91.5	Very high	23 Å²	23	53.7 Å²	53.7	12%	0.123	28%	0.279	C	S	.	.	H	α-helix	trans	-55.8	-48.4	175.3	-110.6	61.1	0	0	0	112.2	V349 F356 R357 Y407 Q409	V349-D353 PolarHBondContact O-N 3.3Å; V349-D353 VanDerWaalsContact O-N 3.12Å; D353-F356 PolarHBondContact O-N 2.98Å; D353-R357 WeakPolarHBondContact O-CB 3.46Å; D353-R357 WeakPolarHBondContact O-CG 3.29Å; D353-R357 PolarHBondContact O-N 3.27Å; D353-R357 IonicContact OD2-CZ 3.43Å; D353-R357 VanDerWaalsContact OD2-CZ 3.26Å; D353-R357 IonicContact OD2-NE 3.81Å; D353-R357 PolarHBondContact OD2-NE 3.42Å; D353-R357 IonicContact OD2-NH2 2.7Å; D353-R357 PolarHBondContact OD2-NH2 3.22Å; D353-Y407 WeakPolarHBondContact OD2-CE1 3.49Å; D353-Q409 PolarHBondContact OD1-NE2 2.98Å
354	R	94.3	Very high	91.3	Very high	180 Å²	180	53.5 Å²	53.5	68%	0.679	28%	0.278	S	S	*	.	H	α-helix	trans	-67.1	-41.3	176.1	-70.6	178.5	-70.1	160.3	-2.8	111.9	D350 F352 S358	D350-R354 WeakPolarHBondContact O-CG 3.13Å; D350-R354 PolarHBondContact O-N 2.96Å; D350-R354 PolarHBondContact O-NE 2.8Å; F352-R354 PolarHBondContact O-N 2.89Å; R354-S358 WeakPolarHBondContact O-CB 3.49Å; R354-S358 PolarHBondContact O-N 3.01Å; R354-S358 PolarHBondContact O-OG 3.3Å
355	Y	94.8	Very high	91.1	Very high	13 Å²	13	63 Å²	63	5%	0.051	31%	0.314	C	S	.	.	H	α-helix	trans	-56.5	-50.8	173.6	165.6	-86.2	0	0	0	111.8	E88 F92 A351 F352 S358 R359 R366	E88-Y355 HydrophobicContact CB-CE1 4.24Å; E88-Y355 WeakPolarHBondContact OE2-CE1 3.34Å; E88-Y355 PolarHBondContact OE2-OH 2.63Å; F92-Y355 HydrophobicContact CB-CD1 4.12Å; F92-Y355 HydrophobicContact CB-CD2 4.2Å; F92-Y355 HydrophobicContact CB-CE1 4.14Å; F92-Y355 HydrophobicContact CB-CE2 4.16Å; F92-Y355 HydrophobicContact CB-CG 4.2Å; F92-Y355 HydrophobicContact CD1-CG 4.43Å; F92-Y355 HydrophobicContact CD2-CD1 4.25Å; F92-Y355 AromaticContact CD2-CD2 3.17Å; F92-Y355 HydrophobicContact CD2-CD2 3.17Å; F92-Y355 AromaticContact CD2-CE2 3.77Å; F92-Y355 HydrophobicContact CD2-CE2 3.77Å; F92-Y355 AromaticContact CD2-CG 3.48Å; F92-Y355 HydrophobicContact CD2-CG 3.48Å; F92-Y355 VanDerWaalsContact CD2-CG 3.48Å; F92-Y355 AromaticContact CE2-CD2 3.67Å; F92-Y355 HydrophobicContact CE2-CD2 3.67Å; F92-Y355 AromaticContact CE2-CG 3.86Å; F92-Y355 HydrophobicContact CE2-CG 3.86Å; F92-Y355 HydrophobicContact CG-CD1 4.12Å; F92-Y355 AromaticContact CG-CD2 3.86Å; F92-Y355 HydrophobicContact CG-CD2 3.86Å; F92-Y355 HydrophobicContact CG-CE2 4.3Å; F92-Y355 AromaticContact CG-CG 3.79Å; F92-Y355 HydrophobicContact CG-CG 3.79Å; F92-Y355 HydrophobicContact CZ-CG 4.46Å; A351-Y355 WeakPolarHBondContact O-CB 3.31Å; A351-Y355 PolarHBondContact O-N 3.29Å; F352-Y355 AromaticContact CD2-CD1 3.91Å; F352-Y355 HydrophobicContact CD2-CD1 3.91Å; F352-Y355 AromaticContact CE2-CD1 3.83Å; F352-Y355 HydrophobicContact CE2-CD1 3.83Å; F352-Y355 HydrophobicContact CE2-CE1 4.13Å; F352-Y355 WeakPolarHBondContact O-CB 3.39Å; F352-Y355 PolarHBondContact O-N 3.23Å; Y355-S358 PolarHBondContact O-N 2.81Å; Y355-S358 PolarHBondContact O-OG 2.9Å; Y355-R359 VanDerWaalsContact CD2-NH2 3.34Å; Y355-R359 HydrophobicContact CE1-CG 4.2Å; Y355-R359 VanDerWaalsContact CE2-CZ 3.44Å; Y355-R359 PolarHBondContact O-NE 2.85Å; Y355-R366 PolarHBondContact OH-NH2 2.91Å
356	F	95	Very high	91.1	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-74.7	-44.7	-170.9	-165.8	-86.3	0	0	0	111.7	I84 H85 E88 F352 D353 S358 R359 F373 V401 Y407	I84-F356 HydrophobicContact CG2-CE2 4.15Å; I84-F356 HydrophobicContact CG2-CZ 4.22Å; H85-F356 AromaticContact CD2-CE1 3.78Å; H85-F356 AromaticContact CD2-CE2 3.65Å; H85-F356 AromaticContact CD2-CZ 3.31Å; H85-F356 WeakPolarHBondContact CD2-CZ 3.39Å; H85-F356 AromaticContact NE2-CE1 3.65Å; H85-F356 AromaticContact NE2-CZ 3.64Å; E88-F356 HydrophobicContact CB-CD2 4.06Å; E88-F356 HydrophobicContact CB-CE2 4.07Å; E88-F356 HydrophobicContact CG-CD2 4.27Å; E88-F356 HydrophobicContact CG-CE2 3.91Å; F352-F356 HydrophobicContact CE1-CB 4.1Å; F352-F356 HydrophobicContact CE1-CD2 4.14Å; F352-F356 HydrophobicContact CE1-CG 4.31Å; F352-F356 HydrophobicContact CE2-CB 4.5Å; F352-F356 HydrophobicContact CE2-CD2 4.28Å; F352-F356 HydrophobicContact CZ-CB 4.09Å; F352-F356 AromaticContact CZ-CD2 3.59Å; F352-F356 HydrophobicContact CZ-CD2 3.59Å; F352-F356 HydrophobicContact CZ-CE2 4.42Å; F352-F356 HydrophobicContact CZ-CG 4.16Å; F352-F356 WeakPolarHBondContact O-CB 3.46Å; F352-F356 PolarHBondContact O-N 2.96Å; D353-F356 PolarHBondContact O-N 2.98Å; F356-S358 PolarHBondContact O-N 3.45Å; F356-S358 VanDerWaalsContact O-N 3.12Å; F356-R359 WeakPolarHBondContact O-CB 3.49Å; F356-R359 PolarHBondContact O-N 3.36Å; F356-F373 HydrophobicContact CE1-CE1 4.18Å; F356-F373 AromaticContact CE1-CZ 3.84Å; F356-F373 HydrophobicContact CE1-CZ 3.84Å; F356-F373 AromaticContact CZ-CE1 3.91Å; F356-F373 HydrophobicContact CZ-CE1 3.91Å; F356-F373 HydrophobicContact CZ-CE2 4.34Å; F356-F373 AromaticContact CZ-CZ 3.65Å; F356-F373 HydrophobicContact CZ-CZ 3.65Å; F356-V401 HydrophobicContact CD1-CG1 4.05Å; F356-V401 HydrophobicContact CE1-CG1 4.02Å; F356-V401 HydrophobicContact CE1-CG2 4.43Å; F356-Y407 HydrophobicContact CB-CE2 4.4Å; F356-Y407 AromaticContact CD1-CD2 3.92Å; F356-Y407 HydrophobicContact CD1-CD2 3.92Å; F356-Y407 AromaticContact CD1-CE2 3.26Å; F356-Y407 HydrophobicContact CD1-CE2 3.26Å; F356-Y407 AromaticContact CD1-CZ 3.98Å; F356-Y407 HydrophobicContact CE1-CD2 4.12Å; F356-Y407 AromaticContact CE1-CE2 3.7Å; F356-Y407 HydrophobicContact CE1-CE2 3.7Å; F356-Y407 AromaticContact CG-CE2 3.99Å; F356-Y407 HydrophobicContact CG-CE2 3.99Å
357	R	93.5	Very high	91.3	Very high	113 Å²	113	59.1 Å²	59.1	43%	0.426	30%	0.297	S	S	.	.	H	α-helix	trans	-62.8	-18	175.2	-63.6	173.5	-164.5	-135.7	10.2	113.1	D353 Y407	D353-R357 WeakPolarHBondContact O-CB 3.46Å; D353-R357 WeakPolarHBondContact O-CG 3.29Å; D353-R357 PolarHBondContact O-N 3.27Å; D353-R357 IonicContact OD2-CZ 3.43Å; D353-R357 VanDerWaalsContact OD2-CZ 3.26Å; D353-R357 IonicContact OD2-NE 3.81Å; D353-R357 PolarHBondContact OD2-NE 3.42Å; D353-R357 IonicContact OD2-NH2 2.7Å; D353-R357 PolarHBondContact OD2-NH2 3.22Å; R357-Y407 HydrophobicContact CG-CD1 4.19Å; R357-Y407 HydrophobicContact CG-CE1 4.35Å
358	S	92.8	Very high	91.6	Very high	62 Å²	62	58.5 Å²	58.5	43%	0.434	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-9.6	173.2	77.5	0	0	0	0	114.9	R354 Y355 F356 N363	R354-S358 WeakPolarHBondContact O-CB 3.49Å; R354-S358 PolarHBondContact O-N 3.01Å; R354-S358 PolarHBondContact O-OG 3.3Å; Y355-S358 PolarHBondContact O-N 2.81Å; Y355-S358 PolarHBondContact O-OG 2.9Å; F356-S358 PolarHBondContact O-N 3.45Å; F356-S358 VanDerWaalsContact O-N 3.12Å; S358-N363 PolarHBondContact O-ND2 3.24Å
359	R	91.8	Very high	91.8	Very high	48 Å²	48	55.5 Å²	55.5	18%	0.181	27%	0.271	C	S	.	.			trans	-71.2	144	-178.6	-64.1	-64.4	121.6	-168.1	8.5	111.6	Y355 F356 N363 F370	Y355-R359 VanDerWaalsContact CD2-NH2 3.34Å; Y355-R359 HydrophobicContact CE1-CG 4.2Å; Y355-R359 VanDerWaalsContact CE2-CZ 3.44Å; Y355-R359 PolarHBondContact O-NE 2.85Å; F356-R359 WeakPolarHBondContact O-CB 3.49Å; F356-R359 PolarHBondContact O-N 3.36Å; R359-N363 WeakPolarHBondContact CA-OD1 3.35Å; R359-F370 HydrophobicContact CB-CE1 4.14Å; R359-F370 HydrophobicContact CB-CE2 4.02Å; R359-F370 HydrophobicContact CB-CZ 3.45Å; R359-F370 VanDerWaalsContact CB-CZ 3.45Å; R359-F370 HydrophobicContact CG-CZ 4.43Å
360	S	90	Very high	91.7	Very high	20 Å²	20	55.1 Å²	55.1	14%	0.14	27%	0.269	C	S	.	.			trans	-145.3	161.6	175.9	69.1	0	0	0	0	110.8	S362 N363 N364	S360-S362 PolarHBondContact O-N 3.49Å; S360-S362 VanDerWaalsContact O-N 3.11Å; S360-S362 PolarHBondContact OG-N 2.91Å; S360-S362 PolarHBondContact OG-OG 3.23Å; S360-N363 PolarHBondContact N-OD1 2.98Å; S360-N363 PolarHBondContact O-N 2.87Å; S360-N363 PolarHBondContact O-OD1 3.24Å; S360-N363 VanDerWaalsContact OG-CG 3.29Å; S360-N363 PolarHBondContact OG-N 2.97Å; S360-N363 VanDerWaalsContact OG-N 3.13Å; S360-N363 PolarHBondContact OG-ND2 3.33Å; S360-N364 PolarHBondContact O-N 3.35Å
361	L	87.8	Confident	91.6	Very high	30 Å²	30	52.1 Å²	52.1	16%	0.157	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.9	172.1	-66.2	173.6	0	0	0	114	R365 F370 A371 W374 L382	L361-R365 PolarHBondContact O-NE 3.06Å; L361-F370 HydrophobicContact CD2-CD1 4.34Å; L361-A371 HydrophobicContact CD2-CB 4.36Å; L361-W374 HydrophobicContact CD1-CB 4.21Å; L361-W374 HydrophobicContact CD1-CD2 4.01Å; L361-W374 HydrophobicContact CD1-CG 3.66Å; L361-W374 HydrophobicContact CD2-CB 3.74Å; L361-W374 HydrophobicContact CD2-CD2 4.2Å; L361-W374 HydrophobicContact CD2-CE3 4.5Å; L361-W374 HydrophobicContact CD2-CG 3.91Å; L361-W374 HydrophobicContact CG-CB 4.13Å; L361-W374 HydrophobicContact CG-CD2 3.7Å; L361-W374 HydrophobicContact CG-CE3 4.16Å; L361-W374 HydrophobicContact CG-CG 3.71Å; L361-L382 HydrophobicContact CD1-CD1 3.94Å; L361-L382 HydrophobicContact CD1-CD2 3.46Å; L361-L382 VanDerWaalsContact CD1-CD2 3.46Å; L361-L382 HydrophobicContact CD1-CG 4.31Å; L361-L382 HydrophobicContact CD2-CD1 4.21Å
362	S	86.1	Confident	91.4	Very high	95 Å²	95	52.5 Å²	52.5	66%	0.664	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-35.1	174.4	50.1	0	0	0	0	113	S360	S360-S362 PolarHBondContact O-N 3.49Å; S360-S362 VanDerWaalsContact O-N 3.11Å; S360-S362 PolarHBondContact OG-N 2.91Å; S360-S362 PolarHBondContact OG-OG 3.23Å
363	N	89.8	Confident	91.2	Very high	76 Å²	76	52.5 Å²	52.5	41%	0.406	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-15.2	-175	77.7	26.1	0	0	0	115.3	S358 R359 S360	S358-N363 PolarHBondContact O-ND2 3.24Å; R359-N363 WeakPolarHBondContact CA-OD1 3.35Å; S360-N363 PolarHBondContact N-OD1 2.98Å; S360-N363 PolarHBondContact O-N 2.87Å; S360-N363 PolarHBondContact O-OD1 3.24Å; S360-N363 VanDerWaalsContact OG-CG 3.29Å; S360-N363 PolarHBondContact OG-N 2.97Å; S360-N363 VanDerWaalsContact OG-N 3.13Å; S360-N363 PolarHBondContact OG-ND2 3.33Å
364	N	89.4	Confident	91.1	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.027	25%	0.248	C	C	.	.			trans	-111.8	72.2	179.3	-163.5	8	0	0	0	111.8	E88 S360 R366 F370	E88-N364 PolarHBondContact OE1-ND2 3Å; S360-N364 PolarHBondContact O-N 3.35Å; N364-R366 VanDerWaalsContact OD1-CG 3.3Å; N364-R366 WeakPolarHBondContact OD1-CG 3.22Å; N364-F370 HydrophobicContact CB-CD1 3.8Å; N364-F370 HydrophobicContact CB-CE1 4.04Å; N364-F370 HydrophobicContact CB-CG 4.13Å; N364-F370 WeakPolarHBondContact ND2-CD2 3.45Å; N364-F370 VanDerWaalsContact ND2-CG 3.3Å; N364-F370 WeakPolarHBondContact ND2-CG 3.35Å
365	R	86.1	Confident	90.9	Very high	204 Å²	204	44.4 Å²	44.4	77%	0.77	22%	0.223	S	C	*	.			trans	-88.4	-8	174.3	-65.2	-61.8	-175.2	150.1	1.2	114.1	L361	L361-R365 PolarHBondContact O-NE 3.06Å
366	R	90.6	Very high	90.6	Very high	64 Å²	64	48.3 Å²	48.3	24%	0.242	24%	0.242	C	C	.	.	S	Bend	trans	-81.8	-25.7	-178.7	64.6	178	-166.7	-178.7	-2.9	113.9	I51 L53 M91 D95 Y355 N364	I51-R366 VanDerWaalsContact CG2-O 3.29Å; I51-R366 WeakPolarHBondContact CG2-O 3.25Å; L53-R366 HydrophobicContact CD2-CB 4.31Å; M91-R366 HydrophobicContact CE-CB 4.1Å; M91-R366 HydrophobicContact CE-CG 3.64Å; D95-R366 VanDerWaalsContact CG-NH1 3.27Å; D95-R366 IonicContact OD1-CZ 2.71Å; D95-R366 IonicContact OD1-NH1 2.67Å; D95-R366 PolarHBondContact OD1-NH1 3.17Å; D95-R366 IonicContact OD1-NH2 2.99Å; D95-R366 IonicContact OD2-CZ 3.26Å; D95-R366 VanDerWaalsContact OD2-CZ 3.31Å; D95-R366 IonicContact OD2-NH1 2.66Å; D95-R366 PolarHBondContact OD2-NH1 2.85Å; D95-R366 VanDerWaalsContact OD2-NH1 3.09Å; D95-R366 IonicContact OD2-NH2 3.05Å; D95-R366 PolarHBondContact OD2-NH2 3.4Å; Y355-R366 PolarHBondContact OH-NH2 2.91Å; N364-R366 VanDerWaalsContact OD1-CG 3.3Å; N364-R366 WeakPolarHBondContact OD1-CG 3.22Å
367	N	91.9	Very high	90.3	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.027	25%	0.25	C	C	.	.			trans	-98	107.7	176	175.8	-0.4	0	0	0	109.8	I51 E88 M91 W369 F370	I51-N367 HydrophobicContact CD1-CB 4.09Å; E88-N367 VanDerWaalsContact OE1-CB 3.29Å; E88-N367 WeakPolarHBondContact OE1-CB 3.06Å; E88-N367 PolarHBondContact OE1-ND2 3.18Å; M91-N367 HydrophobicContact SD-CB 4.4Å; N367-W369 VanDerWaalsContact C-N 3.25Å; N367-W369 PolarHBondContact O-N 2.91Å; N367-W369 PolarHBondContact OD1-N 2.75Å; N367-F370 HydrophobicContact CB-CB 3.96Å; N367-F370 VanDerWaalsContact O-CB 3.28Å; N367-F370 WeakPolarHBondContact O-CB 3.35Å; N367-F370 PolarHBondContact O-N 3.06Å; N367-F370 VanDerWaalsContact O-N 3.11Å; N367-F370 PolarHBondContact OD1-N 2.75Å
368	V	91.6	Very high	90.2	Very high	63 Å²	63	44.8 Å²	44.8	38%	0.382	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-31.7	-177.3	-60.1	0	0	0	0	112.8	A48 I51 F370	A48-V368 HydrophobicContact CB-CG1 4.4Å; I51-V368 HydrophobicContact CG1-CG2 4.03Å; V368-F370 VanDerWaalsContact C-N 3.33Å
369	W	93.2	Very high	89.9	Confident	10 Å²	10	47.3 Å²	47.3	4%	0.038	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-3.1	178.8	-56.6	-69.2	0	0	0	113.3	I51 V65 H66 L78 I84 L87 D115 N367 A371 E372 F373	I51-W369 HydrophobicContact CD1-CE3 3.75Å; I51-W369 HydrophobicContact CD1-CZ3 3.61Å; I51-W369 HydrophobicContact CG1-CE3 4.13Å; I51-W369 HydrophobicContact CG1-CH2 4.49Å; I51-W369 HydrophobicContact CG1-CZ3 3.74Å; V65-W369 HydrophobicContact CG1-CB 3.94Å; V65-W369 HydrophobicContact CG1-CD2 3.98Å; V65-W369 HydrophobicContact CG1-CE3 4.31Å; V65-W369 HydrophobicContact CG1-CG 3.82Å; V65-W369 HydrophobicContact CG2-CD2 4.39Å; V65-W369 HydrophobicContact CG2-CE3 4.07Å; V65-W369 HydrophobicContact CG2-CZ3 4.22Å; H66-W369 AromaticContact CE1-CD1 3.71Å; H66-W369 AromaticContact CE1-NE1 3.91Å; L78-W369 HydrophobicContact CD1-CB 4.41Å; I84-W369 HydrophobicContact CD1-CB 3.83Å; L87-W369 HydrophobicContact CD1-CE3 3.65Å; L87-W369 HydrophobicContact CD1-CZ3 3.68Å; D115-W369 HydrophobicContact CB-CH2 4.4Å; D115-W369 HydrophobicContact CB-CZ2 4.15Å; N367-W369 VanDerWaalsContact C-N 3.25Å; N367-W369 PolarHBondContact O-N 2.91Å; N367-W369 PolarHBondContact OD1-N 2.75Å; W369-A371 VanDerWaalsContact C-N 3.26Å; W369-A371 PolarHBondContact O-N 3.05Å; W369-E372 PolarHBondContact O-N 2.96Å; W369-F373 WeakPolarHBondContact O-CB 3.07Å; W369-F373 PolarHBondContact O-N 2.95Å
370	F	91.8	Very high	89.8	Confident	1 Å²	1	45.1 Å²	45.1	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-69.6	-23.7	-179.5	-161.1	-100.6	0	0	0	113.2	I84 R359 L361 N364 N367 V368 F373 W374	I84-F370 HydrophobicContact CG2-CD2 4.48Å; R359-F370 HydrophobicContact CB-CE1 4.14Å; R359-F370 HydrophobicContact CB-CE2 4.02Å; R359-F370 HydrophobicContact CB-CZ 3.45Å; R359-F370 VanDerWaalsContact CB-CZ 3.45Å; R359-F370 HydrophobicContact CG-CZ 4.43Å; L361-F370 HydrophobicContact CD2-CD1 4.34Å; N364-F370 HydrophobicContact CB-CD1 3.8Å; N364-F370 HydrophobicContact CB-CE1 4.04Å; N364-F370 HydrophobicContact CB-CG 4.13Å; N364-F370 WeakPolarHBondContact ND2-CD2 3.45Å; N364-F370 VanDerWaalsContact ND2-CG 3.3Å; N364-F370 WeakPolarHBondContact ND2-CG 3.35Å; N367-F370 HydrophobicContact CB-CB 3.96Å; N367-F370 VanDerWaalsContact O-CB 3.28Å; N367-F370 WeakPolarHBondContact O-CB 3.35Å; N367-F370 PolarHBondContact O-N 3.06Å; N367-F370 VanDerWaalsContact O-N 3.11Å; N367-F370 PolarHBondContact OD1-N 2.75Å; V368-F370 VanDerWaalsContact C-N 3.33Å; F370-F373 AromaticContact CD2-CD1 3.87Å; F370-F373 HydrophobicContact CD2-CD1 3.87Å; F370-F373 AromaticContact CE2-CD1 3.63Å; F370-F373 HydrophobicContact CE2-CD1 3.63Å; F370-F373 AromaticContact CE2-CE1 3.84Å; F370-F373 HydrophobicContact CE2-CE1 3.84Å; F370-F373 HydrophobicContact CZ-CD1 4.09Å; F370-F373 HydrophobicContact CZ-CE1 4.15Å; F370-W374 HydrophobicContact CD1-CE3 4.44Å; F370-W374 AromaticContact CE1-CE3 3.58Å; F370-W374 HydrophobicContact CE1-CE3 3.58Å; F370-W374 AromaticContact CE1-CZ3 3.77Å; F370-W374 HydrophobicContact CE1-CZ3 3.77Å; F370-W374 AromaticContact CZ-CE3 3.97Å; F370-W374 HydrophobicContact CZ-CE3 3.97Å; F370-W374 AromaticContact CZ-CZ3 3.97Å; F370-W374 HydrophobicContact CZ-CZ3 3.97Å; F370-W374 PolarHBondContact O-N 2.87Å; F370-W374 VanDerWaalsContact O-N 3.13Å
371	A	89.6	Confident	89.6	Confident	45 Å²	45	50.1 Å²	50.1	37%	0.372	25%	0.248	S	C	.	.	H	α-helix	trans	-69.2	-47	173.6	0	0	0	0	0	111.8	L361 W369 W374 E375 L382	L361-A371 HydrophobicContact CD2-CB 4.36Å; W369-A371 VanDerWaalsContact C-N 3.26Å; W369-A371 PolarHBondContact O-N 3.05Å; A371-W374 WeakPolarHBondContact O-CB 3.26Å; A371-W374 PolarHBondContact O-N 3.12Å; A371-W374 VanDerWaalsContact O-N 3.15Å; A371-E375 PolarHBondContact O-N 2.86Å; A371-L382 HydrophobicContact CB-CD1 4.08Å
372	E	90.3	Very high	89.3	Confident	45 Å²	45	50.9 Å²	50.9	21%	0.21	25%	0.251	C	S	.	.	H	α-helix	trans	-64.8	-43.2	176.2	-172.7	178.1	-171.3	0	0	111.3	H66 L78 W369 W374 E375 E376	H66-E372 IonicContact CE1-OE2 2.96Å; H66-E372 IonicContact NE2-OE1 3.63Å; H66-E372 IonicContact NE2-OE2 3.95Å; H66-E372 PolarHBondContact NE2-OE2 3.08Å; L78-E372 HydrophobicContact CB-CG 4.47Å; L78-E372 HydrophobicContact CD1-CB 3.91Å; L78-E372 HydrophobicContact CD1-CG 3.77Å; W369-E372 PolarHBondContact O-N 2.96Å; E372-W374 PolarHBondContact O-N 2.96Å; E372-E375 PolarHBondContact O-N 3.38Å; E372-E376 VanDerWaalsContact O-CB 3.32Å; E372-E376 WeakPolarHBondContact O-CB 3.46Å; E372-E376 PolarHBondContact O-N 3.38Å
373	F	91.9	Very high	88.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-53.6	-39.3	170.1	169.4	-102.4	0	0	0	112.6	L78 K80 I84 F356 W369 F370 N377 V401	L78-F373 HydrophobicContact CD1-CB 4.34Å; L78-F373 HydrophobicContact CD2-CB 4.2Å; L78-F373 HydrophobicContact CD2-CD2 4.21Å; K80-F373 HydrophobicContact CB-CD2 4.34Å; K80-F373 HydrophobicContact CB-CE2 4.04Å; K80-F373 HydrophobicContact CG-CD2 4.26Å; K80-F373 HydrophobicContact CG-CE2 4.24Å; I84-F373 HydrophobicContact CB-CD2 4.12Å; I84-F373 HydrophobicContact CB-CG 4.49Å; I84-F373 HydrophobicContact CD1-CB 4.46Å; I84-F373 HydrophobicContact CG1-CB 4.13Å; I84-F373 HydrophobicContact CG1-CD2 4.08Å; I84-F373 HydrophobicContact CG1-CG 4.3Å; I84-F373 HydrophobicContact CG2-CB 4.48Å; I84-F373 HydrophobicContact CG2-CD1 4.43Å; I84-F373 HydrophobicContact CG2-CD2 4.07Å; I84-F373 HydrophobicContact CG2-CE2 4.47Å; I84-F373 HydrophobicContact CG2-CG 4.04Å; F356-F373 HydrophobicContact CE1-CE1 4.18Å; F356-F373 AromaticContact CE1-CZ 3.84Å; F356-F373 HydrophobicContact CE1-CZ 3.84Å; F356-F373 AromaticContact CZ-CE1 3.91Å; F356-F373 HydrophobicContact CZ-CE1 3.91Å; F356-F373 HydrophobicContact CZ-CE2 4.34Å; F356-F373 AromaticContact CZ-CZ 3.65Å; F356-F373 HydrophobicContact CZ-CZ 3.65Å; W369-F373 WeakPolarHBondContact O-CB 3.07Å; W369-F373 PolarHBondContact O-N 2.95Å; F370-F373 AromaticContact CD2-CD1 3.87Å; F370-F373 HydrophobicContact CD2-CD1 3.87Å; F370-F373 AromaticContact CE2-CD1 3.63Å; F370-F373 HydrophobicContact CE2-CD1 3.63Å; F370-F373 AromaticContact CE2-CE1 3.84Å; F370-F373 HydrophobicContact CE2-CE1 3.84Å; F370-F373 HydrophobicContact CZ-CD1 4.09Å; F370-F373 HydrophobicContact CZ-CE1 4.15Å; F373-N377 HydrophobicContact CD2-CB 4.41Å; F373-N377 HydrophobicContact CE1-CB 4.34Å; F373-N377 HydrophobicContact CE2-CB 4.03Å; F373-N377 HydrophobicContact CZ-CB 3.98Å; F373-N377 WeakPolarHBondContact O-CB 3.36Å; F373-N377 PolarHBondContact O-N 3.26Å; F373-V401 HydrophobicContact CE1-CG2 4.43Å
374	W	91.2	Very high	86.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-69.5	-41.7	-179.4	-158.6	-86.7	0	0	0	112.6	L361 F370 A371 E372 F378 E399	L361-W374 HydrophobicContact CD1-CB 4.21Å; L361-W374 HydrophobicContact CD1-CD2 4.01Å; L361-W374 HydrophobicContact CD1-CG 3.66Å; L361-W374 HydrophobicContact CD2-CB 3.74Å; L361-W374 HydrophobicContact CD2-CD2 4.2Å; L361-W374 HydrophobicContact CD2-CE3 4.5Å; L361-W374 HydrophobicContact CD2-CG 3.91Å; L361-W374 HydrophobicContact CG-CB 4.13Å; L361-W374 HydrophobicContact CG-CD2 3.7Å; L361-W374 HydrophobicContact CG-CE3 4.16Å; L361-W374 HydrophobicContact CG-CG 3.71Å; F370-W374 HydrophobicContact CD1-CE3 4.44Å; F370-W374 AromaticContact CE1-CE3 3.58Å; F370-W374 HydrophobicContact CE1-CE3 3.58Å; F370-W374 AromaticContact CE1-CZ3 3.77Å; F370-W374 HydrophobicContact CE1-CZ3 3.77Å; F370-W374 AromaticContact CZ-CE3 3.97Å; F370-W374 HydrophobicContact CZ-CE3 3.97Å; F370-W374 AromaticContact CZ-CZ3 3.97Å; F370-W374 HydrophobicContact CZ-CZ3 3.97Å; F370-W374 PolarHBondContact O-N 2.87Å; F370-W374 VanDerWaalsContact O-N 3.13Å; A371-W374 WeakPolarHBondContact O-CB 3.26Å; A371-W374 PolarHBondContact O-N 3.12Å; A371-W374 VanDerWaalsContact O-N 3.15Å; E372-W374 PolarHBondContact O-N 2.96Å; W374-F378 AromaticContact CD1-CD2 3.72Å; W374-F378 AromaticContact CD2-CD2 3.8Å; W374-F378 HydrophobicContact CD2-CD2 3.8Å; W374-F378 AromaticContact CD2-CE2 3.54Å; W374-F378 HydrophobicContact CD2-CE2 3.54Å; W374-F378 AromaticContact CE2-CD2 3.72Å; W374-F378 AromaticContact CE2-CE2 3.48Å; W374-F378 VanDerWaalsContact CE2-CE2 3.48Å; W374-F378 HydrophobicContact CE3-CD2 4.44Å; W374-F378 AromaticContact CE3-CE2 3.78Å; W374-F378 HydrophobicContact CE3-CE2 3.78Å; W374-F378 AromaticContact CG-CD2 3.87Å; W374-F378 HydrophobicContact CG-CD2 3.87Å; W374-F378 HydrophobicContact CG-CE2 4.11Å; W374-F378 AromaticContact CH2-CE2 3.93Å; W374-F378 HydrophobicContact CH2-CE2 3.93Å; W374-F378 HydrophobicContact CH2-CZ 4.39Å; W374-F378 HydrophobicContact CZ2-CD2 4.33Å; W374-F378 AromaticContact CZ2-CE2 3.72Å; W374-F378 HydrophobicContact CZ2-CE2 3.72Å; W374-F378 HydrophobicContact CZ2-CZ 4.36Å; W374-F378 AromaticContact CZ3-CE2 3.95Å; W374-F378 HydrophobicContact CZ3-CE2 3.95Å; W374-F378 AromaticContact NE1-CD2 3.64Å; W374-F378 AromaticContact NE1-CE2 3.91Å; W374-F378 WeakPolarHBondContact O-CD2 3.3Å; W374-F378 PolarHBondContact O-N 3.18Å; W374-E399 VanDerWaalsContact CH2-O 3.29Å; W374-E399 WeakPolarHBondContact CH2-O 3.4Å; W374-E399 HydrophobicContact CZ2-CB 3.76Å; W374-E399 WeakPolarHBondContact CZ2-O 3.29Å; W374-E399 PolarHBondContact NE1-OE2 3.13Å
375	E	89.9	Confident	84.7	Confident	34 Å²	34	61.2 Å²	61.2	16%	0.159	31%	0.306	C	S	.	.	H	α-helix	trans	-58.5	-50.3	174	-67.4	-157.9	155.4	0	0	111.1	A371 E372 D379 C380 R381 L382	A371-E375 PolarHBondContact O-N 2.86Å; E372-E375 PolarHBondContact O-N 3.38Å; E375-D379 WeakPolarHBondContact O-CA 3.48Å; E375-D379 PolarHBondContact O-N 2.88Å; E375-D379 VanDerWaalsContact O-N 3.08Å; E375-C380 CarbonylContact C-O 3.45Å; E375-C380 WeakPolarHBondContact CA-O 3.45Å; E375-C380 WeakPolarHBondContact CB-O 3.27Å; E375-C380 WeakPolarHBondContact CG-O 3.42Å; E375-C380 PolarHBondContact O-N 3.46Å; E375-C380 VanDerWaalsContact O-N 3.11Å; E375-R381 WeakPolarHBondContact OE1-CA 3.35Å; E375-R381 WeakPolarHBondContact OE2-CD 3.36Å; E375-R381 IonicContact OE2-CZ 3.87Å; E375-R381 IonicContact OE2-NE 3.99Å; E375-R381 IonicContact OE2-NH1 3.39Å; E375-R381 PolarHBondContact OE2-NH1 2.92Å; E375-L382 HydrophobicContact CG-CB 4.4Å; E375-L382 HydrophobicContact CG-CD1 4.06Å; E375-L382 HydrophobicContact CG-CG 4.01Å; E375-L382 WeakPolarHBondContact OE1-CB 3.37Å; E375-L382 PolarHBondContact OE1-N 3.42Å
376	E	87.8	Confident	82.9	Confident	95 Å²	95	55.3 Å²	55.3	44%	0.444	31%	0.31	S	S	.	.	H	α-helix	trans	-72.4	-32.4	-174.2	-167.5	26.3	-118.8	0	0	111.6	K80 E372	K80-E376 WeakPolarHBondContact CE-O 3.41Å; K80-E376 WeakPolarHBondContact CE-OE1 3.38Å; K80-E376 PolarHBondContact NZ-O 2.95Å; K80-E376 IonicContact NZ-OE1 3.72Å; K80-E376 PolarHBondContact NZ-OE1 3.04Å; E372-E376 VanDerWaalsContact O-CB 3.32Å; E372-E376 WeakPolarHBondContact O-CB 3.46Å; E372-E376 PolarHBondContact O-N 3.38Å
377	N	89.9	Confident	80.7	Confident	30 Å²	30	61.7 Å²	61.7	16%	0.16	34%	0.339	C	S	.	.	H	α-helix	trans	-78.3	-29.6	178.6	-177.4	76.7	0	0	0	114.2	F373 S405	F373-N377 HydrophobicContact CD2-CB 4.41Å; F373-N377 HydrophobicContact CE1-CB 4.34Å; F373-N377 HydrophobicContact CE2-CB 4.03Å; F373-N377 HydrophobicContact CZ-CB 3.98Å; F373-N377 WeakPolarHBondContact O-CB 3.36Å; F373-N377 PolarHBondContact O-N 3.26Å; N377-S405 WeakPolarHBondContact ND2-CB 3.15Å; N377-S405 PolarHBondContact ND2-OG 3.2Å
378	F	90.3	Very high	78.6	Confident	9 Å²	9	73.8 Å²	73.8	4%	0.039	38%	0.384	C	S	.	.	H	α-helix	trans	-112.2	7.6	-176.1	-64.4	-69.4	0	0	0	114.6	W374 K393 E399 V401 D404	W374-F378 AromaticContact CD1-CD2 3.72Å; W374-F378 AromaticContact CD2-CD2 3.8Å; W374-F378 HydrophobicContact CD2-CD2 3.8Å; W374-F378 AromaticContact CD2-CE2 3.54Å; W374-F378 HydrophobicContact CD2-CE2 3.54Å; W374-F378 AromaticContact CE2-CD2 3.72Å; W374-F378 AromaticContact CE2-CE2 3.48Å; W374-F378 VanDerWaalsContact CE2-CE2 3.48Å; W374-F378 HydrophobicContact CE3-CD2 4.44Å; W374-F378 AromaticContact CE3-CE2 3.78Å; W374-F378 HydrophobicContact CE3-CE2 3.78Å; W374-F378 AromaticContact CG-CD2 3.87Å; W374-F378 HydrophobicContact CG-CD2 3.87Å; W374-F378 HydrophobicContact CG-CE2 4.11Å; W374-F378 AromaticContact CH2-CE2 3.93Å; W374-F378 HydrophobicContact CH2-CE2 3.93Å; W374-F378 HydrophobicContact CH2-CZ 4.39Å; W374-F378 HydrophobicContact CZ2-CD2 4.33Å; W374-F378 AromaticContact CZ2-CE2 3.72Å; W374-F378 HydrophobicContact CZ2-CE2 3.72Å; W374-F378 HydrophobicContact CZ2-CZ 4.36Å; W374-F378 AromaticContact CZ3-CE2 3.95Å; W374-F378 HydrophobicContact CZ3-CE2 3.95Å; W374-F378 AromaticContact NE1-CD2 3.64Å; W374-F378 AromaticContact NE1-CE2 3.91Å; W374-F378 WeakPolarHBondContact O-CD2 3.3Å; W374-F378 PolarHBondContact O-N 3.18Å; F378-K393 PolarHBondContact O-NZ 3.1Å; F378-E399 HydrophobicContact CB-CG 4.35Å; F378-E399 HydrophobicContact CD1-CB 3.83Å; F378-E399 HydrophobicContact CD1-CG 4.13Å; F378-E399 HydrophobicContact CD2-CB 3.94Å; F378-E399 HydrophobicContact CD2-CG 4.34Å; F378-E399 HydrophobicContact CE1-CB 3.75Å; F378-E399 HydrophobicContact CE2-CB 3.87Å; F378-E399 HydrophobicContact CG-CB 3.93Å; F378-E399 HydrophobicContact CG-CG 4.03Å; F378-E399 HydrophobicContact CZ-CB 3.77Å; F378-V401 HydrophobicContact CE2-CG2 4.3Å; F378-V401 HydrophobicContact CZ-CG2 3.84Å; F378-D404 HydrophobicContact CD1-CB 4.19Å; F378-D404 HydrophobicContact CE1-CB 3.93Å
379	D	88.1	Confident	76.8	Confident	114 Å²	114	75.7 Å²	75.7	61%	0.61	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.9	64.2	-172.8	-174.8	22	0	0	0	111.5	E375	E375-D379 WeakPolarHBondContact O-CA 3.48Å; E375-D379 PolarHBondContact O-N 2.88Å; E375-D379 VanDerWaalsContact O-N 3.08Å
380	C	88.3	Confident	74.8	Confident	2 Å²	2	81.8 Å²	81.8	1%	0.014	44%	0.44	C	S	.	.			trans	-150.7	162.3	-178.1	67.4	0	0	0	0	112	E375 K393 C395	E375-C380 CarbonylContact C-O 3.45Å; E375-C380 WeakPolarHBondContact CA-O 3.45Å; E375-C380 WeakPolarHBondContact CB-O 3.27Å; E375-C380 WeakPolarHBondContact CG-O 3.42Å; E375-C380 PolarHBondContact O-N 3.46Å; E375-C380 VanDerWaalsContact O-N 3.11Å; C380-K393 CarbonylContact C-O 3.53Å; C380-K393 WeakPolarHBondContact CA-O 3.42Å; C380-K393 HydrophobicContact CB-CB 4.35Å; C380-K393 HydrophobicContact CB-CD 4.25Å; C380-K393 HydrophobicContact CB-CG 4.01Å; C380-K393 WeakPolarHBondContact CB-O 3.41Å; C380-C395 HydrophobicContact CB-CB 3.99Å; C380-C395 WeakPolarHBondContact CB-SG 3.46Å; C380-C395 PolarHBondContact O-SG 3.04Å; C380-C395 WeakPolarHBondContact SG-CA 3.26Å; C380-C395 WeakPolarHBondContact SG-CB 3.36Å; C380-C395 CovalentContact SG-SG 2.04Å; C380-C395 PolarHBondContact SG-SG 2.81Å
381	R	85.3	Confident	73.3	Confident	126 Å²	126	86.2 Å²	86.2	48%	0.475	48%	0.477	S	S	.	.	B	Isolated β-bridge	trans	-110.9	136.5	174.2	-64.8	-61.3	-170.1	-179.2	-3.3	112.8	E375 Q392 K393 K394 C395	E375-R381 WeakPolarHBondContact OE1-CA 3.35Å; E375-R381 WeakPolarHBondContact OE2-CD 3.36Å; E375-R381 IonicContact OE2-CZ 3.87Å; E375-R381 IonicContact OE2-NE 3.99Å; E375-R381 IonicContact OE2-NH1 3.39Å; E375-R381 PolarHBondContact OE2-NH1 2.92Å; R381-Q392 HydrophobicContact CG-CB 4.28Å; R381-K393 PolarHBondContact N-O 3.02Å; R381-K394 WeakPolarHBondContact O-CA 3.34Å; R381-C395 VanDerWaalsContact C-SG 3.54Å; R381-C395 PolarHBondContact O-N 2.63Å
382	L	82.4	Confident	72.2	Confident	45 Å²	45	88.5 Å²	88.5	24%	0.236	48%	0.48	C	S	.	.			trans	-81.5	123.6	166	-66.3	167.9	0	0	0	108	L361 A371 E375 M384 C395	L361-L382 HydrophobicContact CD1-CD1 3.94Å; L361-L382 HydrophobicContact CD1-CD2 3.46Å; L361-L382 VanDerWaalsContact CD1-CD2 3.46Å; L361-L382 HydrophobicContact CD1-CG 4.31Å; L361-L382 HydrophobicContact CD2-CD1 4.21Å; A371-L382 HydrophobicContact CB-CD1 4.08Å; E375-L382 HydrophobicContact CG-CB 4.4Å; E375-L382 HydrophobicContact CG-CD1 4.06Å; E375-L382 HydrophobicContact CG-CG 4.01Å; E375-L382 WeakPolarHBondContact OE1-CB 3.37Å; E375-L382 PolarHBondContact OE1-N 3.42Å; L382-M384 PolarHBondContact O-N 2.98Å; L382-C395 HydrophobicContact CD2-CB 3.68Å; L382-C395 HydrophobicContact CG-CB 4.24Å
383	G	63.5	Low	71.8	Confident	68 Å²	68	91.9 Å²	91.9	70%	0.701	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	37.8	-167.1	0	0	0	0	0	116.2
384	M	57.1	Low	71.5	Confident	167 Å²	167	99.3 Å²	99.3	82%	0.823	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-17.9	-175.1	-75.4	-174.2	62.8	0	0	115.2	L382	L382-M384 PolarHBondContact O-N 2.98Å
385	H	48	Very low	71.2	Confident	158 Å²	158	99.8 Å²	99.8	73%	0.731	53%	0.53	S	S	*	.	S	Bend	trans	-122.7	147.1	177	-78.2	-1.6	0	0	0	112.9
386	G	48.1	Very low	70.9	Confident	81 Å²	81	102.9 Å²	102.9	84%	0.835	55%	0.551	S	S	*	*	S	Bend	trans	-104.1	94.3	-149.5	0	0	0	0	0	116.6
387	K	43.8	Very low	70.5	Confident	198 Å²	198	99.7 Å²	99.7	86%	0.861	54%	0.544	S	S	*	.			trans	-160.4	121.3	137.2	-112.3	169.7	-174	174.1	0	110.1	T389	K387-T389 PolarHBondContact O-N 2.73Å
388	R	48.3	Very low	70.2	Confident	258 Å²	258	104.8 Å²	104.8	97%	0.974	57%	0.57	S	S	*	*			trans	-77.1	88.2	176.9	-77	-177.7	172.4	178	-1.9	110.7
389	T	53.3	Low	70.2	Confident	104 Å²	104	105.1 Å²	105.1	64%	0.638	57%	0.572	S	S	*	*			trans	-77	126.8	156.3	44.8	0	0	0	0	108.5	K387 A391	K387-T389 PolarHBondContact O-N 2.73Å; T389-A391 PolarHBondContact O-N 2.79Å
390	S	52.8	Low	70.2	Confident	137 Å²	137	105.5 Å²	105.5	96%	0.958	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	27.2	-164.9	52.2	0	0	0	0	115.3
391	A	59.9	Low	70.3	Confident	95 Å²	95	105.7 Å²	105.7	79%	0.785	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.8	-18.5	-168.5	0	0	0	0	0	115.9	T389	T389-A391 PolarHBondContact O-N 2.79Å
392	Q	66	Low	70.4	Confident	93 Å²	93	101.5 Å²	101.5	44%	0.435	57%	0.566	S	S	.	*	S	Bend	trans	-91.5	139.2	179.2	-69.6	-158	-69.8	0	0	112.6	R381	R381-Q392 HydrophobicContact CG-CB 4.28Å
393	K	82.8	Confident	70.7	Confident	115 Å²	115	107.5 Å²	107.5	50%	0.5	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-60.1	136.4	173.7	172.8	-177	162.1	-153.7	0	110.4	F378 C380 R381	F378-K393 PolarHBondContact O-NZ 3.1Å; C380-K393 CarbonylContact C-O 3.53Å; C380-K393 WeakPolarHBondContact CA-O 3.42Å; C380-K393 HydrophobicContact CB-CB 4.35Å; C380-K393 HydrophobicContact CB-CD 4.25Å; C380-K393 HydrophobicContact CB-CG 4.01Å; C380-K393 WeakPolarHBondContact CB-O 3.41Å; R381-K393 PolarHBondContact N-O 3.02Å
394	K	84.1	Confident	71.8	Confident	157 Å²	157	107.7 Å²	107.7	68%	0.683	57%	0.57	S	S	*	*	B	Isolated β-bridge	trans	-85.4	134.6	172.6	-168.8	-169.7	173.8	-170.5	0	109.8	R381	R381-K394 WeakPolarHBondContact O-CA 3.34Å
395	C	85.3	Confident	73.2	Confident	9 Å²	9	100.4 Å²	100.4	6%	0.061	54%	0.536	C	S	.	.	P	Polyproline II helix	trans	-67.3	139.7	171.4	-52	0	0	0	0	110.4	C380 R381 L382	C380-C395 HydrophobicContact CB-CB 3.99Å; C380-C395 WeakPolarHBondContact CB-SG 3.46Å; C380-C395 PolarHBondContact O-SG 3.04Å; C380-C395 WeakPolarHBondContact SG-CA 3.26Å; C380-C395 WeakPolarHBondContact SG-CB 3.36Å; C380-C395 CovalentContact SG-SG 2.04Å; C380-C395 PolarHBondContact SG-SG 2.81Å; R381-C395 VanDerWaalsContact C-SG 3.54Å; R381-C395 PolarHBondContact O-N 2.63Å; L382-C395 HydrophobicContact CD2-CB 3.68Å; L382-C395 HydrophobicContact CG-CB 4.24Å
396	T	82.9	Confident	75	Confident	99 Å²	99	100.5 Å²	100.5	61%	0.607	54%	0.541	S	S	*	.			trans	-91.8	-26.3	177.9	67	0	0	0	0	112.7	L398 E399	T396-L398 PolarHBondContact OG1-N 2.91Å; T396-L398 VanDerWaalsContact OG1-N 3.11Å; T396-E399 WeakPolarHBondContact CA-OE1 3.48Å; T396-E399 WeakPolarHBondContact CB-OE1 3.45Å; T396-E399 PolarHBondContact N-OE1 3.22Å; T396-E399 PolarHBondContact OG1-OE1 2.7Å; T396-E399 PolarHBondContact OG1-OE2 2.93Å
397	G	80.7	Confident	76.9	Confident	29 Å²	29	98.3 Å²	98.3	30%	0.299	51%	0.508	S	S	.	.	S	Bend	trans	79.3	4	-170.2	0	0	0	0	0	113.7	E399	G397-E399 WeakPolarHBondContact CA-OE2 3.24Å; G397-E399 PolarHBondContact N-OE2 3.05Å
398	L	84	Confident	78.9	Confident	136 Å²	136	94.9 Å²	94.9	71%	0.712	50%	0.495	S	S	*	.			trans	-105.7	2.4	175.3	-60.3	177.1	0	0	0	112.6	T396 R403	T396-L398 PolarHBondContact OG1-N 2.91Å; T396-L398 VanDerWaalsContact OG1-N 3.11Å; L398-R403 PolarHBondContact O-NH2 3.14Å
399	E	88.7	Confident	80.9	Confident	16 Å²	16	83.7 Å²	83.7	8%	0.075	45%	0.454	C	S	.	.			trans	-63.5	153.5	173	-56.8	77.6	-159.1	0	0	111.2	W374 F378 T396 G397 D404	W374-E399 VanDerWaalsContact CH2-O 3.29Å; W374-E399 WeakPolarHBondContact CH2-O 3.4Å; W374-E399 HydrophobicContact CZ2-CB 3.76Å; W374-E399 WeakPolarHBondContact CZ2-O 3.29Å; W374-E399 PolarHBondContact NE1-OE2 3.13Å; F378-E399 HydrophobicContact CB-CG 4.35Å; F378-E399 HydrophobicContact CD1-CB 3.83Å; F378-E399 HydrophobicContact CD1-CG 4.13Å; F378-E399 HydrophobicContact CD2-CB 3.94Å; F378-E399 HydrophobicContact CD2-CG 4.34Å; F378-E399 HydrophobicContact CE1-CB 3.75Å; F378-E399 HydrophobicContact CE2-CB 3.87Å; F378-E399 HydrophobicContact CG-CB 3.93Å; F378-E399 HydrophobicContact CG-CG 4.03Å; F378-E399 HydrophobicContact CZ-CB 3.77Å; T396-E399 WeakPolarHBondContact CA-OE1 3.48Å; T396-E399 WeakPolarHBondContact CB-OE1 3.45Å; T396-E399 PolarHBondContact N-OE1 3.22Å; T396-E399 PolarHBondContact OG1-OE1 2.7Å; T396-E399 PolarHBondContact OG1-OE2 2.93Å; G397-E399 WeakPolarHBondContact CA-OE2 3.24Å; G397-E399 PolarHBondContact N-OE2 3.05Å; E399-D404 VanDerWaalsContact CA-OD2 3.29Å; E399-D404 WeakPolarHBondContact CA-OD2 3.29Å; E399-D404 HydrophobicContact CB-CB 4.46Å
400	K	89.6	Confident	82.6	Confident	123 Å²	123	79.3 Å²	79.3	54%	0.535	43%	0.426	S	S	.	.			trans	-136.1	128.4	176.8	-68.9	-168.5	176	-172.7	0	112	G402 R403 D404	K400-G402 PolarHBondContact O-N 3.34Å; K400-R403 HydrophobicContact CB-CB 4.21Å; K400-R403 PolarHBondContact O-N 3.04Å; K400-D404 PolarHBondContact N-OD2 3.13Å; K400-D404 PolarHBondContact O-N 3.28Å
401	V	90.5	Very high	84.2	Confident	6 Å²	6	73.4 Å²	73.4	4%	0.036	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-61.7	128.6	176.1	177.3	0	0	0	0	109.5	F356 F373 F378 R403 Y407	F356-V401 HydrophobicContact CD1-CG1 4.05Å; F356-V401 HydrophobicContact CE1-CG1 4.02Å; F356-V401 HydrophobicContact CE1-CG2 4.43Å; F373-V401 HydrophobicContact CE1-CG2 4.43Å; F378-V401 HydrophobicContact CE2-CG2 4.3Å; F378-V401 HydrophobicContact CZ-CG2 3.84Å; V401-R403 VanDerWaalsContact C-N 3.31Å; V401-Y407 HydrophobicContact CG1-CD2 3.42Å; V401-Y407 VanDerWaalsContact CG1-CD2 3.42Å; V401-Y407 HydrophobicContact CG1-CE2 4.26Å; V401-Y407 HydrophobicContact CG1-CG 3.81Å
402	G	87.1	Confident	85.7	Confident	38 Å²	38	69.8 Å²	69.8	39%	0.392	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	0.5	-175.4	0	0	0	0	0	115.3	K400 S405	K400-G402 PolarHBondContact O-N 3.34Å; G402-S405 CarbonylContact C-O 3.56Å; G402-S405 WeakPolarHBondContact CA-O 3.38Å; G402-S405 PolarHBondContact N-O 2.93Å
403	R	87.6	Confident	87	Confident	171 Å²	171	65.4 Å²	65.4	65%	0.645	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-51.7	164.5	-170.9	-166.8	70.5	-175.1	-8.3	111.2	L398 K400 V401	L398-R403 PolarHBondContact O-NH2 3.14Å; K400-R403 HydrophobicContact CB-CB 4.21Å; K400-R403 PolarHBondContact O-N 3.04Å; V401-R403 VanDerWaalsContact C-N 3.31Å
404	D	86.8	Confident	87.5	Confident	71 Å²	71	60 Å²	60	38%	0.38	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-3	-175.4	-45.1	-49.4	0	0	0	112.5	F378 E399 K400	F378-D404 HydrophobicContact CD1-CB 4.19Å; F378-D404 HydrophobicContact CE1-CB 3.93Å; E399-D404 VanDerWaalsContact CA-OD2 3.29Å; E399-D404 WeakPolarHBondContact CA-OD2 3.29Å; E399-D404 HydrophobicContact CB-CB 4.46Å; K400-D404 PolarHBondContact N-OD2 3.13Å; K400-D404 PolarHBondContact O-N 3.28Å
405	S	87.6	Confident	88.1	Confident	15 Å²	15	53.2 Å²	53.2	11%	0.105	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-137	155.6	165.4	75.8	0	0	0	0	108.8	N377 G402	N377-S405 WeakPolarHBondContact ND2-CB 3.15Å; N377-S405 PolarHBondContact ND2-OG 3.2Å; G402-S405 CarbonylContact C-O 3.56Å; G402-S405 WeakPolarHBondContact CA-O 3.38Å; G402-S405 PolarHBondContact N-O 2.93Å
406	N	85.2	Confident	88.6	Confident	160 Å²	160	52.8 Å²	52.8	86%	0.856	28%	0.278	S	S	*	.			trans	-62.1	154.2	163.1	-68.9	-21.3	0	0	0	109.9
407	Y	88.1	Confident	89.3	Confident	34 Å²	34	48.2 Å²	48.2	13%	0.133	25%	0.249	C	C	.	.			trans	-148.9	123.9	173.7	176.6	-95	0	0	0	110	H85 D353 F356 R357 V401	H85-Y407 AromaticContact CE1-CD2 3.97Å; H85-Y407 AromaticContact CE1-CE2 3.56Å; H85-Y407 AromaticContact NE2-CE2 3.66Å; D353-Y407 WeakPolarHBondContact OD2-CE1 3.49Å; F356-Y407 HydrophobicContact CB-CE2 4.4Å; F356-Y407 AromaticContact CD1-CD2 3.92Å; F356-Y407 HydrophobicContact CD1-CD2 3.92Å; F356-Y407 AromaticContact CD1-CE2 3.26Å; F356-Y407 HydrophobicContact CD1-CE2 3.26Å; F356-Y407 AromaticContact CD1-CZ 3.98Å; F356-Y407 HydrophobicContact CE1-CD2 4.12Å; F356-Y407 AromaticContact CE1-CE2 3.7Å; F356-Y407 HydrophobicContact CE1-CE2 3.7Å; F356-Y407 AromaticContact CG-CE2 3.99Å; F356-Y407 HydrophobicContact CG-CE2 3.99Å; R357-Y407 HydrophobicContact CG-CD1 4.19Å; R357-Y407 HydrophobicContact CG-CE1 4.35Å; V401-Y407 HydrophobicContact CG1-CD2 3.42Å; V401-Y407 VanDerWaalsContact CG1-CD2 3.42Å; V401-Y407 HydrophobicContact CG1-CE2 4.26Å; V401-Y407 HydrophobicContact CG1-CG 3.81Å
408	E	86.3	Confident	90	Very high	126 Å²	126	47 Å²	47	59%	0.589	24%	0.236	S	C	*	.			trans	-128.4	138	170.2	-167.9	178.3	145.7	0	0	107.5	H85 E410	H85-E408 PolarHBondContact CE1-O 3.4Å; E408-E410 PolarHBondContact O-N 2.88Å
409	Q	89	Confident	90.7	Very high	24 Å²	24	40.5 Å²	40.5	11%	0.112	20%	0.202	C	C	.	.			trans	-72.6	127.2	-179	-169.4	178.4	109.3	0	0	109.9	V349 F352 D353 G411 V413	V349-Q409 PolarHBondContact O-NE2 2.95Å; F352-Q409 HydrophobicContact CD1-CG 4.17Å; D353-Q409 PolarHBondContact OD1-NE2 2.98Å; Q409-G411 PolarHBondContact O-N 3.1Å; Q409-V413 HydrophobicContact CG-CB 4.26Å; Q409-V413 HydrophobicContact CG-CG1 4.35Å; Q409-V413 HydrophobicContact CG-CG2 4.25Å
410	E	88.9	Confident	91.1	Very high	11 Å²	11	39.8 Å²	39.8	5%	0.051	20%	0.198	C	C	.	.			trans	-71.7	109.4	176.2	-160.6	-73	149.4	0	0	108.2	E81 H85 R86 E408 K412 V413	E81-E410 HydrophobicContact CB-CB 4Å; E81-E410 HydrophobicContact CB-CG 3.87Å; H85-E410 HydrophobicContact CB-CB 4.13Å; R86-E410 IonicContact CZ-OE1 3.34Å; R86-E410 IonicContact CZ-OE2 2.7Å; R86-E410 IonicContact NE-OE1 2.99Å; R86-E410 IonicContact NE-OE2 3.47Å; R86-E410 PolarHBondContact NE-OE2 3.4Å; R86-E410 IonicContact NH2-OE1 2.73Å; R86-E410 PolarHBondContact NH2-OE1 3.26Å; R86-E410 IonicContact NH2-OE2 3.62Å; R86-E410 PolarHBondContact NH2-OE2 3.11Å; E408-E410 PolarHBondContact O-N 2.88Å; E410-K412 PolarHBondContact O-N 2.89Å; E410-K412 WeakPolarHBondContact OE2-CA 3.39Å; E410-K412 WeakPolarHBondContact OE2-CB 3.25Å; E410-K412 PolarHBondContact OE2-N 3.09Å; E410-V413 WeakPolarHBondContact O-CB 3.34Å; E410-V413 WeakPolarHBondContact O-CG2 3.28Å; E410-V413 PolarHBondContact O-N 2.91Å
411	G	86.8	Confident	91.5	Very high	14 Å²	14	35.7 Å²	35.7	14%	0.144	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	12.1	-167.1	0	0	0	0	0	117	R346 Q409	R346-G411 WeakPolarHBondContact CD-O 3.37Å; R346-G411 VanDerWaalsContact NH1-C 3.26Å; R346-G411 VanDerWaalsContact NH1-CA 3.26Å; R346-G411 PolarHBondContact NH1-O 3.04Å; Q409-G411 PolarHBondContact O-N 3.1Å
412	K	90.9	Very high	91.8	Very high	19 Å²	19	35.4 Å²	35.4	8%	0.083	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	0.6	159.3	-55.9	-159.2	179.1	-168.2	0	112.5	A188 D320 E410 Q414 F415 V416	A188-K412 HydrophobicContact CB-CD 3.63Å; D320-K412 WeakPolarHBondContact OD2-CE 3.26Å; D320-K412 IonicContact OD2-NZ 2.82Å; D320-K412 PolarHBondContact OD2-NZ 2.96Å; E410-K412 PolarHBondContact O-N 2.89Å; E410-K412 WeakPolarHBondContact OE2-CA 3.39Å; E410-K412 WeakPolarHBondContact OE2-CB 3.25Å; E410-K412 PolarHBondContact OE2-N 3.09Å; K412-Q414 VanDerWaalsContact C-N 3.3Å; K412-Q414 PolarHBondContact O-N 3.32Å; K412-F415 HydrophobicContact CB-CD2 4.12Å; K412-F415 HydrophobicContact CG-CD2 4.1Å; K412-F415 PolarHBondContact O-N 2.89Å; K412-F415 VanDerWaalsContact O-N 3.14Å; K412-V416 WeakPolarHBondContact O-CG2 3.24Å; K412-V416 PolarHBondContact O-N 3.47Å
413	V	94.4	Very high	92.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-48.6	-48.6	166.5	158	0	0	0	0	111.7	H85 A89 F352 Q409 E410 F415 V416 M417	H85-V413 HydrophobicContact CB-CG2 4.05Å; A89-V413 HydrophobicContact CB-CB 4.32Å; A89-V413 HydrophobicContact CB-CG1 3.9Å; A89-V413 HydrophobicContact CB-CG2 4.16Å; F352-V413 HydrophobicContact CB-CG1 4.22Å; F352-V413 HydrophobicContact CD1-CG1 3.66Å; F352-V413 HydrophobicContact CD1-CG2 4.18Å; F352-V413 HydrophobicContact CD2-CG1 4.46Å; F352-V413 HydrophobicContact CE1-CG1 4.12Å; F352-V413 HydrophobicContact CE1-CG2 3.82Å; F352-V413 HydrophobicContact CG-CG1 3.84Å; F352-V413 HydrophobicContact CZ-CG2 4.35Å; Q409-V413 HydrophobicContact CG-CB 4.26Å; Q409-V413 HydrophobicContact CG-CG1 4.35Å; Q409-V413 HydrophobicContact CG-CG2 4.25Å; E410-V413 WeakPolarHBondContact O-CB 3.34Å; E410-V413 WeakPolarHBondContact O-CG2 3.28Å; E410-V413 PolarHBondContact O-N 2.91Å; V413-F415 VanDerWaalsContact C-N 3.34Å; V413-F415 PolarHBondContact O-N 3.25Å; V413-V416 WeakPolarHBondContact O-CB 3.43Å; V413-V416 PolarHBondContact O-N 3.03Å; V413-V416 VanDerWaalsContact O-N 3.11Å; V413-M417 HydrophobicContact CG1-SD 4.36Å; V413-M417 PolarHBondContact O-N 3.48Å
414	Q	94.1	Very high	92.8	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.009	13%	0.129	C	C	.	.	H	α-helix	trans	-56.2	-48.4	177.8	-165.7	-150	-52.8	0	0	111.3	V347 V349 K412 V416 M417 D418 A466 T468	V347-Q414 PolarHBondContact O-OE1 3.11Å; V349-Q414 HydrophobicContact CG2-CB 4.21Å; V349-Q414 HydrophobicContact CG2-CG 4.15Å; K412-Q414 VanDerWaalsContact C-N 3.3Å; K412-Q414 PolarHBondContact O-N 3.32Å; Q414-V416 VanDerWaalsContact C-N 3.3Å; Q414-V416 PolarHBondContact O-N 3.42Å; Q414-M417 PolarHBondContact O-N 2.81Å; Q414-D418 PolarHBondContact NE2-OD2 2.82Å; Q414-D418 WeakPolarHBondContact O-CB 3.16Å; Q414-D418 PolarHBondContact O-N 3.23Å; Q414-A466 HydrophobicContact CG-CB 3.87Å; Q414-T468 PolarHBondContact NE2-OG1 3.23Å
415	F	95.2	Very high	93.3	Very high	15 Å²	15	24.8 Å²	24.8	7%	0.066	12%	0.123	C	C	.	.	H	α-helix	trans	-65.3	-29	178.4	-59	-53.5	0	0	0	113.1	Y187 V206 V207 P344 R346 K412 V413 A419	Y187-F415 WeakPolarHBondContact CB-O 3.33Å; Y187-F415 WeakPolarHBondContact O-CB 3.29Å; V206-F415 HydrophobicContact CG2-CB 3.96Å; V206-F415 HydrophobicContact CG2-CD1 4.41Å; V206-F415 VanDerWaalsContact CG2-O 3.25Å; V206-F415 WeakPolarHBondContact CG2-O 3.25Å; V207-F415 HydrophobicContact CG1-CB 4.1Å; V207-F415 HydrophobicContact CG1-CD1 3.92Å; V207-F415 HydrophobicContact CG1-CD2 3.69Å; V207-F415 HydrophobicContact CG1-CE1 4.29Å; V207-F415 HydrophobicContact CG1-CE2 4.09Å; V207-F415 HydrophobicContact CG1-CG 3.63Å; V207-F415 HydrophobicContact CG1-CZ 4.38Å; P344-F415 HydrophobicContact CB-CE2 4.3Å; P344-F415 HydrophobicContact CB-CZ 4.09Å; R346-F415 HydrophobicContact CB-CE2 4.17Å; R346-F415 HydrophobicContact CB-CZ 4.01Å; K412-F415 HydrophobicContact CB-CD2 4.12Å; K412-F415 HydrophobicContact CG-CD2 4.1Å; K412-F415 PolarHBondContact O-N 2.89Å; K412-F415 VanDerWaalsContact O-N 3.14Å; V413-F415 VanDerWaalsContact C-N 3.34Å; V413-F415 PolarHBondContact O-N 3.25Å; F415-A419 VanDerWaalsContact O-CB 3.29Å; F415-A419 WeakPolarHBondContact O-CB 3.29Å; F415-A419 PolarHBondContact O-N 3.26Å; F415-A419 VanDerWaalsContact O-N 3.07Å
416	V	96.9	Very high	93.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-67.7	-49.1	171.1	179.2	0	0	0	0	110.5	F63 R86 A89 M90 Y187 K412 V413 Q414 D418 A419 V420	F63-V416 HydrophobicContact CE1-CG1 3.94Å; F63-V416 HydrophobicContact CE1-CG2 4.08Å; F63-V416 HydrophobicContact CZ-CG1 4.03Å; R86-V416 HydrophobicContact CB-CG2 3.97Å; R86-V416 HydrophobicContact CG-CG2 4.25Å; R86-V416 WeakPolarHBondContact O-CG1 3.37Å; A89-V416 HydrophobicContact CB-CB 4.23Å; A89-V416 HydrophobicContact CB-CG1 4.25Å; M90-V416 HydrophobicContact CB-CG1 3.83Å; Y187-V416 HydrophobicContact CD1-CG2 3.95Å; Y187-V416 HydrophobicContact CD2-CG2 3.63Å; Y187-V416 HydrophobicContact CE1-CG2 4.37Å; Y187-V416 HydrophobicContact CE2-CG2 4.12Å; Y187-V416 HydrophobicContact CG-CB 4.48Å; Y187-V416 HydrophobicContact CG-CG2 3.57Å; K412-V416 WeakPolarHBondContact O-CG2 3.24Å; K412-V416 PolarHBondContact O-N 3.47Å; V413-V416 WeakPolarHBondContact O-CB 3.43Å; V413-V416 PolarHBondContact O-N 3.03Å; V413-V416 VanDerWaalsContact O-N 3.11Å; Q414-V416 VanDerWaalsContact C-N 3.3Å; Q414-V416 PolarHBondContact O-N 3.42Å; V416-D418 PolarHBondContact O-N 3.18Å; V416-A419 PolarHBondContact O-N 3.33Å; V416-V420 WeakPolarHBondContact O-CG2 3.33Å; V416-V420 PolarHBondContact O-N 3.23Å; V416-V420 VanDerWaalsContact O-N 3.16Å
417	M	96.8	Very high	94.2	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-60.6	-46.9	179.1	-64.6	-173.6	63.4	0	0	110.9	A89 F92 A93 L96 V349 F352 V413 Q414 A419 V420 Y421	A89-M417 HydrophobicContact CB-CG 4.09Å; F92-M417 HydrophobicContact CD1-CE 3.73Å; F92-M417 HydrophobicContact CD1-SD 4.09Å; F92-M417 HydrophobicContact CE1-CE 3.91Å; F92-M417 HydrophobicContact CE1-SD 4.5Å; A93-M417 HydrophobicContact CB-CB 4.33Å; A93-M417 HydrophobicContact CB-CG 4.26Å; L96-M417 HydrophobicContact CD1-CE 3.86Å; V349-M417 HydrophobicContact CB-SD 4.47Å; V349-M417 HydrophobicContact CG1-CE 4.41Å; V349-M417 HydrophobicContact CG1-SD 4.03Å; V349-M417 HydrophobicContact CG2-SD 4.4Å; F352-M417 HydrophobicContact CB-SD 4.38Å; V413-M417 HydrophobicContact CG1-SD 4.36Å; V413-M417 PolarHBondContact O-N 3.48Å; Q414-M417 PolarHBondContact O-N 2.81Å; M417-A419 VanDerWaalsContact C-N 3.3Å; M417-A419 PolarHBondContact O-N 3.31Å; M417-V420 PolarHBondContact O-N 3.31Å; M417-V420 VanDerWaalsContact O-N 3.11Å; M417-Y421 HydrophobicContact CE-CE2 4.45Å; M417-Y421 WeakPolarHBondContact O-CD2 3.41Å; M417-Y421 PolarHBondContact O-N 3.18Å
418	D	96.1	Very high	94.6	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.021	8%	0.076	C	C	.	.	H	α-helix	trans	-64.8	-31.8	-179.4	-67.8	-5.3	0	0	0	112.3	Q414 V416 A422 G464 S465 V470	Q414-D418 PolarHBondContact NE2-OD2 2.82Å; Q414-D418 WeakPolarHBondContact O-CB 3.16Å; Q414-D418 PolarHBondContact O-N 3.23Å; V416-D418 PolarHBondContact O-N 3.18Å; D418-A422 VanDerWaalsContact O-CB 3.32Å; D418-A422 WeakPolarHBondContact O-CB 3.37Å; D418-A422 PolarHBondContact O-N 2.81Å; D418-G464 WeakPolarHBondContact OD1-CA 3.45Å; D418-S465 WeakPolarHBondContact OD1-CB 3.42Å; D418-S465 PolarHBondContact OD1-N 3.38Å; D418-S465 PolarHBondContact OD1-OG 3.23Å; D418-V470 HydrophobicContact CB-CG2 3.91Å
419	A	97.4	Very high	95	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-68.2	-38.6	171.8	0	0	0	0	0	112.8	I162 I185 V206 F415 V416 M417 A422 M423	I162-A419 HydrophobicContact CD1-CB 4.36Å; I162-A419 HydrophobicContact CG2-CB 4.15Å; I185-A419 HydrophobicContact CB-CB 4.46Å; I185-A419 HydrophobicContact CG2-CB 3.76Å; V206-A419 HydrophobicContact CG1-CB 4.32Å; V206-A419 HydrophobicContact CG2-CB 4.03Å; F415-A419 VanDerWaalsContact O-CB 3.29Å; F415-A419 WeakPolarHBondContact O-CB 3.29Å; F415-A419 PolarHBondContact O-N 3.26Å; F415-A419 VanDerWaalsContact O-N 3.07Å; V416-A419 PolarHBondContact O-N 3.33Å; M417-A419 VanDerWaalsContact C-N 3.3Å; M417-A419 PolarHBondContact O-N 3.31Å; A419-A422 PolarHBondContact O-N 2.98Å; A419-M423 PolarHBondContact O-N 3.48Å
420	V	97.8	Very high	95.3	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-68.5	-44.1	174.9	179.8	0	0	0	0	110.7	M90 A93 I94 I97 I162 V416 M417 A422 M423 A424	M90-V420 HydrophobicContact CB-CG2 4.29Å; M90-V420 HydrophobicContact CG-CG2 3.84Å; A93-V420 HydrophobicContact CB-CB 3.88Å; A93-V420 HydrophobicContact CB-CG1 3.88Å; A93-V420 HydrophobicContact CB-CG2 4.27Å; I94-V420 HydrophobicContact CG1-CG1 4.06Å; I97-V420 HydrophobicContact CD1-CG1 3.71Å; I162-V420 HydrophobicContact CG1-CG2 4.21Å; I162-V420 HydrophobicContact CG2-CG2 4.34Å; V416-V420 WeakPolarHBondContact O-CG2 3.33Å; V416-V420 PolarHBondContact O-N 3.23Å; V416-V420 VanDerWaalsContact O-N 3.16Å; M417-V420 PolarHBondContact O-N 3.31Å; M417-V420 VanDerWaalsContact O-N 3.11Å; V420-A422 VanDerWaalsContact C-N 3.33Å; V420-A422 PolarHBondContact O-N 3Å; V420-M423 WeakPolarHBondContact O-CB 3.14Å; V420-M423 PolarHBondContact O-N 3.19Å; V420-A424 PolarHBondContact O-N 3.02Å
421	Y	97.3	Very high	95.5	Very high	37 Å²	37	12.9 Å²	12.9	15%	0.145	6%	0.058	C	C	.	.	H	α-helix	trans	-62.8	-36.8	174.6	-85.3	-75.7	0	0	0	112.3	A93 L96 I97 L103 M417 M423 A424 H425 F462	A93-Y421 HydrophobicContact CB-CE2 4.47Å; L96-Y421 WeakPolarHBondContact CB-OH 3.34Å; I97-Y421 HydrophobicContact CD1-CD1 4.06Å; I97-Y421 HydrophobicContact CD1-CE1 4.1Å; I97-Y421 HydrophobicContact CD1-CG 4.33Å; I97-Y421 HydrophobicContact CG1-CD1 3.94Å; I97-Y421 HydrophobicContact CG1-CE1 3.55Å; L103-Y421 HydrophobicContact CD2-CD1 3.95Å; L103-Y421 HydrophobicContact CD2-CE1 4.09Å; M417-Y421 HydrophobicContact CE-CE2 4.45Å; M417-Y421 WeakPolarHBondContact O-CD2 3.41Å; M417-Y421 PolarHBondContact O-N 3.18Å; Y421-M423 VanDerWaalsContact C-N 3.35Å; Y421-M423 PolarHBondContact O-N 3.35Å; Y421-A424 PolarHBondContact O-N 3.36Å; Y421-H425 WeakPolarHBondContact O-CB 3.25Å; Y421-H425 PolarHBondContact O-CD2 3.46Å; Y421-H425 PolarHBondContact O-N 3.04Å; Y421-F462 HydrophobicContact CG-CE2 4.49Å
422	A	97.6	Very high	95.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.7	-43.2	173.9	0	0	0	0	0	112	I185 D418 A419 V420 A426 V460 F462 F472	I185-A422 HydrophobicContact CD1-CB 4.2Å; D418-A422 VanDerWaalsContact O-CB 3.32Å; D418-A422 WeakPolarHBondContact O-CB 3.37Å; D418-A422 PolarHBondContact O-N 2.81Å; A419-A422 PolarHBondContact O-N 2.98Å; V420-A422 VanDerWaalsContact C-N 3.33Å; V420-A422 PolarHBondContact O-N 3Å; A422-A426 WeakPolarHBondContact O-CB 3.5Å; A422-A426 PolarHBondContact O-N 2.91Å; A422-V460 HydrophobicContact CB-CG2 4.2Å; A422-F462 HydrophobicContact CB-CE1 3.91Å; A422-F462 HydrophobicContact CB-CZ 4.05Å; A422-F472 HydrophobicContact CB-CE2 4.27Å; A422-F472 HydrophobicContact CB-CZ 4.14Å
423	M	97.7	Very high	95.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.8	-44.9	173.7	-170.3	65.9	70.9	0	0	111.6	L59 I162 I185 A419 V420 Y421 A426 L427 L453 I457	L59-M423 HydrophobicContact CD1-CB 4.45Å; L59-M423 HydrophobicContact CD1-CG 3.97Å; L59-M423 HydrophobicContact CD2-CG 3.7Å; L59-M423 HydrophobicContact CD2-SD 4.46Å; I162-M423 HydrophobicContact CD1-CB 4.34Å; I162-M423 HydrophobicContact CD1-CE 4.26Å; I185-M423 HydrophobicContact CD1-CB 4.36Å; I185-M423 HydrophobicContact CD1-CE 3.83Å; I185-M423 HydrophobicContact CG1-CE 4.04Å; A419-M423 PolarHBondContact O-N 3.48Å; V420-M423 WeakPolarHBondContact O-CB 3.14Å; V420-M423 PolarHBondContact O-N 3.19Å; Y421-M423 VanDerWaalsContact C-N 3.35Å; Y421-M423 PolarHBondContact O-N 3.35Å; M423-A426 PolarHBondContact O-N 3.35Å; M423-L427 HydrophobicContact CG-CD1 4.09Å; M423-L427 VanDerWaalsContact O-CG 3.32Å; M423-L427 WeakPolarHBondContact O-CG 3.07Å; M423-L427 PolarHBondContact O-N 3.19Å; M423-L453 HydrophobicContact SD-CD2 4.07Å; M423-I457 HydrophobicContact CE-CD1 3.92Å; M423-I457 HydrophobicContact SD-CD1 3.82Å; M423-I457 HydrophobicContact SD-CG1 4.41Å
424	A	97.3	Very high	95.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.9	-43.3	179.4	0	0	0	0	0	112.9	I97 L103 L104 L109 V420 Y421 A426 L427 H428	I97-A424 HydrophobicContact CD1-CB 3.84Å; I97-A424 HydrophobicContact CG1-CB 4.42Å; I97-A424 HydrophobicContact CG2-CB 4.12Å; L103-A424 HydrophobicContact CD2-CB 4.02Å; L103-A424 HydrophobicContact CG-CB 4.4Å; L104-A424 HydrophobicContact CD1-CB 4.06Å; L109-A424 HydrophobicContact CD1-CB 4.05Å; V420-A424 PolarHBondContact O-N 3.02Å; Y421-A424 PolarHBondContact O-N 3.36Å; A424-A426 VanDerWaalsContact C-N 3.33Å; A424-A426 PolarHBondContact O-N 2.79Å; A424-L427 PolarHBondContact O-N 3.22Å; A424-H428 WeakPolarHBondContact O-CB 3.44Å; A424-H428 PolarHBondContact O-N 3.2Å
425	H	97.1	Very high	95.7	Very high	58 Å²	58	24.3 Å²	24.3	27%	0.269	10%	0.103	S	C	.	.	H	α-helix	trans	-65	-34.8	175	-75.6	-58.7	0	0	0	112.6	L103 Y421 R429 V460 F462	L103-H425 WeakPolarHBondContact CD1-ND1 3.44Å; Y421-H425 WeakPolarHBondContact O-CB 3.25Å; Y421-H425 PolarHBondContact O-CD2 3.46Å; Y421-H425 PolarHBondContact O-N 3.04Å; H425-R429 WeakPolarHBondContact O-CB 3.35Å; H425-R429 PolarHBondContact O-N 3.48Å; H425-V460 HydrophobicContact CB-CG1 4.17Å; H425-F462 AromaticContact CD2-CD1 3.58Å; H425-F462 AromaticContact CD2-CD2 3.44Å; H425-F462 VanDerWaalsContact CD2-CD2 3.44Å; H425-F462 WeakPolarHBondContact CD2-CD2 3.2Å; H425-F462 AromaticContact CD2-CE1 3.91Å; H425-F462 AromaticContact CD2-CE2 3.79Å; H425-F462 AromaticContact CD2-CG 3.34Å; H425-F462 WeakPolarHBondContact CD2-CG 3.42Å; H425-F462 AromaticContact NE2-CD2 3.43Å; H425-F462 WeakPolarHBondContact NE2-CD2 3.45Å; H425-F462 AromaticContact NE2-CG 3.59Å
426	A	97.3	Very high	95.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.8	-50.1	173.7	0	0	0	0	0	111.7	A422 M423 A424 H428 R429 M430 L453 H456 I457 V460	A422-A426 WeakPolarHBondContact O-CB 3.5Å; A422-A426 PolarHBondContact O-N 2.91Å; M423-A426 PolarHBondContact O-N 3.35Å; A424-A426 VanDerWaalsContact C-N 3.33Å; A424-A426 PolarHBondContact O-N 2.79Å; A426-H428 VanDerWaalsContact C-N 3.29Å; A426-H428 PolarHBondContact O-N 3.39Å; A426-R429 PolarHBondContact O-N 2.9Å; A426-M430 WeakPolarHBondContact O-CB 3.29Å; A426-M430 PolarHBondContact O-N 2.95Å; A426-L453 HydrophobicContact CB-CD1 3.97Å; A426-H456 HydrophobicContact CB-CB 4.04Å; A426-I457 HydrophobicContact CB-CB 4.27Å; A426-I457 HydrophobicContact CB-CG1 3.53Å; A426-V460 HydrophobicContact CB-CG1 3.96Å
427	L	96.1	Very high	94.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.9	-38.1	175.8	-70.6	167.8	0	0	0	112.2	I57 L104 L109 V159 M423 A424 M430 H431 M445 I448 L453	I57-L427 HydrophobicContact CD1-CD1 4.2Å; I57-L427 HydrophobicContact CD1-CD2 4.28Å; I57-L427 HydrophobicContact CG2-CD1 4.01Å; L104-L427 HydrophobicContact CD1-CB 4.44Å; L104-L427 HydrophobicContact CD2-CB 4.07Å; L109-L427 HydrophobicContact CD2-CD1 4.06Å; V159-L427 HydrophobicContact CG1-CD2 4.09Å; M423-L427 HydrophobicContact CG-CD1 4.09Å; M423-L427 VanDerWaalsContact O-CG 3.32Å; M423-L427 WeakPolarHBondContact O-CG 3.07Å; M423-L427 PolarHBondContact O-N 3.19Å; A424-L427 PolarHBondContact O-N 3.22Å; L427-M430 PolarHBondContact O-N 2.85Å; L427-H431 WeakPolarHBondContact O-CB 3.31Å; L427-H431 PolarHBondContact O-N 2.97Å; L427-M445 HydrophobicContact CD2-CE 4.44Å; L427-I448 HydrophobicContact CD2-CD1 3.75Å; L427-L453 HydrophobicContact CD2-CD1 3.71Å; L427-L453 HydrophobicContact CD2-CD2 4.04Å; L427-L453 HydrophobicContact CG-CD1 4.03Å
428	H	95.3	Very high	94.1	Very high	22 Å²	22	41.3 Å²	41.3	10%	0.102	19%	0.188	C	C	.	.	H	α-helix	trans	-70.5	-37.4	178.9	-173.4	59.7	0	0	0	112.8	E102 L103 L104 P105 A424 A426 R432	E102-H428 PolarHBondContact O-NE2 3.25Å; L103-H428 HydrophobicContact CD1-CB 3.65Å; L104-H428 WeakPolarHBondContact CA-CE1 3.43Å; L104-H428 HydrophobicContact CD2-CB 3.86Å; L104-H428 HydrophobicContact CG-CB 4.11Å; L104-H428 PolarHBondContact N-CE1 3Å; L104-H428 PolarHBondContact N-ND1 2.91Å; L104-H428 VanDerWaalsContact N-ND1 3.15Å; P105-H428 WeakPolarHBondContact CD-NE2 3.38Å; A424-H428 WeakPolarHBondContact O-CB 3.44Å; A424-H428 PolarHBondContact O-N 3.2Å; A426-H428 VanDerWaalsContact C-N 3.29Å; A426-H428 PolarHBondContact O-N 3.39Å; H428-R432 WeakPolarHBondContact O-CG 3.48Å; H428-R432 PolarHBondContact O-N 2.89Å
429	R	95.2	Very high	93.5	Very high	88 Å²	88	45.7 Å²	45.7	33%	0.332	22%	0.216	S	C	.	.	H	α-helix	trans	-65	-48	171	-178.5	176.8	-63.3	166.6	4.1	110.9	H425 A426 H431 R432 E433 A459	H425-R429 WeakPolarHBondContact O-CB 3.35Å; H425-R429 PolarHBondContact O-N 3.48Å; A426-R429 PolarHBondContact O-N 2.9Å; R429-H431 VanDerWaalsContact C-N 3.28Å; R429-H431 PolarHBondContact O-N 2.86Å; R429-R432 PolarHBondContact O-N 2.86Å; R429-R432 VanDerWaalsContact O-N 3.14Å; R429-E433 VanDerWaalsContact CD-OE1 3.3Å; R429-E433 WeakPolarHBondContact CD-OE1 3.38Å; R429-E433 WeakPolarHBondContact CG-OE1 3.06Å; R429-E433 PolarHBondContact O-N 3.24Å; R429-A459 VanDerWaalsContact NH1-CB 3.33Å; R429-A459 PolarHBondContact NH1-O 2.82Å; R429-A459 PolarHBondContact NH2-O 3.36Å
430	M	94.9	Very high	93.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-55.6	-42.2	175.6	-168.1	176.5	-166.8	0	0	111.8	A426 L427 E433 L434 M445 I448 E452 L453	A426-M430 WeakPolarHBondContact O-CB 3.29Å; A426-M430 PolarHBondContact O-N 2.95Å; L427-M430 PolarHBondContact O-N 2.85Å; M430-E433 PolarHBondContact O-N 3.19Å; M430-L434 HydrophobicContact CE-CD1 3.68Å; M430-L434 HydrophobicContact CG-CD1 3.62Å; M430-L434 HydrophobicContact CG-CG 4.16Å; M430-L434 VanDerWaalsContact O-CB 3.28Å; M430-L434 WeakPolarHBondContact O-CB 3.4Å; M430-L434 VanDerWaalsContact O-CG 3.27Å; M430-L434 WeakPolarHBondContact O-CG 3.45Å; M430-L434 PolarHBondContact O-N 3.36Å; M430-L434 HydrophobicContact SD-CD1 4.45Å; M430-M445 HydrophobicContact CB-CE 4.28Å; M430-M445 HydrophobicContact CG-CE 4.18Å; M430-M445 HydrophobicContact SD-CE 4.26Å; M430-I448 HydrophobicContact CE-CG2 3.78Å; M430-I448 HydrophobicContact SD-CG2 3.84Å; M430-E452 HydrophobicContact CE-CB 3.83Å; M430-E452 HydrophobicContact CE-CG 3.81Å; M430-E452 WeakPolarHBondContact CE-OE2 3.37Å; M430-L453 HydrophobicContact SD-CB 4.12Å; M430-L453 HydrophobicContact SD-CD1 4.2Å
431	H	94.3	Very high	92.7	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-46.1	174.6	-178.8	-89.8	0	0	0	112.9	I107 L427 R429 E433 C435 Y436 Y438 G440 M445	I107-H431 VanDerWaalsContact CD1-CD2 3.46Å; I107-H431 WeakPolarHBondContact CD1-CD2 3.45Å; L427-H431 WeakPolarHBondContact O-CB 3.31Å; L427-H431 PolarHBondContact O-N 2.97Å; R429-H431 VanDerWaalsContact C-N 3.28Å; R429-H431 PolarHBondContact O-N 2.86Å; H431-E433 VanDerWaalsContact C-N 3.27Å; H431-E433 PolarHBondContact O-N 3.07Å; H431-C435 WeakPolarHBondContact O-CA 3.24Å; H431-C435 WeakPolarHBondContact O-CB 3.45Å; H431-C435 PolarHBondContact O-N 3.03Å; H431-Y436 PolarHBondContact O-N 2.77Å; H431-Y438 PolarHBondContact CE1-O 3.3Å; H431-Y438 PolarHBondContact NE2-O 3.39Å; H431-Y438 VanDerWaalsContact NE2-O 3.15Å; H431-G440 PolarHBondContact NE2-O 3.22Å; H431-M445 WeakPolarHBondContact CA-SD 3.44Å; H431-M445 HydrophobicContact CB-CE 4.29Å; H431-M445 HydrophobicContact CB-SD 3.65Å
432	R	93	Very high	92.4	Very high	150 Å²	150	47.3 Å²	47.3	57%	0.566	23%	0.23	S	C	*	.	H	α-helix	trans	-59.9	-38	176.8	-71.8	178	-176.6	-146	1.1	112.1	H428 R429 Y436	H428-R432 WeakPolarHBondContact O-CG 3.48Å; H428-R432 PolarHBondContact O-N 2.89Å; R429-R432 PolarHBondContact O-N 2.86Å; R429-R432 VanDerWaalsContact O-N 3.14Å; R432-Y436 PolarHBondContact O-N 3.47Å
433	E	93.3	Very high	92	Very high	101 Å²	101	52.3 Å²	52.3	47%	0.472	26%	0.262	S	S	.	.	H	α-helix	trans	-81.3	-36.2	-178.7	-69	177.1	-142.6	0	0	114	R429 M430 H431 Y436 H456	R429-E433 VanDerWaalsContact CD-OE1 3.3Å; R429-E433 WeakPolarHBondContact CD-OE1 3.38Å; R429-E433 WeakPolarHBondContact CG-OE1 3.06Å; R429-E433 PolarHBondContact O-N 3.24Å; M430-E433 PolarHBondContact O-N 3.19Å; H431-E433 VanDerWaalsContact C-N 3.27Å; H431-E433 PolarHBondContact O-N 3.07Å; E433-Y436 WeakPolarHBondContact O-CE2 3.44Å; E433-H456 IonicContact OE1-CE1 3.77Å; E433-H456 IonicContact OE2-CE1 3.08Å; E433-H456 PolarHBondContact OE2-CE1 3.05Å
434	L	92.4	Very high	91.5	Very high	13 Å²	13	59.4 Å²	59.4	7%	0.068	29%	0.289	C	S	.	.	H	α-helix	trans	-92	-33.1	-178.1	-60.6	-175.6	0	0	0	113.8	M430 R444 M445	M430-L434 HydrophobicContact CE-CD1 3.68Å; M430-L434 HydrophobicContact CG-CD1 3.62Å; M430-L434 HydrophobicContact CG-CG 4.16Å; M430-L434 VanDerWaalsContact O-CB 3.28Å; M430-L434 WeakPolarHBondContact O-CB 3.4Å; M430-L434 VanDerWaalsContact O-CG 3.27Å; M430-L434 WeakPolarHBondContact O-CG 3.45Å; M430-L434 PolarHBondContact O-N 3.36Å; M430-L434 HydrophobicContact SD-CD1 4.45Å; L434-R444 HydrophobicContact CB-CB 4.45Å; L434-M445 HydrophobicContact CD1-CG 4.13Å
435	C	91.8	Very high	91.1	Very high	11 Å²	11	59.6 Å²	59.6	7%	0.074	29%	0.29	C	S	.	.	H	α-helix	trans	-112	-6.6	-170.4	-57.7	0	0	0	0	114.1	H431 G437 Y438 C442 M445	H431-C435 WeakPolarHBondContact O-CA 3.24Å; H431-C435 WeakPolarHBondContact O-CB 3.45Å; H431-C435 PolarHBondContact O-N 3.03Å; C435-G437 PolarHBondContact O-N 3.08Å; C435-Y438 VanDerWaalsContact O-CB 3.27Å; C435-Y438 WeakPolarHBondContact O-CB 3.46Å; C435-Y438 PolarHBondContact O-N 2.94Å; C435-C442 VanDerWaalsContact CA-SG 3.51Å; C435-C442 HydrophobicContact CB-CB 3.6Å; C435-C442 WeakPolarHBondContact CB-SG 3.38Å; C435-C442 WeakPolarHBondContact SG-CB 3.37Å; C435-C442 CovalentContact SG-SG 2.03Å; C435-C442 PolarHBondContact SG-SG 3.1Å; C435-M445 VanDerWaalsContact SG-SD 3.66Å
436	Y	88.9	Confident	90.5	Very high	195 Å²	195	59.7 Å²	59.7	77%	0.765	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	32.3	172.7	-61	-88	0	0	0	115.4	H431 R432 E433	H431-Y436 PolarHBondContact O-N 2.77Å; R432-Y436 PolarHBondContact O-N 3.47Å; E433-Y436 WeakPolarHBondContact O-CE2 3.44Å
437	G	77.2	Confident	89.8	Confident	59 Å²	59	65.3 Å²	65.3	61%	0.608	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	13.5	-178.7	0	0	0	0	0	115.6	C435	C435-G437 PolarHBondContact O-N 3.08Å
438	Y	87.6	Confident	89.5	Confident	121 Å²	121	66.3 Å²	66.3	48%	0.475	34%	0.336	S	S	.	.			trans	-50.8	134.9	169.4	-172.8	-88.5	0	0	0	111.6	H431 C435 G440 C442	H431-Y438 PolarHBondContact CE1-O 3.3Å; H431-Y438 PolarHBondContact NE2-O 3.39Å; H431-Y438 VanDerWaalsContact NE2-O 3.15Å; C435-Y438 VanDerWaalsContact O-CB 3.27Å; C435-Y438 WeakPolarHBondContact O-CB 3.46Å; C435-Y438 PolarHBondContact O-N 2.94Å; Y438-G440 PolarHBondContact O-N 3.45Å; Y438-C442 HydrophobicContact CD1-CB 3.59Å; Y438-C442 HydrophobicContact CD2-CB 4.35Å; Y438-C442 HydrophobicContact CE1-CB 4.14Å; Y438-C442 HydrophobicContact CG-CB 3.72Å
439	P	84.9	Confident	89.3	Confident	95 Å²	95	68.1 Å²	68.1	62%	0.617	35%	0.346	S	S	*	.	S	Bend	trans	-70.5	119.2	-179.9	28.7	-33.9	0	0	0	110.9
440	G	87.4	Confident	89.2	Confident	9 Å²	9	64.4 Å²	64.4	9%	0.093	34%	0.335	C	S	.	.	S	Bend	trans	75.2	-163	-176.3	0	0	0	0	0	113.5	N106 H431 Y438 C442	N106-G440 VanDerWaalsContact O-CA 3.29Å; N106-G440 WeakPolarHBondContact O-CA 3.29Å; H431-G440 PolarHBondContact NE2-O 3.22Å; Y438-G440 PolarHBondContact O-N 3.45Å; G440-C442 PolarHBondContact O-N 3.42Å
441	L	89.5	Confident	89.1	Confident	55 Å²	55	71 Å²	71	29%	0.288	36%	0.364	S	S	.	.			trans	-74.7	114.7	-174.8	-154.8	94.4	0	0	0	111.1	I57 I107 M445	I57-L441 HydrophobicContact CD1-CD1 3.71Å; I57-L441 HydrophobicContact CG1-CD1 3.72Å; I107-L441 HydrophobicContact CD1-CD1 4.48Å; I107-L441 HydrophobicContact CG2-CD1 4.35Å; L441-M445 HydrophobicContact CD1-CB 4.21Å; L441-M445 HydrophobicContact CG-CB 4.05Å
442	C	90.9	Very high	89.2	Confident	8 Å²	8	74.5 Å²	74.5	5%	0.054	38%	0.38	C	S	.	.			trans	-80.6	159.5	177.9	85.8	0	0	0	0	112.3	C435 Y438 G440 R444 M445 A446	C435-C442 VanDerWaalsContact CA-SG 3.51Å; C435-C442 HydrophobicContact CB-CB 3.6Å; C435-C442 WeakPolarHBondContact CB-SG 3.38Å; C435-C442 WeakPolarHBondContact SG-CB 3.37Å; C435-C442 CovalentContact SG-SG 2.03Å; C435-C442 PolarHBondContact SG-SG 3.1Å; Y438-C442 HydrophobicContact CD1-CB 3.59Å; Y438-C442 HydrophobicContact CD2-CB 4.35Å; Y438-C442 HydrophobicContact CE1-CB 4.14Å; Y438-C442 HydrophobicContact CG-CB 3.72Å; G440-C442 PolarHBondContact O-N 3.42Å; C442-R444 PolarHBondContact O-N 3.22Å; C442-M445 PolarHBondContact O-N 3.4Å; C442-A446 PolarHBondContact O-N 3.34Å
443	P	89.1	Confident	89.3	Confident	104 Å²	104	67.3 Å²	67.3	68%	0.675	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-55.9	-29.4	-176.4	-29.1	36.5	0	0	0	115.6	M445 A446	P443-M445 VanDerWaalsContact C-N 3.25Å; P443-M445 PolarHBondContact O-N 3.19Å; P443-A446 WeakPolarHBondContact O-CB 3.29Å; P443-A446 PolarHBondContact O-N 3.47Å
444	R	88.2	Confident	89.4	Confident	150 Å²	150	63.5 Å²	63.5	57%	0.566	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-65.7	-26.5	174.3	-68.3	-173.4	69.5	-174.1	3.3	113.2	L434 C442	L434-R444 HydrophobicContact CB-CB 4.45Å; C442-R444 PolarHBondContact O-N 3.22Å
445	M	89.8	Confident	89.6	Confident	3 Å²	3	66.7 Å²	66.7	2%	0.015	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-97	-3.6	176.4	-69.3	-174.1	77.9	0	0	113.6	L427 M430 H431 L434 C435 L441 C442 P443 N447 I448	L427-M445 HydrophobicContact CD2-CE 4.44Å; M430-M445 HydrophobicContact CB-CE 4.28Å; M430-M445 HydrophobicContact CG-CE 4.18Å; M430-M445 HydrophobicContact SD-CE 4.26Å; H431-M445 WeakPolarHBondContact CA-SD 3.44Å; H431-M445 HydrophobicContact CB-CE 4.29Å; H431-M445 HydrophobicContact CB-SD 3.65Å; L434-M445 HydrophobicContact CD1-CG 4.13Å; C435-M445 VanDerWaalsContact SG-SD 3.66Å; L441-M445 HydrophobicContact CD1-CB 4.21Å; L441-M445 HydrophobicContact CG-CB 4.05Å; C442-M445 PolarHBondContact O-N 3.4Å; P443-M445 VanDerWaalsContact C-N 3.25Å; P443-M445 PolarHBondContact O-N 3.19Å; M445-N447 PolarHBondContact O-N 2.75Å; M445-N447 VanDerWaalsContact O-N 3.15Å; M445-I448 HydrophobicContact CB-CG1 4.27Å; M445-I448 HydrophobicContact CE-CD1 3.89Å; M445-I448 HydrophobicContact CE-CG1 4.47Å; M445-I448 WeakPolarHBondContact O-CG1 3.43Å; M445-I448 PolarHBondContact O-N 2.7Å
446	A	83.3	Confident	89.8	Confident	60 Å²	60	66.9 Å²	66.9	50%	0.496	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.5	173.3	0	0	0	0	0	112.5	C442 P443	C442-A446 PolarHBondContact O-N 3.34Å; P443-A446 WeakPolarHBondContact O-CB 3.29Å; P443-A446 PolarHBondContact O-N 3.47Å
447	N	83.7	Confident	90.2	Very high	118 Å²	118	57.7 Å²	57.7	63%	0.631	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.4	71.6	171.8	-78.2	-43	0	0	0	110.8	K157 M445 D449	K157-N447 PolarHBondContact NZ-OD1 3.01Å; M445-N447 PolarHBondContact O-N 2.75Å; M445-N447 VanDerWaalsContact O-N 3.15Å; N447-D449 PolarHBondContact O-N 2.92Å
448	I	89.4	Confident	91.1	Very high	21 Å²	21	57.4 Å²	57.4	11%	0.108	30%	0.304	C	S	.	.			trans	-50.7	123.9	173.7	-55.6	-172.2	0	0	0	110.9	I57 V159 L427 M430 M445 L453	I57-I448 HydrophobicContact CD1-CD1 4.39Å; V159-I448 HydrophobicContact CG1-CB 4.39Å; V159-I448 HydrophobicContact CG1-CD1 3.82Å; V159-I448 HydrophobicContact CG1-CG2 4.14Å; V159-I448 HydrophobicContact CG2-CD1 4.22Å; L427-I448 HydrophobicContact CD2-CD1 3.75Å; M430-I448 HydrophobicContact CE-CG2 3.78Å; M430-I448 HydrophobicContact SD-CG2 3.84Å; M445-I448 HydrophobicContact CB-CG1 4.27Å; M445-I448 HydrophobicContact CE-CD1 3.89Å; M445-I448 HydrophobicContact CE-CG1 4.47Å; M445-I448 WeakPolarHBondContact O-CG1 3.43Å; M445-I448 PolarHBondContact O-N 2.7Å; I448-L453 HydrophobicContact CG2-CB 4.06Å; I448-L453 HydrophobicContact CG2-CD2 4.15Å
449	D	90.6	Very high	91.5	Very high	61 Å²	61	54.1 Å²	54.1	33%	0.326	30%	0.302	S	S	.	.			trans	-79.8	118.6	164.6	-175.2	0.7	0	0	0	108.8	K181 N447 K451 E452 L453	K181-D449 IonicContact NZ-OD1 2.67Å; K181-D449 IonicContact NZ-OD2 2.63Å; N447-D449 PolarHBondContact O-N 2.92Å; D449-K451 PolarHBondContact O-N 3.14Å; D449-K451 VanDerWaalsContact O-N 3.16Å; D449-K451 PolarHBondContact OD1-N 2.93Å; D449-E452 HydrophobicContact CB-CB 4.35Å; D449-E452 PolarHBondContact O-N 3.32Å; D449-E452 VanDerWaalsContact O-N 3.08Å; D449-L453 PolarHBondContact O-N 3.39Å
450	G	92.7	Very high	92	Very high	10 Å²	10	49.8 Å²	49.8	10%	0.103	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-20.7	177.9	0	0	0	0	0	113.8	K181 L454	K181-G450 CarbonylContact O-C 3.56Å; K181-G450 VanDerWaalsContact O-CA 3.29Å; K181-G450 WeakPolarHBondContact O-CA 3.42Å; G450-L454 VanDerWaalsContact O-CB 3.24Å; G450-L454 WeakPolarHBondContact O-CB 3.27Å; G450-L454 PolarHBondContact O-N 3.48Å
451	K	94.1	Very high	92.3	Very high	140 Å²	140	57 Å²	57	61%	0.609	30%	0.302	S	S	*	.	H	α-helix	trans	-72.2	-38.7	172.7	-170.3	-179.2	178.2	-177.2	0	112.5	F202 D449 S455	F202-K451 HydrophobicContact CE1-CB 4.24Å; F202-K451 HydrophobicContact CZ-CB 4.13Å; F202-K451 HydrophobicContact CZ-CG 4.46Å; D449-K451 PolarHBondContact O-N 3.14Å; D449-K451 VanDerWaalsContact O-N 3.16Å; D449-K451 PolarHBondContact OD1-N 2.93Å; K451-S455 PolarHBondContact O-N 2.73Å
452	E	94.9	Very high	92.6	Very high	80 Å²	80	55.6 Å²	55.6	37%	0.374	29%	0.294	S	S	.	.	H	α-helix	trans	-69.6	-44.7	174.9	-167.5	174.3	-140.5	0	0	109.5	M430 D449 L454 S455 H456	M430-E452 HydrophobicContact CE-CB 3.83Å; M430-E452 HydrophobicContact CE-CG 3.81Å; M430-E452 WeakPolarHBondContact CE-OE2 3.37Å; D449-E452 HydrophobicContact CB-CB 4.35Å; D449-E452 PolarHBondContact O-N 3.32Å; D449-E452 VanDerWaalsContact O-N 3.08Å; E452-L454 PolarHBondContact O-N 3.18Å; E452-S455 VanDerWaalsContact O-CB 3.26Å; E452-S455 WeakPolarHBondContact O-CB 3.47Å; E452-S455 PolarHBondContact O-N 3.12Å; E452-S455 VanDerWaalsContact O-N 3.11Å; E452-H456 PolarHBondContact O-CD2 3.2Å; E452-H456 PolarHBondContact O-N 3.29Å
453	L	96.1	Very high	92.6	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-58	-42.9	173.4	179.7	57.6	0	0	0	113	V159 P183 M423 A426 L427 M430 I448 D449 S455 H456 I457	V159-L453 HydrophobicContact CG1-CD2 3.52Å; P183-L453 HydrophobicContact CG-CD2 3.89Å; P183-L453 HydrophobicContact CG-CG 4.16Å; M423-L453 HydrophobicContact SD-CD2 4.07Å; A426-L453 HydrophobicContact CB-CD1 3.97Å; L427-L453 HydrophobicContact CD2-CD1 3.71Å; L427-L453 HydrophobicContact CD2-CD2 4.04Å; L427-L453 HydrophobicContact CG-CD1 4.03Å; M430-L453 HydrophobicContact SD-CB 4.12Å; M430-L453 HydrophobicContact SD-CD1 4.2Å; I448-L453 HydrophobicContact CG2-CB 4.06Å; I448-L453 HydrophobicContact CG2-CD2 4.15Å; D449-L453 PolarHBondContact O-N 3.39Å; L453-S455 VanDerWaalsContact C-N 3.25Å; L453-S455 PolarHBondContact O-N 3.06Å; L453-H456 PolarHBondContact O-N 3.41Å; L453-H456 VanDerWaalsContact O-N 3.11Å; L453-I457 HydrophobicContact CD1-CD1 4.38Å; L453-I457 HydrophobicContact CD1-CG1 4.29Å; L453-I457 HydrophobicContact CG-CD1 3.93Å; L453-I457 HydrophobicContact CG-CG1 4.33Å; L453-I457 WeakPolarHBondContact O-CG1 3.49Å; L453-I457 PolarHBondContact O-N 2.94Å
454	L	95.9	Very high	92.4	Very high	20 Å²	20	56.4 Å²	56.4	11%	0.105	29%	0.294	C	S	.	.	H	α-helix	trans	-57	-38.2	175.6	178.4	70	0	0	0	112.3	P183 D201 F202 G450 E452 I457 R458	P183-L454 HydrophobicContact CB-CB 4.45Å; P183-L454 HydrophobicContact CB-CD1 4.29Å; D201-L454 VanDerWaalsContact O-CD2 3.29Å; D201-L454 WeakPolarHBondContact O-CD2 3.5Å; F202-L454 HydrophobicContact CD1-CD2 4.03Å; F202-L454 HydrophobicContact CE1-CD2 4.19Å; F202-L454 HydrophobicContact CG-CD2 4.44Å; G450-L454 VanDerWaalsContact O-CB 3.24Å; G450-L454 WeakPolarHBondContact O-CB 3.27Å; G450-L454 PolarHBondContact O-N 3.48Å; E452-L454 PolarHBondContact O-N 3.18Å; L454-I457 PolarHBondContact O-N 2.76Å; L454-R458 HydrophobicContact CD1-CG 4.47Å; L454-R458 PolarHBondContact O-N 2.87Å
455	S	95.5	Very high	91.9	Very high	81 Å²	81	51 Å²	51	57%	0.566	28%	0.279	S	S	*	.	H	α-helix	trans	-62.2	-47.3	174.7	-167.3	0	0	0	0	111.1	K451 E452 L453 I457 R458 A459	K451-S455 PolarHBondContact O-N 2.73Å; E452-S455 VanDerWaalsContact O-CB 3.26Å; E452-S455 WeakPolarHBondContact O-CB 3.47Å; E452-S455 PolarHBondContact O-N 3.12Å; E452-S455 VanDerWaalsContact O-N 3.11Å; L453-S455 VanDerWaalsContact C-N 3.25Å; L453-S455 PolarHBondContact O-N 3.06Å; S455-I457 PolarHBondContact O-N 3.34Å; S455-R458 PolarHBondContact O-N 3.01Å; S455-A459 WeakPolarHBondContact O-CB 3.45Å; S455-A459 PolarHBondContact O-N 3.05Å; S455-A459 VanDerWaalsContact O-N 3.15Å
456	H	96.7	Very high	91.4	Very high	15 Å²	15	52.1 Å²	52.1	7%	0.069	29%	0.289	C	S	.	.	H	α-helix	trans	-64.5	-37.1	175.5	-60	-68	0	0	0	112.5	A426 E433 E452 L453 A459 V460	A426-H456 HydrophobicContact CB-CB 4.04Å; E433-H456 IonicContact OE1-CE1 3.77Å; E433-H456 IonicContact OE2-CE1 3.08Å; E433-H456 PolarHBondContact OE2-CE1 3.05Å; E452-H456 PolarHBondContact O-CD2 3.2Å; E452-H456 PolarHBondContact O-N 3.29Å; L453-H456 PolarHBondContact O-N 3.41Å; L453-H456 VanDerWaalsContact O-N 3.11Å; H456-A459 PolarHBondContact O-N 2.99Å; H456-V460 VanDerWaalsContact O-CG1 3.25Å; H456-V460 WeakPolarHBondContact O-CG1 3.35Å; H456-V460 PolarHBondContact O-N 3.4Å
457	I	96.8	Very high	91.4	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-59.6	-55.5	174.8	-70.9	167	0	0	0	110.4	P183 I185 M423 A426 L453 L454 S455 A459 V460 F472	P183-I457 HydrophobicContact CB-CD1 3.72Å; P183-I457 HydrophobicContact CG-CD1 3.86Å; I185-I457 HydrophobicContact CD1-CD1 4.24Å; I185-I457 HydrophobicContact CD1-CG1 4.37Å; I185-I457 HydrophobicContact CD1-CG2 3.76Å; I185-I457 HydrophobicContact CG1-CG2 4.22Å; M423-I457 HydrophobicContact CE-CD1 3.92Å; M423-I457 HydrophobicContact SD-CD1 3.82Å; M423-I457 HydrophobicContact SD-CG1 4.41Å; A426-I457 HydrophobicContact CB-CB 4.27Å; A426-I457 HydrophobicContact CB-CG1 3.53Å; L453-I457 HydrophobicContact CD1-CD1 4.38Å; L453-I457 HydrophobicContact CD1-CG1 4.29Å; L453-I457 HydrophobicContact CG-CD1 3.93Å; L453-I457 HydrophobicContact CG-CG1 4.33Å; L453-I457 WeakPolarHBondContact O-CG1 3.49Å; L453-I457 PolarHBondContact O-N 2.94Å; L454-I457 PolarHBondContact O-N 2.76Å; S455-I457 PolarHBondContact O-N 3.34Å; I457-A459 PolarHBondContact O-N 3.26Å; I457-A459 VanDerWaalsContact O-N 3.16Å; I457-V460 WeakPolarHBondContact O-CG2 3.44Å; I457-V460 PolarHBondContact O-N 3.08Å; I457-V460 VanDerWaalsContact O-N 3.11Å; I457-F472 HydrophobicContact CG2-CD2 4.46Å; I457-F472 HydrophobicContact CG2-CE2 3.88Å; I457-F472 HydrophobicContact CG2-CZ 4.35Å; I457-F472 VanDerWaalsContact O-CD2 3.22Å; I457-F472 WeakPolarHBondContact O-CD2 3.24Å; I457-F472 WeakPolarHBondContact O-CE2 3.22Å
458	R	95.4	Very high	91.4	Very high	54 Å²	54	47.9 Å²	47.9	20%	0.204	27%	0.272	C	S	.	.	H	α-helix	trans	-65	-21.4	-178	-68.9	-172.4	174.6	-172.5	2.7	112.9	N197 D201 F203 S204 L454 S455 E474 N475	N197-R458 VanDerWaalsContact OD1-CZ 3.31Å; N197-R458 PolarHBondContact OD1-NH1 3.29Å; N197-R458 PolarHBondContact OD1-NH2 3Å; D201-R458 PolarHBondContact O-NH2 3.15Å; F203-R458 PolarHBondContact O-NH2 2.85Å; S204-R458 PolarHBondContact OG-NE 3.18Å; L454-R458 HydrophobicContact CD1-CG 4.47Å; L454-R458 PolarHBondContact O-N 2.87Å; S455-R458 PolarHBondContact O-N 3.01Å; R458-E474 PolarHBondContact NH1-O 3.07Å; R458-N475 PolarHBondContact NH2-O 2.97Å
459	A	96.1	Very high	91.5	Very high	52 Å²	52	49.6 Å²	49.6	43%	0.43	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	2.4	176	0	0	0	0	0	115.5	R429 S455 H456 I457	R429-A459 VanDerWaalsContact NH1-CB 3.33Å; R429-A459 PolarHBondContact NH1-O 2.82Å; R429-A459 PolarHBondContact NH2-O 3.36Å; S455-A459 WeakPolarHBondContact O-CB 3.45Å; S455-A459 PolarHBondContact O-N 3.05Å; S455-A459 VanDerWaalsContact O-N 3.15Å; H456-A459 PolarHBondContact O-N 2.99Å; I457-A459 PolarHBondContact O-N 3.26Å; I457-A459 VanDerWaalsContact O-N 3.16Å
460	V	95.2	Very high	91.6	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.024	27%	0.272	C	S	.	.			trans	-70.7	145.4	178.1	-54.2	0	0	0	0	112.2	A422 H425 A426 H456 I457 F462 F472	A422-V460 HydrophobicContact CB-CG2 4.2Å; H425-V460 HydrophobicContact CB-CG1 4.17Å; A426-V460 HydrophobicContact CB-CG1 3.96Å; H456-V460 VanDerWaalsContact O-CG1 3.25Å; H456-V460 WeakPolarHBondContact O-CG1 3.35Å; H456-V460 PolarHBondContact O-N 3.4Å; I457-V460 WeakPolarHBondContact O-CG2 3.44Å; I457-V460 PolarHBondContact O-N 3.08Å; I457-V460 VanDerWaalsContact O-N 3.11Å; V460-F462 HydrophobicContact CB-CD1 4.26Å; V460-F462 HydrophobicContact CB-CE1 4.43Å; V460-F462 HydrophobicContact CG2-CD1 4.11Å; V460-F462 HydrophobicContact CG2-CE1 3.88Å; V460-F472 HydrophobicContact CG2-CD2 4.01Å; V460-F472 HydrophobicContact CG2-CE2 3.64Å
461	K	95.3	Very high	91.7	Very high	161 Å²	161	50.1 Å²	50.1	70%	0.7	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.6	112.5	171	-175.8	178.2	179.3	-178.9	0	108.7	V470	K461-V470 WeakPolarHBondContact CA-O 3.45Å
462	F	94.3	Very high	91.8	Very high	24 Å²	24	44.2 Å²	44.2	11%	0.105	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	167.7	-176.6	66.3	-78.3	0	0	0	110.2	Y421 A422 H425 V460 P469 V470	Y421-F462 HydrophobicContact CG-CE2 4.49Å; A422-F462 HydrophobicContact CB-CE1 3.91Å; A422-F462 HydrophobicContact CB-CZ 4.05Å; H425-F462 AromaticContact CD2-CD1 3.58Å; H425-F462 AromaticContact CD2-CD2 3.44Å; H425-F462 VanDerWaalsContact CD2-CD2 3.44Å; H425-F462 WeakPolarHBondContact CD2-CD2 3.2Å; H425-F462 AromaticContact CD2-CE1 3.91Å; H425-F462 AromaticContact CD2-CE2 3.79Å; H425-F462 AromaticContact CD2-CG 3.34Å; H425-F462 WeakPolarHBondContact CD2-CG 3.42Å; H425-F462 AromaticContact NE2-CD2 3.43Å; H425-F462 WeakPolarHBondContact NE2-CD2 3.45Å; H425-F462 AromaticContact NE2-CG 3.59Å; V460-F462 HydrophobicContact CB-CD1 4.26Å; V460-F462 HydrophobicContact CB-CE1 4.43Å; V460-F462 HydrophobicContact CG2-CD1 4.11Å; V460-F462 HydrophobicContact CG2-CE1 3.88Å; F462-P469 CarbonylContact O-C 3.59Å; F462-P469 WeakPolarHBondContact O-CA 3.44Å; F462-V470 HydrophobicContact CD1-CB 4.1Å; F462-V470 HydrophobicContact CD1-CG1 4.48Å; F462-V470 HydrophobicContact CE1-CB 3.61Å; F462-V470 HydrophobicContact CE1-CG1 3.6Å; F462-V470 HydrophobicContact CE1-CG2 4.36Å; F462-V470 HydrophobicContact CE2-CB 4.1Å; F462-V470 HydrophobicContact CE2-CG2 3.99Å; F462-V470 HydrophobicContact CZ-CB 3.6Å; F462-V470 HydrophobicContact CZ-CG1 3.67Å; F462-V470 HydrophobicContact CZ-CG2 3.84Å; F462-V470 PolarHBondContact N-O 3.46Å; F462-V470 PolarHBondContact O-N 2.92Å
463	N	92.2	Very high	91.7	Very high	120 Å²	120	43.1 Å²	43.1	64%	0.642	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	122.5	169.9	-70.8	-13.4	0	0	0	108.6
464	G	85.1	Confident	91.4	Very high	10 Å²	10	51.4 Å²	51.4	10%	0.103	29%	0.294	C	S	.	.			trans	-71.4	-178.4	-178.2	0	0	0	0	0	114.1	D418 A466 G467 T468	D418-G464 WeakPolarHBondContact OD1-CA 3.45Å; G464-A466 PolarHBondContact O-N 3.3Å; G464-G467 PolarHBondContact O-N 3.48Å; G464-T468 PolarHBondContact N-O 3.19Å
465	S	77.3	Confident	91.3	Very high	36 Å²	36	53.4 Å²	53.4	25%	0.252	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-23.3	-174.4	55.6	0	0	0	0	115.5	D418	D418-S465 WeakPolarHBondContact OD1-CB 3.42Å; D418-S465 PolarHBondContact OD1-N 3.38Å; D418-S465 PolarHBondContact OD1-OG 3.23Å
466	A	80	Confident	91.2	Very high	26 Å²	26	49.6 Å²	49.6	22%	0.215	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	25.6	173.9	0	0	0	0	0	113.9	V347 V349 Q414 G464 T468	V347-A466 HydrophobicContact CB-CB 3.81Å; V347-A466 HydrophobicContact CG1-CB 4.14Å; V349-A466 HydrophobicContact CG2-CB 4.25Å; Q414-A466 HydrophobicContact CG-CB 3.87Å; G464-A466 PolarHBondContact O-N 3.3Å; A466-T468 VanDerWaalsContact C-N 3.25Å; A466-T468 PolarHBondContact O-N 3.14Å
467	G	82.2	Confident	91.1	Very high	53 Å²	53	49 Å²	49	55%	0.546	28%	0.275	S	S	.	.	S	Bend	trans	77.4	-3.2	175.4	0	0	0	0	0	115.8	G464	G464-G467 PolarHBondContact O-N 3.48Å
468	T	84.6	Confident	91	Very high	36 Å²	36	49.5 Å²	49.5	22%	0.221	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-77	136.6	175.6	52.6	0	0	0	0	111.5	Q414 G464 A466 V470	Q414-T468 PolarHBondContact NE2-OG1 3.23Å; G464-T468 PolarHBondContact N-O 3.19Å; A466-T468 VanDerWaalsContact C-N 3.25Å; A466-T468 PolarHBondContact O-N 3.14Å; T468-V470 PolarHBondContact O-N 3.1Å
469	P	90.5	Very high	90.8	Very high	57 Å²	57	49.5 Å²	49.5	37%	0.37	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	123.1	-179.7	28.1	-34	0	0	0	111.6	F462	F462-P469 CarbonylContact O-C 3.59Å; F462-P469 WeakPolarHBondContact O-CA 3.44Å
470	V	93.6	Very high	90.5	Very high	12 Å²	12	47.1 Å²	47.1	7%	0.073	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.8	176.9	-176.3	0	0	0	0	108.9	V206 D418 K461 F462 T468	V206-V470 HydrophobicContact CG1-CG1 4.12Å; D418-V470 HydrophobicContact CB-CG2 3.91Å; K461-V470 WeakPolarHBondContact CA-O 3.45Å; F462-V470 HydrophobicContact CD1-CB 4.1Å; F462-V470 HydrophobicContact CD1-CG1 4.48Å; F462-V470 HydrophobicContact CE1-CB 3.61Å; F462-V470 HydrophobicContact CE1-CG1 3.6Å; F462-V470 HydrophobicContact CE1-CG2 4.36Å; F462-V470 HydrophobicContact CE2-CB 4.1Å; F462-V470 HydrophobicContact CE2-CG2 3.99Å; F462-V470 HydrophobicContact CZ-CB 3.6Å; F462-V470 HydrophobicContact CZ-CG1 3.67Å; F462-V470 HydrophobicContact CZ-CG2 3.84Å; F462-V470 PolarHBondContact N-O 3.46Å; F462-V470 PolarHBondContact O-N 2.92Å; T468-V470 PolarHBondContact O-N 3.1Å
471	M	94.7	Very high	90.4	Very high	71 Å²	71	51 Å²	51	35%	0.35	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	154.7	179.1	57.6	-178.6	-70.3	0	0	109.9	P479	M471-P479 HydrophobicContact CG-CG 4.5Å
472	F	95.4	Very high	90.4	Very high	16 Å²	16	43.4 Å²	43.4	7%	0.07	25%	0.248	C	C	.	.			trans	-110.6	159.9	176.6	-54.4	-74.7	0	0	0	111.8	I185 R205 V206 A422 I457 V460 G476 D477	I185-F472 HydrophobicContact CG2-CZ 4.37Å; R205-F472 WeakPolarHBondContact O-CE1 3.43Å; V206-F472 HydrophobicContact CG1-CE1 3.85Å; V206-F472 HydrophobicContact CG1-CZ 3.88Å; A422-F472 HydrophobicContact CB-CE2 4.27Å; A422-F472 HydrophobicContact CB-CZ 4.14Å; I457-F472 HydrophobicContact CG2-CD2 4.46Å; I457-F472 HydrophobicContact CG2-CE2 3.88Å; I457-F472 HydrophobicContact CG2-CZ 4.35Å; I457-F472 VanDerWaalsContact O-CD2 3.22Å; I457-F472 WeakPolarHBondContact O-CD2 3.24Å; I457-F472 WeakPolarHBondContact O-CE2 3.22Å; V460-F472 HydrophobicContact CG2-CD2 4.01Å; V460-F472 HydrophobicContact CG2-CE2 3.64Å; F472-G476 VanDerWaalsContact CD1-O 3.27Å; F472-G476 WeakPolarHBondContact CD1-O 3.44Å; F472-D477 CarbonylContact C-O 3.54Å; F472-D477 WeakPolarHBondContact CA-O 3.26Å
473	N	92.8	Very high	90.4	Very high	57 Å²	57	43.2 Å²	43.2	31%	0.305	25%	0.248	S	C	.	.			trans	-92.3	-175.4	164.6	73.9	3.4	0	0	0	111.3	N475 G476 D477	N473-N475 PolarHBondContact O-N 2.86Å; N473-N475 WeakPolarHBondContact OD1-CA 3.39Å; N473-N475 WeakPolarHBondContact OD1-CB 3.46Å; N473-N475 PolarHBondContact OD1-N 3.45Å; N473-G476 PolarHBondContact O-N 3.21Å; N473-G476 PolarHBondContact OD1-N 3.15Å; N473-G476 VanDerWaalsContact OD1-N 3.12Å; N473-D477 PolarHBondContact N-O 2.81Å; N473-D477 WeakPolarHBondContact OD1-CB 3.48Å; N473-D477 PolarHBondContact OD1-N 2.81Å; N473-D477 PolarHBondContact OD1-O 2.83Å
474	E	90.8	Very high	90.7	Very high	174 Å²	174	37.5 Å²	37.5	81%	0.813	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.4	179.4	-60.7	177.5	174.6	0	0	113.9	N197 R458	N197-E474 PolarHBondContact ND2-O 3.26Å; R458-E474 PolarHBondContact NH1-O 3.07Å
475	N	92.4	Very high	91.2	Very high	62 Å²	62	38.6 Å²	38.6	33%	0.332	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-2.8	176	-62.8	-16.9	0	0	0	113.4	N197 R458 N473 D477	N197-N475 PolarHBondContact ND2-OD1 3.38Å; R458-N475 PolarHBondContact NH2-O 2.97Å; N473-N475 PolarHBondContact O-N 2.86Å; N473-N475 WeakPolarHBondContact OD1-CA 3.39Å; N473-N475 WeakPolarHBondContact OD1-CB 3.46Å; N473-N475 PolarHBondContact OD1-N 3.45Å; N475-D477 WeakPolarHBondContact CB-OD2 3.47Å
476	G	93.6	Very high	92	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	80.8	13.5	-174.5	0	0	0	0	0	114.3	S204 R205 F472 N473	S204-G476 CarbonylContact C-O 3.58Å; S204-G476 VanDerWaalsContact CA-O 3.25Å; S204-G476 WeakPolarHBondContact CA-O 3.16Å; S204-G476 WeakPolarHBondContact CB-O 3.49Å; R205-G476 PolarHBondContact N-O 3.23Å; F472-G476 VanDerWaalsContact CD1-O 3.27Å; F472-G476 WeakPolarHBondContact CD1-O 3.44Å; N473-G476 PolarHBondContact O-N 3.21Å; N473-G476 PolarHBondContact OD1-N 3.15Å; N473-G476 VanDerWaalsContact OD1-N 3.12Å
477	D	95.4	Very high	92.6	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-90.7	147	178.2	-60.3	-60.3	0	0	0	112.6	S195 R205 P209 F472 N473 N475	S195-D477 WeakPolarHBondContact CB-OD2 3.32Å; S195-D477 PolarHBondContact OG-OD1 3.2Å; S195-D477 VanDerWaalsContact OG-OD1 3.04Å; S195-D477 PolarHBondContact OG-OD2 2.67Å; R205-D477 IonicContact CZ-OD1 2.7Å; R205-D477 IonicContact NE-OD1 2.71Å; R205-D477 PolarHBondContact NE-OD1 3.03Å; R205-D477 IonicContact NH2-OD1 3.41Å; R205-D477 PolarHBondContact NH2-OD1 3.37Å; P209-D477 HydrophobicContact CG-CB 4.43Å; F472-D477 CarbonylContact C-O 3.54Å; F472-D477 WeakPolarHBondContact CA-O 3.26Å; N473-D477 PolarHBondContact N-O 2.81Å; N473-D477 WeakPolarHBondContact OD1-CB 3.48Å; N473-D477 PolarHBondContact OD1-N 2.81Å; N473-D477 PolarHBondContact OD1-O 2.83Å; N475-D477 WeakPolarHBondContact CB-OD2 3.47Å
478	A	93.6	Very high	93	Very high	11 Å²	11	34.1 Å²	34.1	9%	0.091	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-75.5	148.9	163.7	0	0	0	0	0	112	R205 V206 P208	R205-A478 PolarHBondContact O-N 3.03Å; R205-A478 VanDerWaalsContact O-N 3.11Å; V206-A478 VanDerWaalsContact C-CB 3.46Å; V206-A478 WeakPolarHBondContact O-CB 3.34Å; P208-A478 WeakPolarHBondContact CA-O 3.47Å
479	P	92.4	Very high	93	Very high	53 Å²	53	33.7 Å²	33.7	34%	0.344	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-70.9	139.5	-179.1	28.2	-35.1	0	0	0	113.1	M471 R481	M471-P479 HydrophobicContact CG-CG 4.5Å; P479-R481 PolarHBondContact O-N 2.79Å
480	G	90.4	Very high	92.2	Very high	3 Å²	3	33.5 Å²	33.5	3%	0.031	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-60.2	117.8	179.4	0	0	0	0	0	113.9
481	R	92.3	Very high	90.8	Very high	86 Å²	86	40.6 Å²	40.6	33%	0.325	21%	0.207	S	C	.	.			trans	-145.7	119.9	172.7	-56.2	-176.5	-168	157.9	8.7	109	K345 P479 W503 T504	K345-R481 HydrophobicContact CB-CB 4.14Å; K345-R481 PolarHBondContact N-O 3.05Å; P479-R481 PolarHBondContact O-N 2.79Å; R481-W503 WeakPolarHBondContact CA-O 3.27Å; R481-T504 HydrophobicContact CB-CG2 4.27Å; R481-T504 HydrophobicContact CG-CG2 4.15Å
482	Y	95.1	Very high	89.3	Confident	1 Å²	1	45.1 Å²	45.1	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.8	-177.6	-53.7	-85.4	0	0	0	111.4	P208 P209 Y212 Q213 A216 L343 P344 S502 W503	P208-Y482 HydrophobicContact CG-CE1 4Å; P208-Y482 WeakPolarHBondContact CG-OH 3.26Å; P209-Y482 PolarHBondContact O-OH 2.99Å; Y212-Y482 WeakPolarHBondContact CB-OH 3.24Å; Q213-Y482 HydrophobicContact CG-CE1 3.59Å; Q213-Y482 WeakPolarHBondContact CG-OH 3.49Å; Q213-Y482 PolarHBondContact N-OH 3.1Å; A216-Y482 HydrophobicContact CB-CD2 4.25Å; L343-Y482 CarbonylContact O-C 3.48Å; L343-Y482 VanDerWaalsContact O-CA 3.29Å; L343-Y482 WeakPolarHBondContact O-CA 3.36Å; P344-Y482 HydrophobicContact CB-CD1 4.46Å; P344-Y482 HydrophobicContact CB-CE1 4.48Å; P344-Y482 HydrophobicContact CG-CD1 4.2Å; P344-Y482 HydrophobicContact CG-CE1 4.02Å; Y482-S502 CarbonylContact O-C 3.44Å; Y482-S502 VanDerWaalsContact O-CA 3.3Å; Y482-S502 WeakPolarHBondContact O-CA 3.09Å; Y482-W503 HydrophobicContact CD2-CD2 4.39Å; Y482-W503 AromaticContact CD2-CE3 3.75Å; Y482-W503 HydrophobicContact CD2-CE3 3.75Å; Y482-W503 HydrophobicContact CD2-CZ3 4.39Å; Y482-W503 HydrophobicContact CE2-CE3 4.08Å; Y482-W503 HydrophobicContact CE2-CZ3 4.26Å; Y482-W503 PolarHBondContact N-O 2.95Å; Y482-W503 PolarHBondContact O-N 2.61Å
483	D	95.2	Very high	88	Confident	19 Å²	19	46.9 Å²	46.9	10%	0.102	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	140.1	163.5	-72.4	-37.2	0	0	0	108.2	L343 K345 F485 L499	L343-D483 PolarHBondContact N-O 2.96Å; L343-D483 PolarHBondContact O-N 2.82Å; K345-D483 WeakPolarHBondContact CG-OD2 3.33Å; K345-D483 IonicContact NZ-OD1 3.17Å; K345-D483 PolarHBondContact NZ-OD1 3.47Å; K345-D483 IonicContact NZ-OD2 3.94Å; K345-D483 PolarHBondContact NZ-OD2 3.27Å; D483-F485 HydrophobicContact CB-CE2 3.74Å; D483-F485 HydrophobicContact CB-CZ 4.22Å; D483-L499 HydrophobicContact CB-CD1 3.69Å
484	I	96.9	Very high	87.3	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122.4	-170.2	-52.1	168.3	0	0	0	108.7	I220 I340 I342 I500 G501 W503 L507 L509	I220-I484 HydrophobicContact CD1-CD1 4Å; I220-I484 HydrophobicContact CD1-CG1 4.39Å; I220-I484 HydrophobicContact CD1-CG2 3.98Å; I220-I484 HydrophobicContact CG1-CD1 4.31Å; I340-I484 HydrophobicContact CG2-CG2 3.8Å; I342-I484 HydrophobicContact CG2-CG1 4.3Å; I484-I500 HydrophobicContact CB-CG1 4.45Å; I484-I500 HydrophobicContact CG2-CD1 4.11Å; I484-I500 HydrophobicContact CG2-CG1 4Å; I484-I500 WeakPolarHBondContact O-CG1 3.4Å; I484-I500 PolarHBondContact O-N 2.8Å; I484-G501 PolarHBondContact N-O 2.79Å; I484-G501 PolarHBondContact O-N 3.2Å; I484-W503 HydrophobicContact CD1-CB 4.31Å; I484-L507 HydrophobicContact CD1-CD1 3.22Å; I484-L509 HydrophobicContact CB-CD2 4.36Å; I484-L509 HydrophobicContact CD1-CD2 3.8Å; I484-L509 HydrophobicContact CG2-CD2 4.08Å
485	F	95.6	Very high	87.1	Confident	33 Å²	33	46.5 Å²	46.5	15%	0.145	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	153.7	-176.3	-64.3	-94.8	0	0	0	111.1	I340 T341 L343 D483 Y497 R498 L499	I340-F485 CarbonylContact C-O 3.49Å; I340-F485 WeakPolarHBondContact CA-O 3.32Å; T341-F485 PolarHBondContact N-O 2.96Å; T341-F485 PolarHBondContact O-N 2.84Å; L343-F485 HydrophobicContact CB-CD2 4.23Å; L343-F485 HydrophobicContact CB-CE2 4.02Å; L343-F485 HydrophobicContact CD2-CD2 4.48Å; L343-F485 HydrophobicContact CD2-CE2 3.81Å; L343-F485 HydrophobicContact CD2-CZ 4.37Å; D483-F485 HydrophobicContact CB-CE2 3.74Å; D483-F485 HydrophobicContact CB-CZ 4.22Å; F485-Y497 HydrophobicContact CB-CD1 4.39Å; F485-R498 CarbonylContact C-O 3.56Å; F485-R498 WeakPolarHBondContact CA-O 3.34Å; F485-L499 HydrophobicContact CD1-CB 4.36Å; F485-L499 HydrophobicContact CE1-CB 4.08Å; F485-L499 HydrophobicContact CE1-CD1 4.16Å; F485-L499 HydrophobicContact CE2-CD1 4.23Å; F485-L499 HydrophobicContact CZ-CD1 3.96Å
486	Q	94.6	Very high	86.9	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.2	162	-161	-175.7	27.7	0	0	109.4	G338 A339 I340 Q488 Y497 R498 I500 H515	G338-Q486 WeakPolarHBondContact O-CG 3.46Å; G338-Q486 PolarHBondContact O-NE2 2.73Å; A339-Q486 CarbonylContact O-C 3.56Å; A339-Q486 VanDerWaalsContact O-CA 3.29Å; A339-Q486 WeakPolarHBondContact O-CA 3.46Å; A339-Q486 WeakPolarHBondContact O-CG 3.43Å; I340-Q486 HydrophobicContact CG1-CG 4.4Å; Q486-Q488 HydrophobicContact CB-CG 4.21Å; Q486-Q488 HydrophobicContact CG-CG 4.28Å; Q486-Q488 PolarHBondContact O-N 2.9Å; Q486-Y497 WeakPolarHBondContact O-CA 3.49Å; Q486-R498 PolarHBondContact N-O 3.43Å; Q486-R498 PolarHBondContact O-N 3.17Å; Q486-I500 HydrophobicContact CB-CD1 4.07Å; Q486-I500 HydrophobicContact CB-CG1 4.33Å; Q486-I500 HydrophobicContact CB-CG2 3.78Å; Q486-H515 PolarHBondContact NE2-O 3.01Å; Q486-H515 PolarHBondContact OE1-O 3.43Å
487	Y	93.5	Very high	86.8	Confident	15 Å²	15	49.8 Å²	49.8	6%	0.059	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	112.7	172.9	-167.3	-109.7	0	0	0	109.9	V329 E333 A336 G338 A339 P495 Y497	V329-Y487 HydrophobicContact CG2-CE2 3.95Å; E333-Y487 HydrophobicContact CB-CE1 4.18Å; E333-Y487 VanDerWaalsContact CG-OH 3.26Å; E333-Y487 WeakPolarHBondContact CG-OH 3.49Å; A336-Y487 HydrophobicContact CB-CD1 3.69Å; A336-Y487 HydrophobicContact CB-CE1 3.9Å; A336-Y487 HydrophobicContact CB-CG 4.45Å; G338-Y487 PolarHBondContact N-O 3.28Å; A339-Y487 PolarHBondContact O-N 3.4Å; Y487-P495 HydrophobicContact CE1-CB 3.92Å; Y487-P495 HydrophobicContact CE2-CB 4.28Å; Y487-Y497 AromaticContact CD2-CD1 3.77Å; Y487-Y497 HydrophobicContact CD2-CD1 3.77Å; Y487-Y497 AromaticContact CD2-CD2 4Å; Y487-Y497 HydrophobicContact CD2-CD2 4Å; Y487-Y497 AromaticContact CD2-CE1 3.56Å; Y487-Y497 HydrophobicContact CD2-CE1 3.56Å; Y487-Y497 AromaticContact CD2-CE2 3.8Å; Y487-Y497 HydrophobicContact CD2-CE2 3.8Å; Y487-Y497 AromaticContact CD2-CG 3.98Å; Y487-Y497 HydrophobicContact CD2-CG 3.98Å; Y487-Y497 AromaticContact CD2-CZ 3.58Å; Y487-Y497 HydrophobicContact CE2-CD2 4.33Å; Y487-Y497 HydrophobicContact CE2-CE1 4.47Å; Y487-Y497 AromaticContact CE2-CE2 3.97Å; Y487-Y497 HydrophobicContact CE2-CE2 3.97Å; Y487-Y497 HydrophobicContact CG-CD1 4.39Å; Y487-Y497 HydrophobicContact CG-CE1 4.09Å
488	Q	90.4	Very high	86.7	Confident	6 Å²	6	55.1 Å²	55.1	3%	0.028	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146	-170.9	-64.9	-177.7	-4	0	0	111.5	Q486 I490 P495 E496 A513 H515	Q486-Q488 HydrophobicContact CB-CG 4.21Å; Q486-Q488 HydrophobicContact CG-CG 4.28Å; Q486-Q488 PolarHBondContact O-N 2.9Å; Q488-I490 HydrophobicContact CB-CG1 4.49Å; Q488-P495 VanDerWaalsContact O-CA 3.29Å; Q488-P495 WeakPolarHBondContact O-CA 3.28Å; Q488-E496 PolarHBondContact N-O 2.78Å; Q488-E496 PolarHBondContact O-N 3.21Å; Q488-A513 PolarHBondContact NE2-O 3.25Å; Q488-H515 HydrophobicContact CG-CB 4.12Å
489	S	83.1	Confident	86.7	Confident	28 Å²	28	59 Å²	59	20%	0.196	29%	0.294	C	S	.	.			trans	-122.4	124.1	170	-174.4	0	0	0	0	107.4
490	I	73.5	Confident	86.8	Confident	52 Å²	52	56.5 Å²	56.5	27%	0.267	28%	0.278	S	S	.	.			trans	-127.8	116.3	-172	-57.5	177.2	0	0	0	109.1	Q488 N492 S493	Q488-I490 HydrophobicContact CB-CG1 4.49Å; I490-N492 VanDerWaalsContact C-N 3.34Å; I490-N492 PolarHBondContact O-N 3.31Å; I490-S493 PolarHBondContact N-OG 3.29Å; I490-S493 WeakPolarHBondContact O-CB 3.26Å; I490-S493 PolarHBondContact O-N 2.94Å; I490-S493 PolarHBondContact O-OG 3.25Å; I490-S493 VanDerWaalsContact O-OG 3.11Å
491	N	65.6	Low	87.1	Confident	161 Å²	161	56.7 Å²	56.7	86%	0.861	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	47.8	172	-61.9	-17.7	0	0	0	114.6	S493	N491-S493 PolarHBondContact O-N 3.43Å
492	N	63.3	Low	87.3	Confident	167 Å²	167	54.6 Å²	54.6	89%	0.893	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	20.3	-175.4	-61.3	-20.7	0	0	0	115.4	I490	I490-N492 VanDerWaalsContact C-N 3.34Å; I490-N492 PolarHBondContact O-N 3.31Å
493	S	68.2	Low	87.3	Confident	53 Å²	53	54.8 Å²	54.8	37%	0.371	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-61.9	163.7	162.9	78.3	0	0	0	0	110.8	I490 N491	I490-S493 PolarHBondContact N-OG 3.29Å; I490-S493 WeakPolarHBondContact O-CB 3.26Å; I490-S493 PolarHBondContact O-N 2.94Å; I490-S493 PolarHBondContact O-OG 3.25Å; I490-S493 VanDerWaalsContact O-OG 3.11Å; N491-S493 PolarHBondContact O-N 3.43Å
494	K	78.4	Confident	87.2	Confident	186 Å²	186	57.3 Å²	57.3	81%	0.809	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-58.6	133.3	162	-172.3	-178.1	178.1	-173.5	0	108.5
495	P	84.6	Confident	86.8	Confident	37 Å²	37	62.9 Å²	62.9	24%	0.24	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-64.2	139.7	174.9	-24.5	35.2	0	0	0	112.2	Y487 Q488	Y487-P495 HydrophobicContact CE1-CB 3.92Å; Y487-P495 HydrophobicContact CE2-CB 4.28Å; Q488-P495 VanDerWaalsContact O-CA 3.29Å; Q488-P495 WeakPolarHBondContact O-CA 3.28Å
496	E	89.6	Confident	86.7	Confident	93 Å²	93	68.5 Å²	68.5	44%	0.435	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	159.9	-175.4	64.6	173.8	-163	0	0	112.7	Q488 R498	Q488-E496 PolarHBondContact N-O 2.78Å; Q488-E496 PolarHBondContact O-N 3.21Å; E496-R498 HydrophobicContact CG-CG 4.24Å; E496-R498 WeakPolarHBondContact OE1-CG 3.47Å; E496-R498 IonicContact OE1-CZ 3.78Å; E496-R498 IonicContact OE1-NE 3.31Å; E496-R498 PolarHBondContact OE1-NE 3.03Å; E496-R498 IonicContact OE1-NH2 2.75Å
497	Y	91.7	Very high	86.8	Confident	38 Å²	38	70.2 Å²	70.2	15%	0.149	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	114.3	168.9	-67.2	-81.9	0	0	0	109.7	W322 G323 S324 K325 V329 F485 Q486 Y487	W322-Y497 AromaticContact NE1-CE1 3.91Å; W322-Y497 AromaticContact NE1-CZ 3.77Å; W322-Y497 PolarHBondContact NE1-OH 3.44Å; G323-Y497 WeakPolarHBondContact O-CE1 3.4Å; S324-Y497 VanDerWaalsContact C-CD2 3.48Å; S324-Y497 VanDerWaalsContact O-CD2 3.26Å; S324-Y497 WeakPolarHBondContact O-CD2 3.46Å; S324-Y497 WeakPolarHBondContact O-CE2 3.35Å; K325-Y497 VanDerWaalsContact O-CE2 3.23Å; K325-Y497 WeakPolarHBondContact O-CE2 3.49Å; K325-Y497 VanDerWaalsContact O-CZ 3.31Å; K325-Y497 PolarHBondContact O-OH 2.98Å; V329-Y497 WeakPolarHBondContact CG1-OH 3.37Å; F485-Y497 HydrophobicContact CB-CD1 4.39Å; Q486-Y497 WeakPolarHBondContact O-CA 3.49Å; Y487-Y497 AromaticContact CD2-CD1 3.77Å; Y487-Y497 HydrophobicContact CD2-CD1 3.77Å; Y487-Y497 AromaticContact CD2-CD2 4Å; Y487-Y497 HydrophobicContact CD2-CD2 4Å; Y487-Y497 AromaticContact CD2-CE1 3.56Å; Y487-Y497 HydrophobicContact CD2-CE1 3.56Å; Y487-Y497 AromaticContact CD2-CE2 3.8Å; Y487-Y497 HydrophobicContact CD2-CE2 3.8Å; Y487-Y497 AromaticContact CD2-CG 3.98Å; Y487-Y497 HydrophobicContact CD2-CG 3.98Å; Y487-Y497 AromaticContact CD2-CZ 3.58Å; Y487-Y497 HydrophobicContact CE2-CD2 4.33Å; Y487-Y497 HydrophobicContact CE2-CE1 4.47Å; Y487-Y497 AromaticContact CE2-CE2 3.97Å; Y487-Y497 HydrophobicContact CE2-CE2 3.97Å; Y487-Y497 HydrophobicContact CG-CD1 4.39Å; Y487-Y497 HydrophobicContact CG-CE1 4.09Å
498	R	92.6	Very high	86.9	Confident	115 Å²	115	74.7 Å²	74.7	43%	0.434	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	137.4	174.2	-85.9	175.8	163.4	-147.3	-2.6	111.8	F485 Q486 E496 I500	F485-R498 CarbonylContact C-O 3.56Å; F485-R498 WeakPolarHBondContact CA-O 3.34Å; Q486-R498 PolarHBondContact N-O 3.43Å; Q486-R498 PolarHBondContact O-N 3.17Å; E496-R498 HydrophobicContact CG-CG 4.24Å; E496-R498 WeakPolarHBondContact OE1-CG 3.47Å; E496-R498 IonicContact OE1-CZ 3.78Å; E496-R498 IonicContact OE1-NE 3.31Å; E496-R498 PolarHBondContact OE1-NE 3.03Å; E496-R498 IonicContact OE1-NH2 2.75Å; R498-I500 PolarHBondContact O-N 2.66Å
499	L	93.9	Very high	87.1	Confident	92 Å²	92	76.1 Å²	76.1	48%	0.482	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	102.2	174.4	-178.2	70.7	0	0	0	110	D483 F485 G501	D483-L499 HydrophobicContact CB-CD1 3.69Å; F485-L499 HydrophobicContact CD1-CB 4.36Å; F485-L499 HydrophobicContact CE1-CB 4.08Å; F485-L499 HydrophobicContact CE1-CD1 4.16Å; F485-L499 HydrophobicContact CE2-CD1 4.23Å; F485-L499 HydrophobicContact CZ-CD1 3.96Å; L499-G501 VanDerWaalsContact CD1-O 3.3Å; L499-G501 WeakPolarHBondContact CD1-O 3.44Å
500	I	95.1	Very high	87.5	Confident	1 Å²	1	81.1 Å²	81.1	1%	0.005	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-15.9	178.8	59.7	159.2	0	0	0	112.9	I340 I484 Q486 R498 L509 K510 M514	I340-I500 HydrophobicContact CG2-CD1 4.47Å; I484-I500 HydrophobicContact CB-CG1 4.45Å; I484-I500 HydrophobicContact CG2-CD1 4.11Å; I484-I500 HydrophobicContact CG2-CG1 4Å; I484-I500 WeakPolarHBondContact O-CG1 3.4Å; I484-I500 PolarHBondContact O-N 2.8Å; Q486-I500 HydrophobicContact CB-CD1 4.07Å; Q486-I500 HydrophobicContact CB-CG1 4.33Å; Q486-I500 HydrophobicContact CB-CG2 3.78Å; R498-I500 PolarHBondContact O-N 2.66Å; I500-L509 HydrophobicContact CD1-CD2 4.1Å; I500-L509 HydrophobicContact CG1-CD2 4.33Å; I500-K510 WeakPolarHBondContact O-CB 3.25Å; I500-K510 PolarHBondContact O-N 3.37Å; I500-M514 HydrophobicContact CB-CG 4.25Å; I500-M514 HydrophobicContact CD1-CE 3.82Å; I500-M514 HydrophobicContact CD1-CG 3.99Å; I500-M514 HydrophobicContact CD1-SD 3.91Å; I500-M514 HydrophobicContact CG2-CG 4.09Å
501	G	95.5	Very high	88.2	Confident	8 Å²	8	82.2 Å²	82.2	8%	0.082	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179	-169.6	-179.6	0	0	0	0	0	115.2	I484 L499 H508	I484-G501 PolarHBondContact N-O 2.79Å; I484-G501 PolarHBondContact O-N 3.2Å; L499-G501 VanDerWaalsContact CD1-O 3.3Å; L499-G501 WeakPolarHBondContact CD1-O 3.44Å; G501-H508 CarbonylContact C-O 3.55Å; G501-H508 WeakPolarHBondContact CA-O 3.01Å
502	S	96.1	Very high	89.1	Confident	42 Å²	42	82.5 Å²	82.5	29%	0.294	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	154.9	177.2	58.2	0	0	0	0	111.4	Y482 H508	Y482-S502 CarbonylContact O-C 3.44Å; Y482-S502 VanDerWaalsContact O-CA 3.3Å; Y482-S502 WeakPolarHBondContact O-CA 3.09Å; S502-H508 PolarHBondContact N-O 3.2Å; S502-H508 PolarHBondContact O-N 2.9Å
503	W	96.5	Very high	90.3	Very high	5 Å²	5	76.5 Å²	76.5	2%	0.019	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.5	176.8	-172	98.3	0	0	0	111.4	Y212 Q215 A216 D219 R481 Y482 I484 N505 K506	Y212-W503 HydrophobicContact CD1-CH2 4.01Å; Y212-W503 HydrophobicContact CD1-CZ3 4.47Å; Q215-W503 HydrophobicContact CB-CZ2 4.22Å; Q215-W503 HydrophobicContact CG-CZ2 3.87Å; A216-W503 HydrophobicContact CB-CB 4.16Å; A216-W503 HydrophobicContact CB-CD2 3.88Å; A216-W503 HydrophobicContact CB-CG 3.68Å; D219-W503 PolarHBondContact OD2-NE1 2.87Å; R481-W503 WeakPolarHBondContact CA-O 3.27Å; Y482-W503 HydrophobicContact CD2-CD2 4.39Å; Y482-W503 AromaticContact CD2-CE3 3.75Å; Y482-W503 HydrophobicContact CD2-CE3 3.75Å; Y482-W503 HydrophobicContact CD2-CZ3 4.39Å; Y482-W503 HydrophobicContact CE2-CE3 4.08Å; Y482-W503 HydrophobicContact CE2-CZ3 4.26Å; Y482-W503 PolarHBondContact N-O 2.95Å; Y482-W503 PolarHBondContact O-N 2.61Å; I484-W503 HydrophobicContact CD1-CB 4.31Å; W503-N505 VanDerWaalsContact CZ3-N 3.31Å; W503-K506 WeakPolarHBondContact CA-O 3.28Å
504	T	93.2	Very high	91.2	Very high	71 Å²	71	75 Å²	75	44%	0.436	37%	0.373	S	S	.	.	S	Bend	trans	-146.7	80.3	174.7	54.5	0	0	0	0	109.8	R481 K506	R481-T504 HydrophobicContact CB-CG2 4.27Å; R481-T504 HydrophobicContact CG-CG2 4.15Å; T504-K506 PolarHBondContact N-O 2.93Å; T504-K506 PolarHBondContact O-N 3.28Å
505	N	88.4	Confident	91.5	Very high	118 Å²	118	70.5 Å²	70.5	63%	0.631	36%	0.355	S	S	*	.	S	Bend	trans	59.2	-5.8	-167.5	-60.4	-7.7	0	0	0	115.6	W503	W503-N505 VanDerWaalsContact CZ3-N 3.31Å
506	K	93.5	Very high	91.5	Very high	150 Å²	150	69.8 Å²	69.8	65%	0.652	35%	0.348	S	S	*	.	S	Bend	trans	-146.2	148.4	171.2	-68.6	-171	176.7	-174.6	0	108.4	W503 T504	W503-K506 WeakPolarHBondContact CA-O 3.28Å; T504-K506 PolarHBondContact N-O 2.93Å; T504-K506 PolarHBondContact O-N 3.28Å
507	L	95.9	Very high	90.6	Very high	37 Å²	37	69.8 Å²	69.8	19%	0.194	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	134.5	176.8	-178.3	62.8	0	0	0	112	D219 I220 A223 I484 L509	D219-L507 VanDerWaalsContact C-CD2 3.42Å; D219-L507 HydrophobicContact CB-CB 3.88Å; D219-L507 HydrophobicContact CB-CD2 3.82Å; D219-L507 HydrophobicContact CB-CG 4.4Å; D219-L507 VanDerWaalsContact O-CD2 3.3Å; D219-L507 WeakPolarHBondContact O-CD2 3.02Å; I220-L507 HydrophobicContact CG1-CD1 3.88Å; I220-L507 HydrophobicContact CG1-CD2 4.03Å; A223-L507 HydrophobicContact CB-CD2 3.81Å; I484-L507 HydrophobicContact CD1-CD1 3.22Å; L507-L509 HydrophobicContact CD1-CD1 4.38Å; L507-L509 HydrophobicContact CD1-CD2 4.03Å; L507-L509 HydrophobicContact CD1-CG 3.8Å; L507-L509 HydrophobicContact CD2-CD1 3.86Å; L507-L509 HydrophobicContact CD2-CG 4Å; L507-L509 HydrophobicContact CG-CD1 4.32Å; L507-L509 HydrophobicContact CG-CG 3.89Å
508	H	95.8	Very high	89	Confident	109 Å²	109	72.3 Å²	72.3	51%	0.505	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	99.2	169.6	-64.3	-76.3	0	0	0	109.5	G501 S502	G501-H508 CarbonylContact C-O 3.55Å; G501-H508 WeakPolarHBondContact CA-O 3.01Å; S502-H508 PolarHBondContact N-O 3.2Å; S502-H508 PolarHBondContact O-N 2.9Å
509	L	93.8	Very high	87.1	Confident	36 Å²	36	71.4 Å²	71.4	19%	0.188	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	150.7	174.6	-68.2	179.5	0	0	0	111.6	A223 M224 I484 I500 L507 M511	A223-L509 HydrophobicContact CB-CD1 4.24Å; M224-L509 HydrophobicContact CE-CD1 3.43Å; M224-L509 VanDerWaalsContact CE-CD1 3.43Å; I484-L509 HydrophobicContact CB-CD2 4.36Å; I484-L509 HydrophobicContact CD1-CD2 3.8Å; I484-L509 HydrophobicContact CG2-CD2 4.08Å; I500-L509 HydrophobicContact CD1-CD2 4.1Å; I500-L509 HydrophobicContact CG1-CD2 4.33Å; L507-L509 HydrophobicContact CD1-CD1 4.38Å; L507-L509 HydrophobicContact CD1-CD2 4.03Å; L507-L509 HydrophobicContact CD1-CG 3.8Å; L507-L509 HydrophobicContact CD2-CD1 3.86Å; L507-L509 HydrophobicContact CD2-CG 4Å; L507-L509 HydrophobicContact CG-CD1 4.32Å; L507-L509 HydrophobicContact CG-CG 3.89Å; L509-M511 HydrophobicContact CB-SD 4.27Å; L509-M511 HydrophobicContact CD1-CE 4.22Å; L509-M511 HydrophobicContact CD1-SD 4.34Å
510	K	92.4	Very high	85.4	Confident	132 Å²	132	71.6 Å²	71.6	57%	0.574	39%	0.393	S	S	*	.			trans	-107.3	91.6	169.3	-61.3	175.3	-177.3	176.3	0	108.8	I500 D512 A513	I500-K510 WeakPolarHBondContact O-CB 3.25Å; I500-K510 PolarHBondContact O-N 3.37Å; K510-D512 PolarHBondContact O-N 3.28Å; K510-A513 HydrophobicContact CB-CB 3.84Å; K510-A513 WeakPolarHBondContact O-CB 3.41Å; K510-A513 PolarHBondContact O-N 2.98Å
511	M	87.3	Confident	83.8	Confident	75 Å²	75	80.9 Å²	80.9	37%	0.369	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-58.5	-38.4	-178.1	-60.7	-50.8	-158.5	0	0	111.9	A223 M224 L509 A513 M514	A223-M511 HydrophobicContact CB-CE 4.1Å; A223-M511 WeakPolarHBondContact O-CE 3.37Å; M224-M511 HydrophobicContact CE-CE 3.92Å; M224-M511 HydrophobicContact CE-SD 3.98Å; M224-M511 HydrophobicContact SD-CE 4.42Å; L509-M511 HydrophobicContact CB-SD 4.27Å; L509-M511 HydrophobicContact CD1-CE 4.22Å; L509-M511 HydrophobicContact CD1-SD 4.34Å; M511-A513 PolarHBondContact O-N 2.94Å; M511-A513 VanDerWaalsContact O-N 3.09Å; M511-M514 WeakPolarHBondContact O-CB 3.43Å; M511-M514 PolarHBondContact O-N 3.39Å; M511-M514 HydrophobicContact SD-SD 3.81Å
512	D	85.7	Confident	82.7	Confident	168 Å²	168	83.7 Å²	83.7	90%	0.898	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-63	-16.7	177.4	-38.2	-55.6	0	0	0	114.1	K510	K510-D512 PolarHBondContact O-N 3.28Å
513	A	87.1	Confident	82	Confident	41 Å²	41	84.9 Å²	84.9	34%	0.339	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-95.6	-2.2	177.5	0	0	0	0	0	113.1	Q488 K510 M511	Q488-A513 PolarHBondContact NE2-O 3.25Å; K510-A513 HydrophobicContact CB-CB 3.84Å; K510-A513 WeakPolarHBondContact O-CB 3.41Å; K510-A513 PolarHBondContact O-N 2.98Å; M511-A513 PolarHBondContact O-N 2.94Å; M511-A513 VanDerWaalsContact O-N 3.09Å
514	M	88.1	Confident	81.5	Confident	21 Å²	21	85.3 Å²	85.3	10%	0.103	46%	0.461	C	S	.	.			trans	-85.2	151	177.8	-62.7	-173.3	67.8	0	0	111.3	M224 I340 I500 M511 W516	M224-M514 HydrophobicContact CE-CE 3.68Å; M224-M514 HydrophobicContact CE-SD 3.63Å; M224-M514 HydrophobicContact SD-CE 4.04Å; M224-M514 HydrophobicContact SD-SD 4.32Å; I340-M514 HydrophobicContact CD1-CE 3.78Å; I340-M514 HydrophobicContact CG1-CE 4.16Å; I500-M514 HydrophobicContact CB-CG 4.25Å; I500-M514 HydrophobicContact CD1-CE 3.82Å; I500-M514 HydrophobicContact CD1-CG 3.99Å; I500-M514 HydrophobicContact CD1-SD 3.91Å; I500-M514 HydrophobicContact CG2-CG 4.09Å; M511-M514 WeakPolarHBondContact O-CB 3.43Å; M511-M514 PolarHBondContact O-N 3.39Å; M511-M514 HydrophobicContact SD-SD 3.81Å; M514-W516 HydrophobicContact CE-CH2 3.85Å; M514-W516 HydrophobicContact CE-CZ2 3.43Å; M514-W516 VanDerWaalsContact CE-CZ2 3.43Å
515	H	85.2	Confident	81.4	Confident	92 Å²	92	84.9 Å²	84.9	43%	0.426	47%	0.465	S	S	.	.			trans	-135.4	140.9	177.3	-161.7	53.8	0	0	0	110.6	Q486 Q488	Q486-H515 PolarHBondContact NE2-O 3.01Å; Q486-H515 PolarHBondContact OE1-O 3.43Å; Q488-H515 HydrophobicContact CG-CB 4.12Å
516	W	84.9	Confident	81.7	Confident	22 Å²	22	79.2 Å²	79.2	8%	0.083	44%	0.435	C	S	.	.			trans	-128.9	150.4	-179	-56.7	113.5	0	0	0	109.4	M224 W226 L315 G338 I340 M514 T518 L523 P524	M224-W516 HydrophobicContact SD-CZ2 4.2Å; W226-W516 HydrophobicContact CH2-CH2 4.32Å; W226-W516 HydrophobicContact CZ2-CH2 4.18Å; L315-W516 HydrophobicContact CD2-CE3 4.45Å; L315-W516 HydrophobicContact CD2-CZ3 4.19Å; G338-W516 VanDerWaalsContact O-CZ3 3.3Å; G338-W516 WeakPolarHBondContact O-CZ3 3.44Å; I340-W516 HydrophobicContact CD1-CH2 4.17Å; M514-W516 HydrophobicContact CE-CH2 3.85Å; M514-W516 HydrophobicContact CE-CZ2 3.43Å; M514-W516 VanDerWaalsContact CE-CZ2 3.43Å; W516-T518 VanDerWaalsContact C-N 3.29Å; W516-T518 PolarHBondContact O-N 3.02Å; W516-L523 HydrophobicContact CZ2-CD2 4.27Å; W516-P524 HydrophobicContact CD2-CG 3.75Å; W516-P524 VanDerWaalsContact CE2-CD 3.43Å; W516-P524 HydrophobicContact CE3-CG 3.85Å; W516-P524 HydrophobicContact CG-CG 4.25Å; W516-P524 HydrophobicContact CH2-CG 4.15Å; W516-P524 HydrophobicContact CZ2-CG 4.07Å; W516-P524 HydrophobicContact CZ3-CG 4.05Å
517	K	69.8	Low	81.6	Confident	93 Å²	93	73.6 Å²	73.6	40%	0.404	41%	0.413	S	S	.	.	S	Bend	trans	-66	-27.8	-174.1	-174	178.5	-165.4	162.7	0	114.3	T311 M334 E337	T311-K517 PolarHBondContact O-NZ 3.32Å; M334-K517 PolarHBondContact O-NZ 2.04Å; E337-K517 HydrophobicContact CG-CB 4.37Å; E337-K517 WeakPolarHBondContact OE2-CD 3.35Å; E337-K517 WeakPolarHBondContact OE2-CE 3.31Å; E337-K517 WeakPolarHBondContact OE2-CG 3.4Å; E337-K517 IonicContact OE2-NZ 3.78Å; E337-K517 PolarHBondContact OE2-NZ 3.38Å
518	T	57.7	Low	81.4	Confident	91 Å²	91	72.6 Å²	72.6	56%	0.558	41%	0.409	S	S	*	.	S	Bend	trans	-70.8	133.9	171.8	-26.3	0	0	0	0	108.2	W516 D520	W516-T518 VanDerWaalsContact C-N 3.29Å; W516-T518 PolarHBondContact O-N 3.02Å; T518-D520 PolarHBondContact O-N 3.4Å
519	G	53.4	Low	81.1	Confident	96 Å²	96	68.4 Å²	68.4	99%	0.99	39%	0.391	S	S	*	.	S	Bend	trans	-69.7	23.2	177.4	0	0	0	0	0	115.3
520	D	58.8	Low	80.9	Confident	95 Å²	95	72.9 Å²	72.9	51%	0.508	42%	0.415	S	S	.	.	S	Bend	trans	-116.1	135.3	176.2	179.1	10.6	0	0	0	107.2	T518 S522	T518-D520 PolarHBondContact O-N 3.4Å; D520-S522 PolarHBondContact O-N 3.33Å; D520-S522 PolarHBondContact OD1-N 2.85Å; D520-S522 WeakPolarHBondContact OD2-CB 3.35Å; D520-S522 PolarHBondContact OD2-OG 2.9Å
521	Q	60.9	Low	80.6	Confident	197 Å²	197	71.5 Å²	71.5	92%	0.921	42%	0.419	S	S	*	.			trans	-78.8	-3.5	-177.7	-68.1	-176.8	-43.6	0	0	112.9
522	S	72.3	Confident	80.8	Confident	66 Å²	66	69.2 Å²	69.2	46%	0.462	41%	0.411	S	S	.	.	S	Bend	trans	-60.2	143.9	175.6	67.1	0	0	0	0	113	D520	D520-S522 PolarHBondContact O-N 3.33Å; D520-S522 PolarHBondContact OD1-N 2.85Å; D520-S522 WeakPolarHBondContact OD2-CB 3.35Å; D520-S522 PolarHBondContact OD2-OG 2.9Å
523	L	81.1	Confident	81	Confident	67 Å²	67	70.8 Å²	70.8	35%	0.351	40%	0.404	S	S	.	.			trans	-66	129.6	174.6	-71.1	174.6	0	0	0	109.8	M224 W516 A525	M224-L523 HydrophobicContact SD-CD2 3.9Å; W516-L523 HydrophobicContact CZ2-CD2 4.27Å; L523-A525 PolarHBondContact O-N 3.41Å
524	P	87.3	Confident	81	Confident	14 Å²	14	73.4 Å²	73.4	9%	0.091	42%	0.416	C	S	.	.			trans	-72.4	113.7	-178	28.7	-34.3	0	0	0	110.3	W226 L315 W516	W226-P524 PolarHBondContact NE1-O 3.49Å; L315-P524 HydrophobicContact CD1-CB 3.94Å; L315-P524 HydrophobicContact CD1-CG 3.9Å; L315-P524 HydrophobicContact CD2-CB 4.03Å; L315-P524 HydrophobicContact CD2-CG 3.73Å; L315-P524 HydrophobicContact CG-CG 4.48Å; W516-P524 HydrophobicContact CD2-CG 3.75Å; W516-P524 VanDerWaalsContact CE2-CD 3.43Å; W516-P524 HydrophobicContact CE3-CG 3.85Å; W516-P524 HydrophobicContact CG-CG 4.25Å; W516-P524 HydrophobicContact CH2-CG 4.15Å; W516-P524 HydrophobicContact CZ2-CG 4.07Å; W516-P524 HydrophobicContact CZ3-CG 4.05Å
525	A	89.8	Confident	80.9	Confident	62 Å²	62	72.6 Å²	72.6	51%	0.512	41%	0.413	S	S	.	.			trans	-65.8	141.1	-175.4	0	0	0	0	0	114	L523	L523-A525 PolarHBondContact O-N 3.41Å
526	S	94.2	Very high	81.2	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	41%	0.405	C	S	.	.			trans	-131.8	88.3	168.3	-166.6	0	0	0	0	109	N227 Y228 R287 A288	N227-S526 PolarHBondContact N-O 3.28Å; Y228-S526 PolarHBondContact N-O 3.33Å; Y228-S526 VanDerWaalsContact N-O 3.14Å; Y228-S526 PolarHBondContact O-OG 2.89Å; R287-S526 PolarHBondContact N-OG 3.32Å; A288-S526 WeakPolarHBondContact CB-OG 3.42Å; A288-S526 PolarHBondContact N-OG 3.38Å
527	V	93.1	Very high	81.5	Confident	31 Å²	31	73.5 Å²	73.5	19%	0.188	42%	0.415	C	S	.	.			trans	-137.8	142.8	-171	-60.1	0	0	0	0	111.2	N227 L530	N227-V527 VanDerWaalsContact OD1-CA 3.25Å; N227-V527 WeakPolarHBondContact OD1-CA 3.22Å; N227-V527 WeakPolarHBondContact OD1-CB 3.12Å; V527-L530 HydrophobicContact CG2-CD2 4.26Å
528	C	91.1	Very high	82.5	Confident	16 Å²	16	70.3 Å²	70.3	11%	0.108	40%	0.401	C	S	.	.	S	Bend	trans	-70.1	-40	-174.5	-171.7	0	0	0	0	112.5	N227 Y228 N285 C546 C547	N227-C528 PolarHBondContact OD1-N 2.85Å; Y228-C528 VanDerWaalsContact CD1-CA 3.45Å; Y228-C528 HydrophobicContact CD1-CB 3.66Å; Y228-C528 HydrophobicContact CD2-CB 3.7Å; Y228-C528 HydrophobicContact CE1-CB 3.96Å; Y228-C528 HydrophobicContact CE2-CB 4Å; Y228-C528 HydrophobicContact CG-CB 3.52Å; N285-C528 PolarHBondContact ND2-O 2.87Å; C528-C546 WeakPolarHBondContact CB-O 3.39Å; C528-C547 HydrophobicContact CB-CB 3.98Å; C528-C547 WeakPolarHBondContact CB-SG 3.38Å; C528-C547 WeakPolarHBondContact SG-CB 3.06Å; C528-C547 CovalentContact SG-SG 2.03Å; C528-C547 PolarHBondContact SG-SG 3.45Å
529	S	89.6	Confident	84.1	Confident	21 Å²	21	70.6 Å²	70.6	15%	0.147	39%	0.394	C	S	.	.	S	Bend	trans	-142.8	135	-172.7	-56.3	0	0	0	0	109.3	W548	S529-W548 WeakPolarHBondContact CB-O 3.05Å; S529-W548 VanDerWaalsContact O-CZ2 3.28Å; S529-W548 WeakPolarHBondContact O-CZ2 3.49Å; S529-W548 PolarHBondContact OG-N 3.24Å; S529-W548 PolarHBondContact OG-O 3.4Å
530	L	88.3	Confident	85.8	Confident	130 Å²	130	69.2 Å²	69.2	68%	0.681	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-72.3	158.6	177.2	-66.3	175	0	0	0	110.8	V527 C532 W548	V527-L530 HydrophobicContact CG2-CD2 4.26Å; L530-C532 PolarHBondContact O-N 2.03Å; L530-W548 PolarHBondContact O-NE1 2.98Å
531	P	87.9	Confident	87.2	Confident	103 Å²	103	66.9 Å²	66.9	67%	0.669	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-53	136.8	168.7	-25.4	35.1	0	0	0	111.6
532	C	90.4	Very high	88.2	Confident	27 Å²	27	67.4 Å²	67.4	18%	0.182	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-72.6	154.9	177.7	-61.7	0	0	0	0	111.5	L530 Q536 C550	L530-C532 PolarHBondContact O-N 2.03Å; C532-Q536 HydrophobicContact CB-CB 4.14Å; C532-C550 WeakPolarHBondContact CA-SG 3.46Å; C532-C550 HydrophobicContact CB-CB 3.71Å; C532-C550 WeakPolarHBondContact CB-SG 3.36Å; C532-C550 WeakPolarHBondContact SG-CA 3.28Å; C532-C550 WeakPolarHBondContact SG-CB 3.44Å; C532-C550 CovalentContact SG-SG 2.04Å; C532-C550 PolarHBondContact SG-SG 3.14Å
533	R	89.6	Confident	88.6	Confident	201 Å²	201	68 Å²	68	76%	0.758	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-76.4	158.2	177	-59.1	-178.4	179.5	-178.7	-0.5	110.4	G535 Q536	R533-G535 PolarHBondContact O-N 2.74Å; R533-Q536 HydrophobicContact CB-CG 4.41Å; R533-Q536 VanDerWaalsContact N-OE1 3.1Å; R533-Q536 VanDerWaalsContact O-CB 3.26Å; R533-Q536 WeakPolarHBondContact O-CB 3.42Å; R533-Q536 PolarHBondContact O-N 2.63Å
534	T	87.3	Confident	88.7	Confident	97 Å²	97	67.1 Å²	67.1	60%	0.595	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	136.4	170.6	49.8	0	0	0	0	111.1	Q536 N577 T579	T534-Q536 VanDerWaalsContact C-N 3.31Å; T534-N577 CarbonylContact C-O 3.52Å; T534-T579 HydrophobicContact CG2-CG2 4.4Å
535	G	85.8	Confident	88.5	Confident	4 Å²	4	71 Å²	71	4%	0.041	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	5	-173.3	0	0	0	0	0	114.2	R533 C553 N577	R533-G535 PolarHBondContact O-N 2.74Å; G535-C553 PolarHBondContact O-N 3.21Å; G535-N577 VanDerWaalsContact CA-O 3.27Å; G535-N577 WeakPolarHBondContact CA-O 3.06Å; G535-N577 PolarHBondContact N-O 3.37Å
536	Q	91.6	Very high	88.4	Confident	53 Å²	53	68.7 Å²	68.7	25%	0.248	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	146.2	175	-52.4	-177.1	-43.3	0	0	111.2	C532 R533 T534 C550 E551 Q559	C532-Q536 HydrophobicContact CB-CB 4.14Å; R533-Q536 HydrophobicContact CB-CG 4.41Å; R533-Q536 VanDerWaalsContact N-OE1 3.1Å; R533-Q536 VanDerWaalsContact O-CB 3.26Å; R533-Q536 WeakPolarHBondContact O-CB 3.42Å; R533-Q536 PolarHBondContact O-N 2.63Å; T534-Q536 VanDerWaalsContact C-N 3.31Å; Q536-C550 HydrophobicContact CB-CB 4.33Å; Q536-E551 CarbonylContact C-O 3.58Å; Q536-E551 WeakPolarHBondContact CA-O 3.15Å; Q536-E551 WeakPolarHBondContact CB-O 3.23Å; Q536-Q559 VanDerWaalsContact O-CD 3.27Å; Q536-Q559 PolarHBondContact O-NE2 2.76Å; Q536-Q559 VanDerWaalsContact O-NE2 3.13Å
537	R	90.8	Very high	88.2	Confident	79 Å²	79	69.1 Å²	69.1	30%	0.298	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	150	173.2	63.6	165.4	-165.4	157.6	-1.4	112.3	C550 E551 E562 F563	R537-C550 WeakPolarHBondContact O-CA 3.4Å; R537-E551 HydrophobicContact CG-CB 4.18Å; R537-E551 IonicContact CZ-OE2 3.56Å; R537-E551 PolarHBondContact N-O 2.88Å; R537-E551 IonicContact NE-OE2 2.86Å; R537-E551 PolarHBondContact NE-OE2 2.78Å; R537-E551 IonicContact NH2-OE2 3.57Å; R537-E551 PolarHBondContact NH2-OE2 3.18Å; R537-E551 PolarHBondContact O-N 2.99Å; R537-E562 CarbonylContact C-O 3.59Å; R537-E562 WeakPolarHBondContact CA-O 3.32Å; R537-F563 WeakPolarHBondContact CD-O 3.15Å
538	K	91.8	Very high	88.1	Confident	26 Å²	26	69.5 Å²	69.5	11%	0.113	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	120.2	168.4	-61.9	176.5	-174.2	172.1	0	109.7	W548 E562 F563	K538-W548 HydrophobicContact CB-CB 4.09Å; K538-W548 HydrophobicContact CB-CG 4.01Å; K538-W548 HydrophobicContact CD-CD2 4.12Å; K538-W548 HydrophobicContact CD-CG 4.36Å; K538-W548 HydrophobicContact CG-CD2 4.28Å; K538-W548 HydrophobicContact CG-CG 4.01Å; K538-E562 WeakPolarHBondContact CB-O 3.09Å; K538-E562 HydrophobicContact CD-CB 4.26Å; K538-E562 VanDerWaalsContact CE-OE1 3.23Å; K538-E562 WeakPolarHBondContact CE-OE1 3.37Å; K538-E562 PolarHBondContact N-O 3.12Å; K538-E562 IonicContact NZ-OE1 3.98Å; K538-E562 PolarHBondContact NZ-OE1 2.8Å; K538-E562 IonicContact NZ-OE2 2.75Å; K538-E562 PolarHBondContact NZ-OE2 2.04Å; K538-F563 HydrophobicContact CB-CD1 3.83Å; K538-F563 HydrophobicContact CB-CE1 3.76Å; K538-F563 HydrophobicContact CB-CZ 4.5Å; K538-F563 HydrophobicContact CD-CE1 4.08Å; K538-F563 HydrophobicContact CD-CZ 4.01Å; K538-F563 WeakPolarHBondContact O-CD1 3.39Å
539	K	90.8	Very high	88.1	Confident	97 Å²	97	74.6 Å²	74.6	42%	0.422	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	102.3	168.6	177.8	171.3	170.6	178.1	0	109	W548 H549 E551	K539-W548 CarbonylContact O-C 3.59Å; K539-W548 VanDerWaalsContact O-CA 3.28Å; K539-W548 WeakPolarHBondContact O-CA 3.03Å; K539-H549 PolarHBondContact N-O 2.04Å; K539-H549 PolarHBondContact O-N 3.03Å; K539-E551 HydrophobicContact CB-CG 4.4Å; K539-E551 HydrophobicContact CD-CG 4.1Å; K539-E551 WeakPolarHBondContact CD-OE1 3.43Å; K539-E551 VanDerWaalsContact CD-OE2 3.32Å; K539-E551 WeakPolarHBondContact CD-OE2 3.35Å; K539-E551 WeakPolarHBondContact CE-OE1 3.48Å; K539-E551 IonicContact NZ-OE1 2.97Å; K539-E551 PolarHBondContact NZ-OE1 3.15Å; K539-E551 IonicContact NZ-OE2 3.96Å
540	V	89.4	Confident	88.2	Confident	67 Å²	67	75.9 Å²	75.9	41%	0.406	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	137.6	-176.3	-177.4	0	0	0	0	111.2	C547 F563	V540-C547 WeakPolarHBondContact CA-O 3.03Å; V540-F563 HydrophobicContact CG2-CD1 4.38Å; V540-F563 HydrophobicContact CG2-CE1 3.92Å
541	V	87.8	Confident	88.4	Confident	47 Å²	47	72.7 Å²	72.7	29%	0.285	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	128.3	177.1	179.6	0	0	0	0	109.5	G543 V544 C547	V541-G543 PolarHBondContact O-N 3.48Å; V541-G543 VanDerWaalsContact O-N 3.12Å; V541-V544 PolarHBondContact O-N 2.67Å; V541-V544 VanDerWaalsContact O-N 3.13Å; V541-C547 HydrophobicContact CB-CB 4.03Å; V541-C547 HydrophobicContact CG2-CB 3.84Å; V541-C547 PolarHBondContact N-O 3.26Å
542	K	82.6	Confident	88.4	Confident	208 Å²	208	70.7 Å²	70.7	90%	0.904	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	119.1	179.5	-70	-172.1	177.3	-175.5	0	110.3
543	G	80	Confident	88.4	Confident	79 Å²	79	69.4 Å²	69.4	81%	0.814	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.1	-11.8	178.6	0	0	0	0	0	115.8	V541	V541-G543 PolarHBondContact O-N 3.48Å; V541-G543 VanDerWaalsContact O-N 3.12Å
544	V	83.3	Confident	88.2	Confident	48 Å²	48	66.9 Å²	66.9	29%	0.291	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	93.4	178.4	-166.2	0	0	0	0	110.2	Y228 C257 V541 C546 C547	Y228-V544 HydrophobicContact CE2-CG1 4.47Å; C257-V544 HydrophobicContact CB-CG1 4.19Å; V541-V544 PolarHBondContact O-N 2.67Å; V541-V544 VanDerWaalsContact O-N 3.13Å; V544-C546 VanDerWaalsContact C-N 3.32Å; V544-C546 PolarHBondContact O-N 3.28Å; V544-C547 HydrophobicContact CB-CB 4.31Å; V544-C547 HydrophobicContact CG1-CB 4.23Å; V544-C547 WeakPolarHBondContact CG1-SG 3.34Å; V544-C547 PolarHBondContact O-N 3.13Å; V544-C547 VanDerWaalsContact O-N 3.15Å
545	P	82.5	Confident	88.2	Confident	94 Å²	94	63.7 Å²	63.7	61%	0.61	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	-25.8	-166.4	24.2	-33	0	0	0	114.8	C547	P545-C547 PolarHBondContact O-N 2.7Å
546	C	87.9	Confident	88.4	Confident	14 Å²	14	64.6 Å²	64.6	10%	0.095	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-1.4	178.4	-37.9	0	0	0	0	113.6	C257 C528 V544 W548	C257-C546 HydrophobicContact CB-CB 3.65Å; C257-C546 WeakPolarHBondContact CB-SG 3.46Å; C257-C546 PolarHBondContact N-SG 3.23Å; C257-C546 VanDerWaalsContact N-SG 3.4Å; C257-C546 WeakPolarHBondContact SG-CB 3.26Å; C257-C546 PolarHBondContact SG-N 2.82Å; C257-C546 CovalentContact SG-SG 2.04Å; C257-C546 PolarHBondContact SG-SG 3.47Å; C528-C546 WeakPolarHBondContact CB-O 3.39Å; V544-C546 VanDerWaalsContact C-N 3.32Å; V544-C546 PolarHBondContact O-N 3.28Å; C546-W548 WeakPolarHBondContact O-CZ3 3.38Å
547	C	90.8	Very high	88.3	Confident	9 Å²	9	65.5 Å²	65.5	6%	0.061	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.5	179.3	-60	0	0	0	0	110.3	C528 V540 V541 V544 P545	C528-C547 HydrophobicContact CB-CB 3.98Å; C528-C547 WeakPolarHBondContact CB-SG 3.38Å; C528-C547 WeakPolarHBondContact SG-CB 3.06Å; C528-C547 CovalentContact SG-SG 2.03Å; C528-C547 PolarHBondContact SG-SG 3.45Å; V540-C547 WeakPolarHBondContact CA-O 3.03Å; V541-C547 HydrophobicContact CB-CB 4.03Å; V541-C547 HydrophobicContact CG2-CB 3.84Å; V541-C547 PolarHBondContact N-O 3.26Å; V544-C547 HydrophobicContact CB-CB 4.31Å; V544-C547 HydrophobicContact CG1-CB 4.23Å; V544-C547 WeakPolarHBondContact CG1-SG 3.34Å; V544-C547 PolarHBondContact O-N 3.13Å; V544-C547 VanDerWaalsContact O-N 3.15Å; P545-C547 PolarHBondContact O-N 2.7Å
548	W	91.4	Very high	88.3	Confident	39 Å²	39	64.1 Å²	64.1	15%	0.148	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	148.4	177	54.4	75.8	0	0	0	112.3	S529 L530 K538 K539 C546	S529-W548 WeakPolarHBondContact CB-O 3.05Å; S529-W548 VanDerWaalsContact O-CZ2 3.28Å; S529-W548 WeakPolarHBondContact O-CZ2 3.49Å; S529-W548 PolarHBondContact OG-N 3.24Å; S529-W548 PolarHBondContact OG-O 3.4Å; L530-W548 PolarHBondContact O-NE1 2.98Å; K538-W548 HydrophobicContact CB-CB 4.09Å; K538-W548 HydrophobicContact CB-CG 4.01Å; K538-W548 HydrophobicContact CD-CD2 4.12Å; K538-W548 HydrophobicContact CD-CG 4.36Å; K538-W548 HydrophobicContact CG-CD2 4.28Å; K538-W548 HydrophobicContact CG-CG 4.01Å; K539-W548 CarbonylContact O-C 3.59Å; K539-W548 VanDerWaalsContact O-CA 3.28Å; K539-W548 WeakPolarHBondContact O-CA 3.03Å; C546-W548 WeakPolarHBondContact O-CZ3 3.38Å
549	H	91.1	Very high	88.4	Confident	123 Å²	123	64.9 Å²	64.9	57%	0.569	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	142.2	166.1	-57.5	-48.3	0	0	0	109.8	K539	K539-H549 PolarHBondContact N-O 2.04Å; K539-H549 PolarHBondContact O-N 3.03Å
550	C	92.3	Very high	88.3	Confident	49 Å²	49	62.1 Å²	62.1	33%	0.331	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	107.5	177.1	-58.6	0	0	0	0	109.7	C532 Q536 R537	C532-C550 WeakPolarHBondContact CA-SG 3.46Å; C532-C550 HydrophobicContact CB-CB 3.71Å; C532-C550 WeakPolarHBondContact CB-SG 3.36Å; C532-C550 WeakPolarHBondContact SG-CA 3.28Å; C532-C550 WeakPolarHBondContact SG-CB 3.44Å; C532-C550 CovalentContact SG-SG 2.04Å; C532-C550 PolarHBondContact SG-SG 3.14Å; Q536-C550 HydrophobicContact CB-CB 4.33Å; R537-C550 WeakPolarHBondContact O-CA 3.4Å
551	E	90.9	Very high	88.2	Confident	62 Å²	62	61.1 Å²	61.1	29%	0.29	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	135.1	174.9	-69.2	-171.8	156.2	0	0	110.3	Q536 R537 K539	Q536-E551 CarbonylContact C-O 3.58Å; Q536-E551 WeakPolarHBondContact CA-O 3.15Å; Q536-E551 WeakPolarHBondContact CB-O 3.23Å; R537-E551 HydrophobicContact CG-CB 4.18Å; R537-E551 IonicContact CZ-OE2 3.56Å; R537-E551 PolarHBondContact N-O 2.88Å; R537-E551 IonicContact NE-OE2 2.86Å; R537-E551 PolarHBondContact NE-OE2 2.78Å; R537-E551 IonicContact NH2-OE2 3.57Å; R537-E551 PolarHBondContact NH2-OE2 3.18Å; R537-E551 PolarHBondContact O-N 2.99Å; K539-E551 HydrophobicContact CB-CG 4.4Å; K539-E551 HydrophobicContact CD-CG 4.1Å; K539-E551 WeakPolarHBondContact CD-OE1 3.43Å; K539-E551 VanDerWaalsContact CD-OE2 3.32Å; K539-E551 WeakPolarHBondContact CD-OE2 3.35Å; K539-E551 WeakPolarHBondContact CE-OE1 3.48Å; K539-E551 IonicContact NZ-OE1 2.97Å; K539-E551 PolarHBondContact NZ-OE1 3.15Å; K539-E551 IonicContact NZ-OE2 3.96Å
552	S	88.9	Confident	88.2	Confident	61 Å²	61	63.7 Å²	63.7	43%	0.427	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	142.2	172.3	-168.4	0	0	0	0	111	E554	S552-E554 PolarHBondContact O-N 3.12Å
553	C	89.3	Confident	88.5	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.007	33%	0.334	C	S	.	.			trans	-74.3	108	164.2	-60.7	0	0	0	0	108.8	G535 H557 C565 R578	G535-C553 PolarHBondContact O-N 3.21Å; C553-H557 HydrophobicContact CB-CB 4.19Å; C553-C565 WeakPolarHBondContact CA-SG 3.49Å; C553-C565 HydrophobicContact CB-CB 3.7Å; C553-C565 WeakPolarHBondContact CB-SG 3.48Å; C553-C565 WeakPolarHBondContact SG-CB 3.27Å; C553-C565 CovalentContact SG-SG 2.04Å; C553-C565 PolarHBondContact SG-SG 2.97Å; C553-R578 VanDerWaalsContact O-CD 3.25Å; C553-R578 WeakPolarHBondContact O-CD 3.39Å; C553-R578 PolarHBondContact O-NH1 3.32Å
554	E	86.9	Confident	89	Confident	148 Å²	148	57.7 Å²	57.7	69%	0.692	31%	0.313	S	S	*	.			trans	-94.8	161.5	-172.8	-67.8	-166.3	165.8	0	0	114.7	S552 Y556 H557	S552-E554 PolarHBondContact O-N 3.12Å; E554-Y556 PolarHBondContact O-N 3.05Å; E554-H557 WeakPolarHBondContact O-CB 3.45Å; E554-H557 PolarHBondContact O-N 2.7Å; E554-H557 PolarHBondContact O-ND1 3.39Å
555	G	86.6	Confident	89.4	Confident	29 Å²	29	57 Å²	57	30%	0.299	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	-133.8	-177.7	0	0	0	0	0	111.5	H557 R578 P745	G555-H557 PolarHBondContact O-N 2.69Å; G555-R578 PolarHBondContact O-NH1 3.29Å; G555-P745 WeakPolarHBondContact O-CG 3.34Å
556	Y	88.8	Confident	89.9	Confident	23 Å²	23	57 Å²	57	9%	0.09	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	13.8	179.8	-69.3	-97.5	0	0	0	114.1	E554 C568 R573 R741 T742 P745 A748	E554-Y556 PolarHBondContact O-N 3.05Å; Y556-C568 WeakPolarHBondContact O-CB 3.15Å; Y556-C568 PolarHBondContact O-N 3.14Å; Y556-R573 HydrophobicContact CD1-CB 4.24Å; Y556-R573 HydrophobicContact CE1-CB 4.18Å; Y556-R741 HydrophobicContact CE1-CG 4.3Å; Y556-R741 HydrophobicContact CE2-CG 4.12Å; Y556-R741 WeakPolarHBondContact OH-CG 3.4Å; Y556-T742 WeakPolarHBondContact CE2-O 3.35Å; Y556-T742 PolarHBondContact OH-O 3.3Å; Y556-P745 HydrophobicContact CD1-CB 3.93Å; Y556-P745 HydrophobicContact CD1-CG 4.18Å; Y556-P745 HydrophobicContact CD2-CG 4.13Å; Y556-P745 HydrophobicContact CE1-CB 3.71Å; Y556-P745 HydrophobicContact CE1-CG 4.23Å; Y556-P745 HydrophobicContact CE2-CB 4.41Å; Y556-P745 HydrophobicContact CE2-CG 4.15Å; Y556-P745 HydrophobicContact CG-CB 4.39Å; Y556-P745 HydrophobicContact CG-CG 4.13Å; Y556-A748 HydrophobicContact CE1-CB 4.35Å; Y556-A748 VanDerWaalsContact OH-CB 3.22Å; Y556-A748 WeakPolarHBondContact OH-CB 3.37Å
557	H	90.3	Very high	90.1	Very high	73 Å²	73	61.7 Å²	61.7	34%	0.338	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	142	177	-56.3	89.2	0	0	0	112.3	C553 E554 G555 C565 E566	C553-H557 HydrophobicContact CB-CB 4.19Å; E554-H557 WeakPolarHBondContact O-CB 3.45Å; E554-H557 PolarHBondContact O-N 2.7Å; E554-H557 PolarHBondContact O-ND1 3.39Å; G555-H557 PolarHBondContact O-N 2.69Å; H557-C565 HydrophobicContact CB-CB 4.05Å; H557-E566 CarbonylContact C-O 3.08Å; H557-E566 WeakPolarHBondContact CA-O 3.45Å; H557-E566 WeakPolarHBondContact CB-O 3.25Å
558	Y	92	Very high	90.1	Very high	50 Å²	50	61.4 Å²	61.4	20%	0.196	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	161.7	170.2	77.7	-75.7	0	0	0	110.2	A560 C565 E566 R578 C581	Y558-A560 HydrophobicContact CE2-CB 3.9Å; Y558-A560 PolarHBondContact O-N 2.73Å; Y558-C565 CarbonylContact O-C 3.41Å; Y558-C565 WeakPolarHBondContact O-CA 3.18Å; Y558-E566 HydrophobicContact CD1-CB 4.4Å; Y558-E566 WeakPolarHBondContact CD1-O 3.03Å; Y558-E566 HydrophobicContact CE1-CB 3.72Å; Y558-E566 PolarHBondContact N-O 3.24Å; Y558-E566 PolarHBondContact O-N 3.28Å; Y558-E566 PolarHBondContact OH-OE2 3.05Å; Y558-R578 CarbonylContact C-O 3.57Å; Y558-C581 WeakPolarHBondContact CD1-SG 3.41Å
559	Q	92.6	Very high	90.1	Very high	41 Å²	41	63.2 Å²	63.2	19%	0.192	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	99.7	176.6	-175.8	-174.3	-0.8	0	0	109.8	Q536 S561 R578	Q536-Q559 VanDerWaalsContact O-CD 3.27Å; Q536-Q559 PolarHBondContact O-NE2 2.76Å; Q536-Q559 VanDerWaalsContact O-NE2 3.13Å; Q559-S561 WeakPolarHBondContact CG-O 3.46Å; Q559-R578 WeakPolarHBondContact CB-O 3.45Å; Q559-R578 PolarHBondContact N-O 2.77Å
560	A	88.2	Confident	89.8	Confident	40 Å²	40	63.9 Å²	63.9	33%	0.331	34%	0.338	S	S	.	.	S	Bend	trans	-82.7	-28.3	176.5	0	0	0	0	0	112.6	Y558 T564 E566	Y558-A560 HydrophobicContact CE2-CB 3.9Å; Y558-A560 PolarHBondContact O-N 2.73Å; A560-T564 PolarHBondContact N-O 2.96Å; A560-T564 VanDerWaalsContact N-O 3.14Å; A560-E566 HydrophobicContact CB-CB 3.93Å; A560-E566 HydrophobicContact CB-CG 3.62Å; A560-E566 WeakPolarHBondContact CB-OE1 3.31Å
561	S	88.3	Confident	89.5	Confident	46 Å²	46	67.3 Å²	67.3	32%	0.322	35%	0.349	S	S	.	.	S	Bend	trans	-147.1	179.3	171.5	76	0	0	0	0	111.2	Q559 F563 T564	Q559-S561 WeakPolarHBondContact CG-O 3.46Å; S561-F563 PolarHBondContact O-N 2.95Å; S561-F563 PolarHBondContact OG-N 2.82Å; S561-F563 VanDerWaalsContact OG-N 3.12Å; S561-T564 WeakPolarHBondContact CB-OG1 3.41Å; S561-T564 PolarHBondContact N-O 2.81Å; S561-T564 PolarHBondContact OG-N 2.89Å; S561-T564 PolarHBondContact OG-OG1 3.13Å
562	E	86.6	Confident	89.4	Confident	100 Å²	100	67.7 Å²	67.7	47%	0.467	35%	0.352	S	S	.	.	S	Bend	trans	-60.3	-20.3	170.4	-66.7	-157.5	120.5	0	0	113.9	R537 K538	R537-E562 CarbonylContact C-O 3.59Å; R537-E562 WeakPolarHBondContact CA-O 3.32Å; K538-E562 WeakPolarHBondContact CB-O 3.09Å; K538-E562 HydrophobicContact CD-CB 4.26Å; K538-E562 VanDerWaalsContact CE-OE1 3.23Å; K538-E562 WeakPolarHBondContact CE-OE1 3.37Å; K538-E562 PolarHBondContact N-O 3.12Å; K538-E562 IonicContact NZ-OE1 3.98Å; K538-E562 PolarHBondContact NZ-OE1 2.8Å; K538-E562 IonicContact NZ-OE2 2.75Å; K538-E562 PolarHBondContact NZ-OE2 2.04Å
563	F	89.1	Confident	89.4	Confident	102 Å²	102	66.9 Å²	66.9	45%	0.447	34%	0.34	S	S	.	.	S	Bend	trans	-119.2	-15.6	-173.5	-61.3	-85.8	0	0	0	113.9	R537 K538 V540 S561	R537-F563 WeakPolarHBondContact CD-O 3.15Å; K538-F563 HydrophobicContact CB-CD1 3.83Å; K538-F563 HydrophobicContact CB-CE1 3.76Å; K538-F563 HydrophobicContact CB-CZ 4.5Å; K538-F563 HydrophobicContact CD-CE1 4.08Å; K538-F563 HydrophobicContact CD-CZ 4.01Å; K538-F563 WeakPolarHBondContact O-CD1 3.39Å; V540-F563 HydrophobicContact CG2-CD1 4.38Å; V540-F563 HydrophobicContact CG2-CE1 3.92Å; S561-F563 PolarHBondContact O-N 2.95Å; S561-F563 PolarHBondContact OG-N 2.82Å; S561-F563 VanDerWaalsContact OG-N 3.12Å
564	T	90.8	Very high	89.6	Confident	59 Å²	59	67 Å²	67	36%	0.362	34%	0.341	S	S	.	.			trans	-121.6	135.1	-176.3	58.4	0	0	0	0	112.4	A560 S561	A560-T564 PolarHBondContact N-O 2.96Å; A560-T564 VanDerWaalsContact N-O 3.14Å; S561-T564 WeakPolarHBondContact CB-OG1 3.41Å; S561-T564 PolarHBondContact N-O 2.81Å; S561-T564 PolarHBondContact OG-N 2.89Å; S561-T564 PolarHBondContact OG-OG1 3.13Å
565	C	92.8	Very high	89.7	Confident	33 Å²	33	61.5 Å²	61.5	22%	0.223	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	137.1	161.9	-57.9	0	0	0	0	107.9	C553 H557 Y558	C553-C565 WeakPolarHBondContact CA-SG 3.49Å; C553-C565 HydrophobicContact CB-CB 3.7Å; C553-C565 WeakPolarHBondContact CB-SG 3.48Å; C553-C565 WeakPolarHBondContact SG-CB 3.27Å; C553-C565 CovalentContact SG-SG 2.04Å; C553-C565 PolarHBondContact SG-SG 2.97Å; H557-C565 HydrophobicContact CB-CB 4.05Å; Y558-C565 CarbonylContact O-C 3.41Å; Y558-C565 WeakPolarHBondContact O-CA 3.18Å
566	E	92.3	Very high	89.7	Confident	95 Å²	95	65.5 Å²	65.5	44%	0.444	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	152.7	179.9	-71.4	176.6	-165.4	0	0	110.9	H557 Y558 A560	H557-E566 CarbonylContact C-O 3.08Å; H557-E566 WeakPolarHBondContact CA-O 3.45Å; H557-E566 WeakPolarHBondContact CB-O 3.25Å; Y558-E566 HydrophobicContact CD1-CB 4.4Å; Y558-E566 WeakPolarHBondContact CD1-O 3.03Å; Y558-E566 HydrophobicContact CE1-CB 3.72Å; Y558-E566 PolarHBondContact N-O 3.24Å; Y558-E566 PolarHBondContact O-N 3.28Å; Y558-E566 PolarHBondContact OH-OE2 3.05Å; A560-E566 HydrophobicContact CB-CB 3.93Å; A560-E566 HydrophobicContact CB-CG 3.62Å; A560-E566 WeakPolarHBondContact CB-OE1 3.31Å
567	L	92.3	Very high	89.6	Confident	112 Å²	112	68.6 Å²	68.6	59%	0.586	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	128.8	-175.7	-172.5	70.9	0	0	0	110.5
568	C	90.2	Very high	89.4	Confident	4 Å²	4	68 Å²	68	3%	0.027	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-62.3	148.5	172.9	-74.8	0	0	0	0	112.1	Y556 M572 C581	Y556-C568 WeakPolarHBondContact O-CB 3.15Å; Y556-C568 PolarHBondContact O-N 3.14Å; C568-M572 HydrophobicContact CB-CB 4.38Å; C568-C581 WeakPolarHBondContact CA-SG 3.29Å; C568-C581 HydrophobicContact CB-CB 3.9Å; C568-C581 WeakPolarHBondContact CB-SG 3.42Å; C568-C581 WeakPolarHBondContact SG-CB 3.09Å; C568-C581 CovalentContact SG-SG 2.04Å; C568-C581 PolarHBondContact SG-SG 3.03Å
569	P	91.2	Very high	89.3	Confident	76 Å²	76	69.1 Å²	69.1	49%	0.494	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-51.8	154.8	171.9	-27.2	35.2	0	0	0	113	E571 M572	P569-E571 VanDerWaalsContact C-N 3.3Å; P569-E571 PolarHBondContact O-N 3.3Å; P569-M572 HydrophobicContact CB-CB 4.43Å; P569-M572 HydrophobicContact CB-CG 4.42Å; P569-M572 HydrophobicContact CG-SD 4.28Å; P569-M572 CarbonylContact O-C 3.35Å; P569-M572 WeakPolarHBondContact O-CA 3.31Å; P569-M572 PolarHBondContact O-N 2.89Å; P569-M572 VanDerWaalsContact O-O 3.06Å
570	Y	85.7	Confident	89.1	Confident	138 Å²	138	68.1 Å²	68.1	54%	0.541	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-39	-172.3	-171.7	-105.4	0	0	0	113.7	M572 G738 R741	Y570-M572 PolarHBondContact O-N 2.89Å; Y570-G738 VanDerWaalsContact OH-CA 3.3Å; Y570-G738 WeakPolarHBondContact OH-CA 3.18Å; Y570-R741 PolarHBondContact O-NH1 3.49Å; Y570-R741 PolarHBondContact O-NH2 3.12Å
571	E	85.9	Confident	89.4	Confident	121 Å²	121	68.2 Å²	68.2	57%	0.565	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-2	178.6	-56.7	175.3	-154.3	0	0	113.4	P569 I584 Y737	P569-E571 VanDerWaalsContact C-N 3.3Å; P569-E571 PolarHBondContact O-N 3.3Å; E571-I584 PolarHBondContact O-N 2.9Å; E571-Y737 HydrophobicContact CB-CD2 4.49Å; E571-Y737 HydrophobicContact CB-CE2 4.06Å; E571-Y737 HydrophobicContact CG-CD2 4.04Å; E571-Y737 HydrophobicContact CG-CE2 3.71Å
572	M	89.1	Confident	89.6	Confident	69 Å²	69	68.6 Å²	68.6	34%	0.34	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	165	-173.5	-61.8	-170.3	178.3	0	0	112.9	C568 P569 Y570 C581 V582 R741	C568-M572 HydrophobicContact CB-CB 4.38Å; P569-M572 HydrophobicContact CB-CB 4.43Å; P569-M572 HydrophobicContact CB-CG 4.42Å; P569-M572 HydrophobicContact CG-SD 4.28Å; P569-M572 CarbonylContact O-C 3.35Å; P569-M572 WeakPolarHBondContact O-CA 3.31Å; P569-M572 PolarHBondContact O-N 2.89Å; P569-M572 VanDerWaalsContact O-O 3.06Å; Y570-M572 PolarHBondContact O-N 2.89Å; M572-C581 HydrophobicContact CB-CB 4.06Å; M572-C581 HydrophobicContact SD-CB 3.94Å; M572-V582 VanDerWaalsContact CA-O 3.31Å; M572-V582 WeakPolarHBondContact CA-O 3.39Å; M572-V582 WeakPolarHBondContact CB-O 3.48Å; M572-R741 PolarHBondContact O-NH2 2.04Å
573	R	89.1	Confident	89.7	Confident	45 Å²	45	68.2 Å²	68.2	17%	0.17	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	155.6	176.9	56.9	175	-172.8	152.1	9.2	109.1	Y556 C581 V582 I584 P745 M746	Y556-R573 HydrophobicContact CD1-CB 4.24Å; Y556-R573 HydrophobicContact CE1-CB 4.18Å; R573-C581 CarbonylContact O-C 3.52Å; R573-C581 WeakPolarHBondContact O-CA 3.32Å; R573-V582 HydrophobicContact CG-CG2 3.92Å; R573-V582 WeakPolarHBondContact CG-O 3.42Å; R573-V582 PolarHBondContact N-O 3.25Å; R573-V582 PolarHBondContact O-N 2.88Å; R573-V582 VanDerWaalsContact O-O 3.12Å; R573-I584 HydrophobicContact CB-CG1 4.05Å; R573-I584 HydrophobicContact CG-CG1 4.02Å; R573-P745 HydrophobicContact CB-CB 3.96Å; R573-P745 WeakPolarHBondContact CD-O 3.44Å; R573-P745 PolarHBondContact NH1-O 3Å; R573-M746 PolarHBondContact NH1-O 3.38Å
574	P	92	Very high	89.7	Confident	4 Å²	4	63.7 Å²	63.7	3%	0.026	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	153.4	174.5	24.8	-34.2	0	0	0	111.9	R578 G580 P745	P574-R578 HydrophobicContact CB-CG 4.27Å; P574-G580 VanDerWaalsContact CA-O 3.31Å; P574-G580 WeakPolarHBondContact CA-O 3.17Å; P574-P745 HydrophobicContact CG-CB 4.14Å; P574-P745 HydrophobicContact CG-CG 4.09Å
575	D	89.3	Confident	89.5	Confident	31 Å²	31	63.7 Å²	63.7	17%	0.166	35%	0.346	C	S	.	.			trans	-72.9	175.2	168.8	76.8	-71.4	0	0	0	112.2	N577 R578 T579 G580 V582	D575-N577 VanDerWaalsContact C-N 3.27Å; D575-N577 PolarHBondContact O-N 3.41Å; D575-N577 WeakPolarHBondContact OD2-CA 3.13Å; D575-N577 WeakPolarHBondContact OD2-CB 3.06Å; D575-N577 PolarHBondContact OD2-N 3.37Å; D575-R578 PolarHBondContact O-N 2.9Å; D575-R578 WeakPolarHBondContact OD1-CA 3.38Å; D575-R578 PolarHBondContact OD1-N 3.42Å; D575-R578 PolarHBondContact OD2-N 2.8Å; D575-T579 PolarHBondContact OD1-N 2.71Å; D575-T579 PolarHBondContact OD1-OG1 2.84Å; D575-T579 PolarHBondContact OD2-OG1 2.6Å; D575-G580 PolarHBondContact N-O 3.44Å; D575-G580 PolarHBondContact OD1-N 2.61Å; D575-G580 VanDerWaalsContact OD1-O 3.06Å; D575-V582 HydrophobicContact CB-CG1 4.22Å
576	T	86.1	Confident	89.1	Confident	113 Å²	113	66.4 Å²	66.4	69%	0.693	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.6	-178	50.4	0	0	0	0	114	M746	T576-M746 HydrophobicContact CG2-CE 4Å
577	N	87.2	Confident	88.7	Confident	89 Å²	89	63.7 Å²	63.7	48%	0.476	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-3.4	178.3	-56.5	-14.6	0	0	0	111.9	T534 G535 D575 T579	T534-N577 CarbonylContact C-O 3.52Å; G535-N577 VanDerWaalsContact CA-O 3.27Å; G535-N577 WeakPolarHBondContact CA-O 3.06Å; G535-N577 PolarHBondContact N-O 3.37Å; D575-N577 VanDerWaalsContact C-N 3.27Å; D575-N577 PolarHBondContact O-N 3.41Å; D575-N577 WeakPolarHBondContact OD2-CA 3.13Å; D575-N577 WeakPolarHBondContact OD2-CB 3.06Å; D575-N577 PolarHBondContact OD2-N 3.37Å; N577-T579 HydrophobicContact CB-CG2 4.16Å; N577-T579 PolarHBondContact O-N 3.32Å
578	R	87.3	Confident	88.2	Confident	60 Å²	60	62.9 Å²	62.9	23%	0.226	34%	0.337	C	S	.	.	S	Bend	trans	52.2	38.6	-175.6	-55.9	176.9	172.9	-92.5	-12.5	112.7	C553 G555 Y558 Q559 P574 D575	C553-R578 VanDerWaalsContact O-CD 3.25Å; C553-R578 WeakPolarHBondContact O-CD 3.39Å; C553-R578 PolarHBondContact O-NH1 3.32Å; G555-R578 PolarHBondContact O-NH1 3.29Å; Y558-R578 CarbonylContact C-O 3.57Å; Q559-R578 WeakPolarHBondContact CB-O 3.45Å; Q559-R578 PolarHBondContact N-O 2.77Å; P574-R578 HydrophobicContact CB-CG 4.27Å; D575-R578 PolarHBondContact O-N 2.9Å; D575-R578 WeakPolarHBondContact OD1-CA 3.38Å; D575-R578 PolarHBondContact OD1-N 3.42Å; D575-R578 PolarHBondContact OD2-N 2.8Å
579	T	89.1	Confident	87.7	Confident	73 Å²	73	63.4 Å²	63.4	45%	0.448	34%	0.34	S	S	.	.	S	Bend	trans	-98.1	-11.3	175.2	50.6	0	0	0	0	113.9	T534 D575 N577	T534-T579 HydrophobicContact CG2-CG2 4.4Å; D575-T579 PolarHBondContact OD1-N 2.71Å; D575-T579 PolarHBondContact OD1-OG1 2.84Å; D575-T579 PolarHBondContact OD2-OG1 2.6Å; N577-T579 HydrophobicContact CB-CG2 4.16Å; N577-T579 PolarHBondContact O-N 3.32Å
580	G	89.6	Confident	87.3	Confident	21 Å²	21	64.7 Å²	64.7	22%	0.216	34%	0.339	C	S	.	.	S	Bend	trans	-166.7	-168.2	178.1	0	0	0	0	0	112.2	P574 D575	P574-G580 VanDerWaalsContact CA-O 3.31Å; P574-G580 WeakPolarHBondContact CA-O 3.17Å; D575-G580 PolarHBondContact N-O 3.44Å; D575-G580 PolarHBondContact OD1-N 2.61Å; D575-G580 VanDerWaalsContact OD1-O 3.06Å
581	C	92.5	Very high	87.3	Confident	42 Å²	42	63.6 Å²	63.6	28%	0.284	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	139.9	-177.9	-56.1	0	0	0	0	111.5	Y558 C568 M572 R573	Y558-C581 WeakPolarHBondContact CD1-SG 3.41Å; C568-C581 WeakPolarHBondContact CA-SG 3.29Å; C568-C581 HydrophobicContact CB-CB 3.9Å; C568-C581 WeakPolarHBondContact CB-SG 3.42Å; C568-C581 WeakPolarHBondContact SG-CB 3.09Å; C568-C581 CovalentContact SG-SG 2.04Å; C568-C581 PolarHBondContact SG-SG 3.03Å; M572-C581 HydrophobicContact CB-CB 4.06Å; M572-C581 HydrophobicContact SD-CB 3.94Å; R573-C581 CarbonylContact O-C 3.52Å; R573-C581 WeakPolarHBondContact O-CA 3.32Å
582	V	92.5	Very high	87.2	Confident	54 Å²	54	66 Å²	66	33%	0.327	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	151	176.6	-65.4	0	0	0	0	110	M572 R573 D575	M572-V582 VanDerWaalsContact CA-O 3.31Å; M572-V582 WeakPolarHBondContact CA-O 3.39Å; M572-V582 WeakPolarHBondContact CB-O 3.48Å; R573-V582 HydrophobicContact CG-CG2 3.92Å; R573-V582 WeakPolarHBondContact CG-O 3.42Å; R573-V582 PolarHBondContact N-O 3.25Å; R573-V582 PolarHBondContact O-N 2.88Å; R573-V582 VanDerWaalsContact O-O 3.12Å; D575-V582 HydrophobicContact CB-CG1 4.22Å
583	P	89.7	Confident	87.1	Confident	92 Å²	92	63.9 Å²	63.9	60%	0.597	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	147.3	178.8	24.5	-34.1	0	0	0	112.5
584	I	88.7	Confident	86.9	Confident	6 Å²	6	66.4 Å²	66.4	3%	0.031	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-72.9	131.7	173.4	-68.6	172.3	0	0	0	109	E571 R573 I586 Y737 R749	E571-I584 PolarHBondContact O-N 2.9Å; R573-I584 HydrophobicContact CB-CG1 4.05Å; R573-I584 HydrophobicContact CG-CG1 4.02Å; I584-I586 PolarHBondContact O-N 2.8Å; I584-Y737 HydrophobicContact CB-CD1 4Å; I584-Y737 HydrophobicContact CB-CE1 4.01Å; I584-Y737 HydrophobicContact CD1-CD1 4.34Å; I584-Y737 HydrophobicContact CG2-CD1 3.96Å; I584-Y737 HydrophobicContact CG2-CE1 4.25Å; I584-R749 VanDerWaalsContact CG2-C 3.46Å
585	P	86.7	Confident	86.7	Confident	60 Å²	60	70.8 Å²	70.8	39%	0.39	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-65.9	132.7	-180	26.8	-34.7	0	0	0	111.6	R749 G750	P585-R749 WeakPolarHBondContact O-CA 3.32Å; P585-G750 PolarHBondContact O-N 3.2Å
586	I	85.4	Confident	86.6	Confident	89 Å²	89	69.3 Å²	69.3	46%	0.456	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	129.2	179.6	-56.6	174.3	0	0	0	109.7	I584 V735 Y737 G750 L752	I584-I586 PolarHBondContact O-N 2.8Å; I586-V735 HydrophobicContact CD1-CG1 4.07Å; I586-V735 HydrophobicContact CD1-CG2 4.07Å; I586-V735 HydrophobicContact CG1-CG1 4.03Å; I586-V735 HydrophobicContact CG2-CG1 4.27Å; I586-Y737 HydrophobicContact CG1-CE1 4.5Å; I586-G750 CarbonylContact C-O 3.59Å; I586-G750 WeakPolarHBondContact CA-O 3.37Å; I586-L752 HydrophobicContact CG2-CB 3.78Å
587	I	83.3	Confident	86.8	Confident	38 Å²	38	67.4 Å²	67.4	20%	0.195	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	159	171.4	65.3	163.5	0	0	0	112.1	R749 G750 V751 L752	I587-R749 HydrophobicContact CG1-CB 4.46Å; I587-R749 HydrophobicContact CG2-CB 4.37Å; I587-R749 HydrophobicContact CG2-CG 4.16Å; I587-G750 PolarHBondContact N-O 3.45Å; I587-V751 HydrophobicContact CD1-CG2 4.39Å; I587-V751 HydrophobicContact CG1-CG2 4.28Å; I587-L752 PolarHBondContact O-N 3.21Å; I587-L752 VanDerWaalsContact O-N 3.12Å
588	K	82.4	Confident	86.9	Confident	96 Å²	96	67 Å²	67	42%	0.417	36%	0.356	S	S	.	.			trans	-143.5	162.5	-178.7	64.6	-163.6	177.9	-173.1	0	109.3	E590 T654	K588-E590 HydrophobicContact CG-CG 4.19Å; K588-E590 PolarHBondContact O-N 2.97Å; K588-T654 HydrophobicContact CD-CG2 4.28Å
589	L	79.4	Confident	87.1	Confident	15 Å²	15	64.1 Å²	64.1	8%	0.079	35%	0.345	C	S	.	.			trans	-69.5	124.2	167.7	-177.4	59.8	0	0	0	109.2	A596 I652 Y824 T827	L589-A596 HydrophobicContact CD1-CB 4.31Å; L589-A596 HydrophobicContact CG-CB 4.49Å; L589-I652 HydrophobicContact CD2-CB 4.41Å; L589-I652 HydrophobicContact CD2-CG1 4.2Å; L589-I652 HydrophobicContact CD2-CG2 4.26Å; L589-Y824 HydrophobicContact CD1-CD1 3.6Å; L589-Y824 HydrophobicContact CD1-CE1 3.73Å; L589-T827 HydrophobicContact CD2-CG2 4.32Å
590	E	83.2	Confident	87.2	Confident	103 Å²	103	62 Å²	62	48%	0.481	33%	0.333	S	S	.	.			trans	-105.5	141.6	178.2	-59.2	-157.3	148.6	0	0	111.4	K588 H592 S593	K588-E590 HydrophobicContact CG-CG 4.19Å; K588-E590 PolarHBondContact O-N 2.97Å; E590-H592 PolarHBondContact O-N 3.3Å; E590-H592 VanDerWaalsContact O-N 3.1Å; E590-S593 WeakPolarHBondContact O-CB 3.49Å; E590-S593 PolarHBondContact O-N 2.96Å
591	W	85.1	Confident	87.4	Confident	115 Å²	115	67.5 Å²	67.5	44%	0.436	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-24.9	-178.2	-63.9	97.6	0	0	0	114.4	S593 V597 V600 F649 I652 A653	W591-S593 VanDerWaalsContact C-N 3.34Å; W591-V597 WeakPolarHBondContact O-CG2 3.4Å; W591-V600 HydrophobicContact CE3-CG2 4.27Å; W591-V600 HydrophobicContact CZ3-CG2 4.01Å; W591-F649 HydrophobicContact CH2-CB 4.45Å; W591-F649 HydrophobicContact CH2-CD1 4.31Å; W591-F649 HydrophobicContact CZ3-CD1 4.12Å; W591-I652 HydrophobicContact CD2-CG2 4Å; W591-I652 HydrophobicContact CE3-CG2 3.53Å; W591-I652 HydrophobicContact CH2-CB 4.29Å; W591-I652 HydrophobicContact CH2-CG2 4.05Å; W591-I652 HydrophobicContact CZ2-CG2 4.47Å; W591-I652 HydrophobicContact CZ3-CB 4.05Å; W591-I652 HydrophobicContact CZ3-CG2 3.55Å; W591-A653 HydrophobicContact CZ2-CB 4.11Å
592	H	84.1	Confident	87.4	Confident	170 Å²	170	67.7 Å²	67.7	79%	0.787	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-8.5	177	-53.5	114.2	0	0	0	113.7	E590	E590-H592 PolarHBondContact O-N 3.3Å; E590-H592 VanDerWaalsContact O-N 3.1Å
593	S	86.2	Confident	87.5	Confident	25 Å²	25	65.1 Å²	65.1	18%	0.175	33%	0.333	C	S	.	.	S	Bend	trans	-66	135.8	177.9	-173.6	0	0	0	0	110.5	E590 W591 W595 A596 V597	E590-S593 WeakPolarHBondContact O-CB 3.49Å; E590-S593 PolarHBondContact O-N 2.96Å; W591-S593 VanDerWaalsContact C-N 3.34Å; S593-W595 PolarHBondContact O-N 3.41Å; S593-W595 VanDerWaalsContact O-N 3.11Å; S593-A596 WeakPolarHBondContact O-CA 3.22Å; S593-A596 WeakPolarHBondContact O-CB 3.37Å; S593-A596 PolarHBondContact O-N 3.1Å; S593-V597 WeakPolarHBondContact O-CG2 3.18Å; S593-V597 PolarHBondContact O-N 2.82Å
594	P	85.4	Confident	87.7	Confident	99 Å²	99	65.1 Å²	65.1	64%	0.643	33%	0.326	S	S	*	.	H	α-helix	trans	-52.9	-35.3	176.6	-28.3	35.8	0	0	0	113.4	A596 V597 V598	P594-A596 VanDerWaalsContact C-N 3.29Å; P594-A596 PolarHBondContact O-N 2.67Å; P594-V597 PolarHBondContact O-N 3.21Å; P594-V598 PolarHBondContact O-N 2.93Å
595	W	86.7	Confident	88	Confident	95 Å²	95	69.3 Å²	69.3	36%	0.36	35%	0.348	S	S	.	.	H	α-helix	trans	-59.4	-34.2	174	-60.9	119.2	0	0	0	113.4	S593 P599 Y824 I825 T828	S593-W595 PolarHBondContact O-N 3.41Å; S593-W595 VanDerWaalsContact O-N 3.11Å; W595-P599 WeakPolarHBondContact O-CD 3.34Å; W595-P599 WeakPolarHBondContact O-CG 3.22Å; W595-Y824 HydrophobicContact CB-CD1 4.46Å; W595-Y824 AromaticContact CD1-CD1 3.85Å; W595-Y824 HydrophobicContact CG-CD1 4.37Å; W595-I825 HydrophobicContact CH2-CG1 4.21Å; W595-I825 HydrophobicContact CZ2-CG1 4.48Å; W595-I825 HydrophobicContact CZ3-CG1 4.49Å; W595-T828 HydrophobicContact CE3-CG2 4.21Å; W595-T828 PolarHBondContact O-OG1 3.26Å
596	A	88.1	Confident	88.4	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-87.5	-36.4	178	0	0	0	0	0	113.1	L589 S593 P594 P599 V600 I652	L589-A596 HydrophobicContact CD1-CB 4.31Å; L589-A596 HydrophobicContact CG-CB 4.49Å; S593-A596 WeakPolarHBondContact O-CA 3.22Å; S593-A596 WeakPolarHBondContact O-CB 3.37Å; S593-A596 PolarHBondContact O-N 3.1Å; P594-A596 VanDerWaalsContact C-N 3.29Å; P594-A596 PolarHBondContact O-N 2.67Å; A596-P599 WeakPolarHBondContact O-CD 3.46Å; A596-V600 VanDerWaalsContact O-CG2 3.29Å; A596-V600 WeakPolarHBondContact O-CG2 3.43Å; A596-V600 PolarHBondContact O-N 3.44Å; A596-I652 HydrophobicContact CB-CD1 4.37Å; A596-I652 HydrophobicContact CB-CG2 3.79Å
597	V	89.5	Confident	88.8	Confident	73 Å²	73	64 Å²	64	44%	0.442	32%	0.318	S	S	.	.	H	α-helix	trans	-63.9	-43.8	-175.4	172.3	0	0	0	0	112.2	W591 S593 P594 V600 F601	W591-V597 WeakPolarHBondContact O-CG2 3.4Å; S593-V597 WeakPolarHBondContact O-CG2 3.18Å; S593-V597 PolarHBondContact O-N 2.82Å; P594-V597 PolarHBondContact O-N 3.21Å; V597-V600 PolarHBondContact O-N 2.9Å; V597-F601 PolarHBondContact O-N 3.13Å
598	V	89.8	Confident	89.4	Confident	80 Å²	80	67.2 Å²	67.2	49%	0.485	33%	0.334	S	S	.	.	H	α-helix	trans	-65.6	-49.2	-175	175.2	0	0	0	0	112.9	P594 V600 F601 I602	P594-V598 PolarHBondContact O-N 2.93Å; V598-V600 PolarHBondContact O-N 3.31Å; V598-F601 PolarHBondContact O-N 2.7Å; V598-I602 HydrophobicContact CG1-CD1 4.11Å; V598-I602 WeakPolarHBondContact O-CG1 3.46Å; V598-I602 PolarHBondContact O-N 3.12Å
599	P	91.1	Very high	89.9	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.5	-41.1	174.1	-22.4	31.7	0	0	0	113.4	W595 A596 F601 I602 S603 T648 I652 T828 I832	W595-P599 WeakPolarHBondContact O-CD 3.34Å; W595-P599 WeakPolarHBondContact O-CG 3.22Å; A596-P599 WeakPolarHBondContact O-CD 3.46Å; P599-F601 PolarHBondContact O-N 3.45Å; P599-I602 PolarHBondContact O-N 3.1Å; P599-S603 WeakPolarHBondContact O-CB 3.48Å; P599-S603 PolarHBondContact O-N 2.83Å; P599-T648 HydrophobicContact CB-CG2 3.66Å; P599-I652 HydrophobicContact CB-CD1 4.11Å; P599-I652 HydrophobicContact CG-CD1 4.46Å; P599-T828 HydrophobicContact CG-CG2 3.91Å; P599-I832 HydrophobicContact CB-CG1 4.42Å; P599-I832 HydrophobicContact CG-CD1 4.36Å; P599-I832 HydrophobicContact CG-CG1 4.03Å
600	V	92.6	Very high	90.6	Very high	30 Å²	30	63.2 Å²	63.2	18%	0.182	32%	0.321	C	S	.	.	H	α-helix	trans	-61.4	-43.8	179.1	167.8	0	0	0	0	111.3	W591 A596 V597 V598 S603 M604 F649 I652	W591-V600 HydrophobicContact CE3-CG2 4.27Å; W591-V600 HydrophobicContact CZ3-CG2 4.01Å; A596-V600 VanDerWaalsContact O-CG2 3.29Å; A596-V600 WeakPolarHBondContact O-CG2 3.43Å; A596-V600 PolarHBondContact O-N 3.44Å; V597-V600 PolarHBondContact O-N 2.9Å; V598-V600 PolarHBondContact O-N 3.31Å; V600-S603 PolarHBondContact O-N 3.38Å; V600-M604 HydrophobicContact CG1-CG 4.4Å; V600-M604 WeakPolarHBondContact O-CG 3.43Å; V600-M604 PolarHBondContact O-N 3.24Å; V600-F649 HydrophobicContact CG1-CE1 3.85Å; V600-F649 HydrophobicContact CG1-CZ 4.3Å; V600-F649 HydrophobicContact CG2-CE1 4.43Å; V600-I652 HydrophobicContact CG2-CD1 3.71Å
601	F	93.2	Very high	91	Very high	135 Å²	135	60.6 Å²	60.6	59%	0.592	31%	0.314	S	S	*	.	H	α-helix	trans	-61.8	-45.7	178	-178.3	-105.2	0	0	0	112.3	V597 V598 P599 S603 M604 L605	V597-F601 PolarHBondContact O-N 3.13Å; V598-F601 PolarHBondContact O-N 2.7Å; P599-F601 PolarHBondContact O-N 3.45Å; F601-S603 VanDerWaalsContact C-N 3.33Å; F601-S603 PolarHBondContact O-N 2.7Å; F601-M604 PolarHBondContact O-N 3.12Å; F601-L605 HydrophobicContact CD1-CD1 4.11Å; F601-L605 HydrophobicContact CE1-CD1 3.58Å; F601-L605 HydrophobicContact CE2-CD1 4.46Å; F601-L605 HydrophobicContact CZ-CD1 3.78Å; F601-L605 HydrophobicContact CZ-CG 4.42Å; F601-L605 WeakPolarHBondContact O-CG 3.41Å; F601-L605 PolarHBondContact O-N 3.03Å
602	I	92.9	Very high	91.4	Very high	47 Å²	47	60.3 Å²	60.3	24%	0.241	32%	0.316	C	S	.	.	H	α-helix	trans	-62.4	-42.2	176.6	-62.9	168.3	0	0	0	110.6	V598 P599 G606	V598-I602 HydrophobicContact CG1-CD1 4.11Å; V598-I602 WeakPolarHBondContact O-CG1 3.46Å; V598-I602 PolarHBondContact O-N 3.12Å; P599-I602 PolarHBondContact O-N 3.1Å; I602-G606 PolarHBondContact O-N 3.4Å
603	S	94.3	Very high	91.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.3	-43.1	178.4	-179.4	0	0	0	0	112.7	P599 V600 F601 L605 G606 I607 Y645 F649	P599-S603 WeakPolarHBondContact O-CB 3.48Å; P599-S603 PolarHBondContact O-N 2.83Å; V600-S603 PolarHBondContact O-N 3.38Å; F601-S603 VanDerWaalsContact C-N 3.33Å; F601-S603 PolarHBondContact O-N 2.7Å; S603-L605 PolarHBondContact O-N 3.47Å; S603-G606 PolarHBondContact O-N 3.01Å; S603-G606 VanDerWaalsContact O-N 3.17Å; S603-I607 WeakPolarHBondContact O-CG1 3.29Å; S603-I607 PolarHBondContact O-N 3.01Å; S603-Y645 VanDerWaalsContact OG-C 3.27Å; S603-Y645 PolarHBondContact OG-O 3.31Å; S603-F649 VanDerWaalsContact OG-CE2 3.31Å; S603-F649 WeakPolarHBondContact OG-CE2 3.35Å
604	M	94.7	Very high	92	Very high	91 Å²	91	53.2 Å²	53.2	45%	0.448	28%	0.281	S	S	.	.	H	α-helix	trans	-58.8	-47.1	175.7	-77.1	-62.1	-68.2	0	0	112.2	V600 F601 G606 I607 I608 F649	V600-M604 HydrophobicContact CG1-CG 4.4Å; V600-M604 WeakPolarHBondContact O-CG 3.43Å; V600-M604 PolarHBondContact O-N 3.24Å; F601-M604 PolarHBondContact O-N 3.12Å; M604-G606 VanDerWaalsContact C-N 3.32Å; M604-G606 PolarHBondContact O-N 3.34Å; M604-I607 PolarHBondContact O-N 3.44Å; M604-I608 WeakPolarHBondContact O-CD1 3.48Å; M604-I608 VanDerWaalsContact O-CG1 3.29Å; M604-I608 WeakPolarHBondContact O-CG1 3.49Å; M604-I608 PolarHBondContact O-N 2.85Å; M604-F649 HydrophobicContact CG-CZ 3.94Å; M604-F649 HydrophobicContact SD-CE1 4.3Å; M604-F649 HydrophobicContact SD-CZ 3.66Å
605	L	94.7	Very high	92.2	Very high	94 Å²	94	53.1 Å²	53.1	49%	0.492	28%	0.279	S	S	.	.	H	α-helix	trans	-61.6	-41.5	175.2	-68.2	176.7	0	0	0	111.6	F601 S603 I608 A609	F601-L605 HydrophobicContact CD1-CD1 4.11Å; F601-L605 HydrophobicContact CE1-CD1 3.58Å; F601-L605 HydrophobicContact CE2-CD1 4.46Å; F601-L605 HydrophobicContact CZ-CD1 3.78Å; F601-L605 HydrophobicContact CZ-CG 4.42Å; F601-L605 WeakPolarHBondContact O-CG 3.41Å; F601-L605 PolarHBondContact O-N 3.03Å; S603-L605 PolarHBondContact O-N 3.47Å; L605-I608 PolarHBondContact O-N 3.39Å; L605-A609 VanDerWaalsContact O-CB 3.28Å; L605-A609 WeakPolarHBondContact O-CB 3.48Å; L605-A609 PolarHBondContact O-N 3.4Å
606	G	93.8	Very high	92.3	Very high	4 Å²	4	49 Å²	49	4%	0.041	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-44.1	176	0	0	0	0	0	113.8	I602 S603 M604 T610 Y645	I602-G606 PolarHBondContact O-N 3.4Å; S603-G606 PolarHBondContact O-N 3.01Å; S603-G606 VanDerWaalsContact O-N 3.17Å; M604-G606 VanDerWaalsContact C-N 3.32Å; M604-G606 PolarHBondContact O-N 3.34Å; G606-T610 VanDerWaalsContact O-CB 3.27Å; G606-T610 WeakPolarHBondContact O-CB 3.11Å; G606-T610 PolarHBondContact O-N 2.86Å; G606-T610 PolarHBondContact O-OG1 3.05Å; G606-Y645 WeakPolarHBondContact O-CE2 3.45Å
607	I	95.3	Very high	92.3	Very high	34 Å²	34	49 Å²	49	17%	0.174	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-51.1	175.7	-72.5	170.7	0	0	0	110.3	S603 M604 A609 T610 S611 F642 Y645 F649	S603-I607 WeakPolarHBondContact O-CG1 3.29Å; S603-I607 PolarHBondContact O-N 3.01Å; M604-I607 PolarHBondContact O-N 3.44Å; I607-A609 VanDerWaalsContact C-N 3.34Å; I607-A609 PolarHBondContact O-N 3.42Å; I607-T610 PolarHBondContact O-N 3.23Å; I607-S611 WeakPolarHBondContact O-CB 3.44Å; I607-S611 PolarHBondContact O-N 3.14Å; I607-S611 PolarHBondContact O-OG 3Å; I607-F642 HydrophobicContact CG2-CE2 3.94Å; I607-Y645 HydrophobicContact CG1-CG 4.47Å; I607-F649 HydrophobicContact CD1-CE2 3.76Å
608	I	94.8	Very high	92.3	Very high	106 Å²	106	49.6 Å²	49.6	54%	0.544	27%	0.268	S	S	.	.	H	α-helix	trans	-57.6	-47.6	179.7	-67.5	164.4	0	0	0	110.7	M604 L605 T610 S611 F612	M604-I608 WeakPolarHBondContact O-CD1 3.48Å; M604-I608 VanDerWaalsContact O-CG1 3.29Å; M604-I608 WeakPolarHBondContact O-CG1 3.49Å; M604-I608 PolarHBondContact O-N 2.85Å; L605-I608 PolarHBondContact O-N 3.39Å; I608-T610 PolarHBondContact O-N 3.24Å; I608-S611 PolarHBondContact O-N 2.79Å; I608-F612 WeakPolarHBondContact O-CB 3.45Å; I608-F612 PolarHBondContact O-N 3.11Å
609	A	93	Very high	92.2	Very high	27 Å²	27	54.1 Å²	54.1	22%	0.223	28%	0.276	C	S	.	.	H	α-helix	trans	-64.3	-38.8	178.3	0	0	0	0	0	112.8	L605 I607 V613 L842 M847	L605-A609 VanDerWaalsContact O-CB 3.28Å; L605-A609 WeakPolarHBondContact O-CB 3.48Å; L605-A609 PolarHBondContact O-N 3.4Å; I607-A609 VanDerWaalsContact C-N 3.34Å; I607-A609 PolarHBondContact O-N 3.42Å; A609-V613 WeakPolarHBondContact O-CG2 3.38Å; A609-V613 PolarHBondContact O-N 3.46Å; A609-V613 VanDerWaalsContact O-N 3.12Å; A609-L842 HydrophobicContact CB-CD2 3.7Å; A609-M847 HydrophobicContact CB-CE 3.81Å
610	T	93.8	Very high	92	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-69.3	-44.8	177.9	-56.2	0	0	0	0	111.2	G606 I607 I608 F612 V613 I614 L638 I641 F642 Y645	G606-T610 VanDerWaalsContact O-CB 3.27Å; G606-T610 WeakPolarHBondContact O-CB 3.11Å; G606-T610 PolarHBondContact O-N 2.86Å; G606-T610 PolarHBondContact O-OG1 3.05Å; I607-T610 PolarHBondContact O-N 3.23Å; I608-T610 PolarHBondContact O-N 3.24Å; T610-F612 PolarHBondContact O-N 3.3Å; T610-V613 PolarHBondContact O-N 2.93Å; T610-I614 HydrophobicContact CG2-CD1 3.92Å; T610-I614 HydrophobicContact CG2-CG1 4.48Å; T610-I614 WeakPolarHBondContact O-CG1 3.4Å; T610-I614 PolarHBondContact O-N 2.7Å; T610-L638 HydrophobicContact CG2-CD2 4.45Å; T610-I641 HydrophobicContact CG2-CB 4.49Å; T610-I641 HydrophobicContact CG2-CG2 3.97Å; T610-F642 HydrophobicContact CG2-CB 4.11Å; T610-Y645 WeakPolarHBondContact OG1-CE2 3.27Å
611	S	92.8	Very high	91.6	Very high	47 Å²	47	59 Å²	59	33%	0.329	30%	0.296	S	S	.	.	H	α-helix	trans	-60.8	-42.1	175.3	-67.3	0	0	0	0	112	I607 I608 V613 I614 V615	I607-S611 WeakPolarHBondContact O-CB 3.44Å; I607-S611 PolarHBondContact O-N 3.14Å; I607-S611 PolarHBondContact O-OG 3Å; I608-S611 PolarHBondContact O-N 2.79Å; S611-V613 PolarHBondContact O-N 3.3Å; S611-I614 PolarHBondContact O-N 2.91Å; S611-V615 WeakPolarHBondContact O-CB 3.39Å; S611-V615 WeakPolarHBondContact O-CG2 3.49Å; S611-V615 PolarHBondContact O-N 2.87Å
612	F	92.9	Very high	91	Very high	109 Å²	109	58.1 Å²	58.1	48%	0.478	30%	0.297	S	S	.	.	H	α-helix	trans	-58.6	-46	173.8	173.8	-101.3	0	0	0	112.4	I608 T610 V615 T616 L854	I608-F612 WeakPolarHBondContact O-CB 3.45Å; I608-F612 PolarHBondContact O-N 3.11Å; T610-F612 PolarHBondContact O-N 3.3Å; F612-V615 PolarHBondContact O-N 3.03Å; F612-T616 WeakPolarHBondContact O-CB 3.3Å; F612-T616 PolarHBondContact O-N 3.44Å; F612-T616 PolarHBondContact O-OG1 3.22Å; F612-L854 HydrophobicContact CE1-CD1 4.09Å; F612-L854 HydrophobicContact CE2-CD1 4.48Å; F612-L854 HydrophobicContact CZ-CD1 3.55Å
613	V	91.4	Very high	90.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.1	-43.4	176	167.3	0	0	0	0	111.6	A609 T610 S611 T616 F617 L638 L842 Y846 M847 A850	A609-V613 WeakPolarHBondContact O-CG2 3.38Å; A609-V613 PolarHBondContact O-N 3.46Å; A609-V613 VanDerWaalsContact O-N 3.12Å; T610-V613 PolarHBondContact O-N 2.93Å; S611-V613 PolarHBondContact O-N 3.3Å; V613-T616 PolarHBondContact O-N 2.95Å; V613-F617 HydrophobicContact CG1-CD2 4.06Å; V613-F617 HydrophobicContact CG1-CE2 4.2Å; V613-F617 WeakPolarHBondContact O-CB 3.4Å; V613-F617 VanDerWaalsContact O-CD2 3.32Å; V613-F617 WeakPolarHBondContact O-CD2 3.4Å; V613-F617 PolarHBondContact O-N 3.29Å; V613-L638 HydrophobicContact CG1-CD1 4.03Å; V613-L638 HydrophobicContact CG1-CD2 3.7Å; V613-L842 HydrophobicContact CB-CD1 4.2Å; V613-L842 HydrophobicContact CG1-CD1 4.31Å; V613-L842 HydrophobicContact CG2-CD1 4.05Å; V613-Y846 HydrophobicContact CG1-CD1 4.23Å; V613-Y846 HydrophobicContact CG1-CG 4.22Å; V613-M847 HydrophobicContact CG2-CE 4.02Å; V613-M847 HydrophobicContact CG2-SD 4.03Å; V613-A850 HydrophobicContact CG2-CB 4.4Å
614	I	91.1	Very high	89.7	Confident	46 Å²	46	59.2 Å²	59.2	24%	0.236	31%	0.307	C	S	.	.	H	α-helix	trans	-60	-50.2	176.5	-70.7	167.1	0	0	0	110.5	T610 S611 T616 F617 V618 L638	T610-I614 HydrophobicContact CG2-CD1 3.92Å; T610-I614 HydrophobicContact CG2-CG1 4.48Å; T610-I614 WeakPolarHBondContact O-CG1 3.4Å; T610-I614 PolarHBondContact O-N 2.7Å; S611-I614 PolarHBondContact O-N 2.91Å; I614-T616 VanDerWaalsContact C-N 3.32Å; I614-T616 PolarHBondContact O-N 2.9Å; I614-F617 PolarHBondContact O-N 3.22Å; I614-V618 HydrophobicContact CG2-CG2 4.36Å; I614-V618 WeakPolarHBondContact O-CG2 3.49Å; I614-V618 PolarHBondContact O-N 2.73Å; I614-L638 HydrophobicContact CD1-CB 4.13Å; I614-L638 HydrophobicContact CG1-CB 3.81Å; I614-L638 HydrophobicContact CG1-CD1 4.02Å; I614-L638 HydrophobicContact CG1-CG 4.35Å
615	V	90.8	Very high	89	Confident	98 Å²	98	56.7 Å²	56.7	59%	0.594	29%	0.294	S	S	*	.	H	α-helix	trans	-59.9	-42.3	178.8	170.4	0	0	0	0	111.1	S611 F612 V618 R619	S611-V615 WeakPolarHBondContact O-CB 3.39Å; S611-V615 WeakPolarHBondContact O-CG2 3.49Å; S611-V615 PolarHBondContact O-N 2.87Å; F612-V615 PolarHBondContact O-N 3.03Å; V615-V618 PolarHBondContact O-N 2.77Å; V615-R619 WeakPolarHBondContact O-CB 3.33Å; V615-R619 PolarHBondContact O-N 3.49Å
616	T	88.9	Confident	88.4	Confident	8 Å²	8	52.2 Å²	52.2	5%	0.049	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-47.1	174.8	-57	0	0	0	0	111.4	F612 V613 I614 V618 R619 Y620 I853 L854	F612-T616 WeakPolarHBondContact O-CB 3.3Å; F612-T616 PolarHBondContact O-N 3.44Å; F612-T616 PolarHBondContact O-OG1 3.22Å; V613-T616 PolarHBondContact O-N 2.95Å; I614-T616 VanDerWaalsContact C-N 3.32Å; I614-T616 PolarHBondContact O-N 2.9Å; T616-V618 PolarHBondContact O-N 2.68Å; T616-R619 PolarHBondContact O-N 2.79Å; T616-Y620 HydrophobicContact CG2-CD2 4.06Å; T616-Y620 WeakPolarHBondContact O-CB 3.29Å; T616-Y620 WeakPolarHBondContact O-CD2 3.37Å; T616-Y620 PolarHBondContact O-N 2.69Å; T616-I853 HydrophobicContact CG2-CG2 4.04Å; T616-L854 HydrophobicContact CG2-CD1 4.21Å; T616-L854 HydrophobicContact CG2-CD2 4.14Å; T616-L854 HydrophobicContact CG2-CG 4.1Å
617	F	88	Confident	87.7	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66.7	-37.8	-178.7	-89.3	-122	0	0	0	112.5	V613 I614 Y620 N621 V626 Y635 Y846 K849 I853	V613-F617 HydrophobicContact CG1-CD2 4.06Å; V613-F617 HydrophobicContact CG1-CE2 4.2Å; V613-F617 WeakPolarHBondContact O-CB 3.4Å; V613-F617 VanDerWaalsContact O-CD2 3.32Å; V613-F617 WeakPolarHBondContact O-CD2 3.4Å; V613-F617 PolarHBondContact O-N 3.29Å; I614-F617 PolarHBondContact O-N 3.22Å; F617-Y620 CarbonylContact O-C 3.54Å; F617-N621 WeakPolarHBondContact O-CA 3.31Å; F617-N621 PolarHBondContact O-N 3.49Å; F617-V626 HydrophobicContact CD1-CB 4.5Å; F617-V626 HydrophobicContact CD1-CG1 3.9Å; F617-V626 HydrophobicContact CD1-CG2 3.96Å; F617-V626 HydrophobicContact CE1-CG1 4.39Å; F617-V626 HydrophobicContact CE1-CG2 4.08Å; F617-V626 HydrophobicContact CG-CG2 4.24Å; F617-V626 HydrophobicContact CZ-CG2 4.47Å; F617-Y635 HydrophobicContact CB-CE1 4.12Å; F617-Y635 PolarHBondContact O-OH 2.93Å; F617-Y846 AromaticContact CE1-CD1 3.86Å; F617-Y846 HydrophobicContact CE1-CD1 3.86Å; F617-Y846 AromaticContact CE1-CE1 3.85Å; F617-Y846 HydrophobicContact CE1-CE1 3.85Å; F617-Y846 HydrophobicContact CE2-CD1 4.18Å; F617-Y846 AromaticContact CZ-CD1 3.62Å; F617-Y846 HydrophobicContact CZ-CD1 3.62Å; F617-Y846 HydrophobicContact CZ-CE1 4.09Å; F617-K849 HydrophobicContact CE2-CB 4.37Å; F617-K849 HydrophobicContact CZ-CB 3.94Å; F617-K849 HydrophobicContact CZ-CD 4.13Å; F617-I853 HydrophobicContact CE2-CD1 4.26Å
618	V	88.3	Confident	86.7	Confident	86 Å²	86	61.4 Å²	61.4	52%	0.521	32%	0.316	S	S	.	.	H	α-helix	trans	-68.9	-44	173.9	174	0	0	0	0	111.2	I614 V615 T616 Y620 N621 Y635	I614-V618 HydrophobicContact CG2-CG2 4.36Å; I614-V618 WeakPolarHBondContact O-CG2 3.49Å; I614-V618 PolarHBondContact O-N 2.73Å; V615-V618 PolarHBondContact O-N 2.77Å; T616-V618 PolarHBondContact O-N 2.68Å; V618-Y620 PolarHBondContact O-N 3.39Å; V618-N621 WeakPolarHBondContact O-CB 3.3Å; V618-N621 PolarHBondContact O-N 2.98Å; V618-Y635 HydrophobicContact CG2-CE1 3.74Å
619	R	88.6	Confident	85.9	Confident	174 Å²	174	56.5 Å²	56.5	66%	0.657	29%	0.291	S	S	*	.	H	α-helix	trans	-66.9	-25	-179.2	-178.2	57.5	-173.4	83.9	-4.1	113.5	V615 T616	V615-R619 WeakPolarHBondContact O-CB 3.33Å; V615-R619 PolarHBondContact O-N 3.49Å; T616-R619 PolarHBondContact O-N 2.79Å
620	Y	86.5	Confident	85.3	Confident	90 Å²	90	55.9 Å²	55.9	35%	0.353	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	28.7	-179.4	-65.6	-75.1	0	0	0	113	T616 F617 V618 D622 T623 I853 L854	T616-Y620 HydrophobicContact CG2-CD2 4.06Å; T616-Y620 WeakPolarHBondContact O-CB 3.29Å; T616-Y620 WeakPolarHBondContact O-CD2 3.37Å; T616-Y620 PolarHBondContact O-N 2.69Å; F617-Y620 CarbonylContact O-C 3.54Å; V618-Y620 PolarHBondContact O-N 3.39Å; Y620-D622 PolarHBondContact O-N 3.46Å; Y620-D622 VanDerWaalsContact O-N 3.09Å; Y620-T623 HydrophobicContact CD1-CG2 4.21Å; Y620-T623 HydrophobicContact CG-CG2 4.48Å; Y620-T623 WeakPolarHBondContact O-CB 3.4Å; Y620-T623 WeakPolarHBondContact O-CG2 3.28Å; Y620-T623 PolarHBondContact O-N 3.38Å; Y620-T623 PolarHBondContact O-OG1 2.96Å; Y620-I853 HydrophobicContact CD1-CG2 4.42Å; Y620-I853 HydrophobicContact CD2-CG2 3.69Å; Y620-I853 HydrophobicContact CE2-CG2 4.28Å; Y620-I853 HydrophobicContact CG-CG2 3.77Å; Y620-L854 HydrophobicContact CE2-CD2 3.99Å
621	N	83.9	Confident	84.8	Confident	44 Å²	44	58.5 Å²	58.5	24%	0.235	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25	-170.3	-167.8	35.1	0	0	0	115.6	F617 V618 R631 Y635	F617-N621 WeakPolarHBondContact O-CA 3.31Å; F617-N621 PolarHBondContact O-N 3.49Å; V618-N621 WeakPolarHBondContact O-CB 3.3Å; V618-N621 PolarHBondContact O-N 2.98Å; N621-R631 WeakPolarHBondContact O-CD 3.28Å; N621-R631 PolarHBondContact O-NH1 2.97Å; N621-R631 WeakPolarHBondContact OD1-CD 3.26Å; N621-Y635 PolarHBondContact OD1-OH 3.49Å
622	D	80.2	Confident	84.5	Confident	115 Å²	115	59.9 Å²	59.9	62%	0.615	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-0.5	179	-67.2	-57.9	0	0	0	114.4	Y620 R631	Y620-D622 PolarHBondContact O-N 3.46Å; Y620-D622 VanDerWaalsContact O-N 3.09Å; D622-R631 IonicContact OD1-CZ 2.67Å; D622-R631 IonicContact OD1-NH1 2.58Å; D622-R631 PolarHBondContact OD1-NH1 3.04Å
623	T	82.9	Confident	84.2	Confident	22 Å²	22	55 Å²	55	14%	0.135	28%	0.277	C	S	.	.	S	Bend	trans	-64.4	145.7	176.9	58.6	0	0	0	0	112.3	Y620 I625 V626 R627 N860	Y620-T623 HydrophobicContact CD1-CG2 4.21Å; Y620-T623 HydrophobicContact CG-CG2 4.48Å; Y620-T623 WeakPolarHBondContact O-CB 3.4Å; Y620-T623 WeakPolarHBondContact O-CG2 3.28Å; Y620-T623 PolarHBondContact O-N 3.38Å; Y620-T623 PolarHBondContact O-OG1 2.96Å; T623-I625 PolarHBondContact O-N 3.47Å; T623-V626 PolarHBondContact O-N 3.17Å; T623-V626 WeakPolarHBondContact OG1-CG2 3.49Å; T623-R627 WeakPolarHBondContact O-CB 3.38Å; T623-R627 PolarHBondContact O-N 2.84Å; T623-N860 WeakPolarHBondContact CG2-ND2 3.42Å
624	P	77.3	Confident	84.1	Confident	49 Å²	49	55 Å²	55	32%	0.318	28%	0.277	S	S	.	.	H	α-helix	trans	-53.5	-37.1	179.7	-30.1	37.2	0	0	0	114.3	A628 N860 P862	P624-A628 WeakPolarHBondContact O-CB 3.25Å; P624-A628 PolarHBondContact O-N 3.41Å; P624-N860 WeakPolarHBondContact CD-O 3.48Å; P624-N860 WeakPolarHBondContact CG-O 3.42Å; P624-P862 HydrophobicContact CG-CB 4.28Å
625	I	80.4	Confident	84.1	Confident	37 Å²	37	55 Å²	55	19%	0.19	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-51.6	-179.7	-65.9	171.8	0	0	0	111.5	T623 R627 A628 S629 K849 I852 I853 N860	T623-I625 PolarHBondContact O-N 3.47Å; I625-R627 VanDerWaalsContact C-N 3.34Å; I625-R627 PolarHBondContact O-N 2.88Å; I625-A628 PolarHBondContact O-N 3.29Å; I625-S629 WeakPolarHBondContact O-CB 3.16Å; I625-S629 PolarHBondContact O-N 2.98Å; I625-S629 VanDerWaalsContact O-N 3.11Å; I625-K849 HydrophobicContact CG2-CB 4.26Å; I625-K849 HydrophobicContact CG2-CG 4.3Å; I625-I852 HydrophobicContact CD1-CB 4.37Å; I625-I852 HydrophobicContact CD1-CG2 3.53Å; I625-I853 HydrophobicContact CB-CG1 4.45Å; I625-I853 HydrophobicContact CD1-CG1 4.34Å; I625-I853 HydrophobicContact CG2-CD1 4.17Å; I625-I853 HydrophobicContact CG2-CG1 4.38Å; I625-N860 HydrophobicContact CD1-CB 4.11Å; I625-N860 WeakPolarHBondContact CD1-OD1 3.42Å; I625-N860 WeakPolarHBondContact CG1-OD1 3.46Å
626	V	82.2	Confident	84.1	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-42.5	178.9	177.8	0	0	0	0	110.4	F617 T623 A628 S629 G630 R631 I853	F617-V626 HydrophobicContact CD1-CB 4.5Å; F617-V626 HydrophobicContact CD1-CG1 3.9Å; F617-V626 HydrophobicContact CD1-CG2 3.96Å; F617-V626 HydrophobicContact CE1-CG1 4.39Å; F617-V626 HydrophobicContact CE1-CG2 4.08Å; F617-V626 HydrophobicContact CG-CG2 4.24Å; F617-V626 HydrophobicContact CZ-CG2 4.47Å; T623-V626 PolarHBondContact O-N 3.17Å; T623-V626 WeakPolarHBondContact OG1-CG2 3.49Å; V626-A628 PolarHBondContact O-N 3.46Å; V626-S629 PolarHBondContact O-N 3.17Å; V626-G630 PolarHBondContact O-N 3.46Å; V626-R631 HydrophobicContact CG1-CG 4.21Å; V626-I853 HydrophobicContact CG2-CD1 3.65Å
627	R	79.5	Confident	84.2	Confident	167 Å²	167	50.8 Å²	50.8	63%	0.63	25%	0.249	S	C	*	.	H	α-helix	trans	-66.9	-35	179.8	-159.9	170.3	-176.3	170.9	2	113.1	T623 I625	T623-R627 WeakPolarHBondContact O-CB 3.38Å; T623-R627 PolarHBondContact O-N 2.84Å; I625-R627 VanDerWaalsContact C-N 3.34Å; I625-R627 PolarHBondContact O-N 2.88Å
628	A	74	Confident	84.5	Confident	65 Å²	65	50.9 Å²	50.9	54%	0.537	25%	0.249	S	C	.	.	H	α-helix	trans	-69.2	-44	174.8	0	0	0	0	0	112.7	P624 I625 V626 G630	P624-A628 WeakPolarHBondContact O-CB 3.25Å; P624-A628 PolarHBondContact O-N 3.41Å; I625-A628 PolarHBondContact O-N 3.29Å; V626-A628 PolarHBondContact O-N 3.46Å; A628-G630 PolarHBondContact O-N 2.65Å
629	S	76.9	Confident	84.6	Confident	3 Å²	3	50 Å²	50	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-58.7	-15	176.6	-180	0	0	0	0	113.5	I625 V626 S634 K681 E791 K849	I625-S629 WeakPolarHBondContact O-CB 3.16Å; I625-S629 PolarHBondContact O-N 2.98Å; I625-S629 VanDerWaalsContact O-N 3.11Å; V626-S629 PolarHBondContact O-N 3.17Å; S629-S634 PolarHBondContact O-OG 3.12Å; S629-S634 PolarHBondContact OG-OG 3.23Å; S629-S634 VanDerWaalsContact OG-OG 3.11Å; S629-K681 WeakPolarHBondContact O-CE 3.44Å; S629-K681 PolarHBondContact O-NZ 2.91Å; S629-K681 PolarHBondContact OG-NZ 3.46Å; S629-E791 PolarHBondContact OG-OE1 3.41Å; S629-K849 PolarHBondContact OG-NZ 3.37Å
630	G	81	Confident	84.8	Confident	13 Å²	13	41.7 Å²	41.7	13%	0.134	21%	0.213	C	C	.	.			trans	79.1	101.3	-175.2	0	0	0	0	0	110.3	V626 A628 S634	V626-G630 PolarHBondContact O-N 3.46Å; A628-G630 PolarHBondContact O-N 2.65Å; G630-S634 WeakPolarHBondContact O-CB 3.06Å; G630-S634 PolarHBondContact O-N 3.04Å; G630-S634 PolarHBondContact O-OG 3.2Å
631	R	83	Confident	85.1	Confident	56 Å²	56	37.4 Å²	37.4	21%	0.211	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-59.3	-167.6	-40.4	-164.9	-64.1	-170.3	0.9	111.5	N621 D622 V626 M633 S634 Y635	N621-R631 WeakPolarHBondContact O-CD 3.28Å; N621-R631 PolarHBondContact O-NH1 2.97Å; N621-R631 WeakPolarHBondContact OD1-CD 3.26Å; D622-R631 IonicContact OD1-CZ 2.67Å; D622-R631 IonicContact OD1-NH1 2.58Å; D622-R631 PolarHBondContact OD1-NH1 3.04Å; V626-R631 HydrophobicContact CG1-CG 4.21Å; R631-M633 VanDerWaalsContact C-N 3.33Å; R631-M633 PolarHBondContact O-N 3.34Å; R631-S634 WeakPolarHBondContact O-CA 3.35Å; R631-S634 WeakPolarHBondContact O-CB 3.47Å; R631-S634 PolarHBondContact O-N 2.88Å; R631-Y635 HydrophobicContact CB-CE2 4.09Å; R631-Y635 VanDerWaalsContact O-CD2 3.25Å; R631-Y635 WeakPolarHBondContact O-CD2 3.47Å; R631-Y635 PolarHBondContact O-N 3.1Å
632	E	87.1	Confident	85.6	Confident	75 Å²	75	38.8 Å²	38.8	35%	0.35	20%	0.2	S	C	.	.	H	α-helix	trans	-55.5	-46.9	-178.5	-30.1	-43.5	131.3	0	0	112	S634 Y635 V636 P704 L708	E632-S634 PolarHBondContact O-N 3.4Å; E632-Y635 PolarHBondContact O-N 3.04Å; E632-V636 WeakPolarHBondContact O-CG2 3.44Å; E632-V636 PolarHBondContact O-N 3.26Å; E632-P704 HydrophobicContact CG-CB 4.27Å; E632-L708 HydrophobicContact CB-CD1 3.96Å; E632-L708 HydrophobicContact CB-CD2 3.89Å; E632-L708 HydrophobicContact CB-CG 4.1Å; E632-L708 HydrophobicContact CG-CD1 4.3Å
633	M	85.9	Confident	86.1	Confident	6 Å²	6	35 Å²	35	3%	0.03	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-28.8	177.2	-69.1	-52.7	-47.6	0	0	113.5	R631 L637 A677 T680 Q707 L708 T711	R631-M633 VanDerWaalsContact C-N 3.33Å; R631-M633 PolarHBondContact O-N 3.34Å; M633-L637 PolarHBondContact O-N 2.7Å; M633-A677 HydrophobicContact CE-CB 3.9Å; M633-T680 HydrophobicContact CE-CG2 4.02Å; M633-T680 HydrophobicContact SD-CG2 4.18Å; M633-Q707 HydrophobicContact CG-CB 4.14Å; M633-Q707 HydrophobicContact SD-CB 3.79Å; M633-L708 HydrophobicContact SD-CD2 4.32Å; M633-T711 HydrophobicContact CE-CG2 4.12Å; M633-T711 VanDerWaalsContact CE-OG1 3.3Å; M633-T711 WeakPolarHBondContact CE-OG1 3.31Å
634	S	89.3	Confident	86.6	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-77.1	-36.5	176.4	-59.8	0	0	0	0	111.5	S629 G630 R631 E632 L637 L638 Y846	S629-S634 PolarHBondContact O-OG 3.12Å; S629-S634 PolarHBondContact OG-OG 3.23Å; S629-S634 VanDerWaalsContact OG-OG 3.11Å; G630-S634 WeakPolarHBondContact O-CB 3.06Å; G630-S634 PolarHBondContact O-N 3.04Å; G630-S634 PolarHBondContact O-OG 3.2Å; R631-S634 WeakPolarHBondContact O-CA 3.35Å; R631-S634 WeakPolarHBondContact O-CB 3.47Å; R631-S634 PolarHBondContact O-N 2.88Å; E632-S634 PolarHBondContact O-N 3.4Å; S634-L637 PolarHBondContact O-N 2.99Å; S634-L638 WeakPolarHBondContact O-CB 3.33Å; S634-L638 VanDerWaalsContact O-CG 3.29Å; S634-L638 WeakPolarHBondContact O-CG 3.49Å; S634-L638 PolarHBondContact O-N 3.08Å; S634-Y846 WeakPolarHBondContact CA-OH 3Å; S634-Y846 WeakPolarHBondContact CB-OH 3.44Å
635	Y	90.8	Very high	87.4	Confident	48 Å²	48	32 Å²	32	19%	0.188	16%	0.16	C	C	.	.	H	α-helix	trans	-66.1	-43.9	173.4	-63.3	-53.9	0	0	0	111.9	F617 V618 N621 R631 E632 L637 L638 T639	F617-Y635 HydrophobicContact CB-CE1 4.12Å; F617-Y635 PolarHBondContact O-OH 2.93Å; V618-Y635 HydrophobicContact CG2-CE1 3.74Å; N621-Y635 PolarHBondContact OD1-OH 3.49Å; R631-Y635 HydrophobicContact CB-CE2 4.09Å; R631-Y635 VanDerWaalsContact O-CD2 3.25Å; R631-Y635 WeakPolarHBondContact O-CD2 3.47Å; R631-Y635 PolarHBondContact O-N 3.1Å; E632-Y635 PolarHBondContact O-N 3.04Å; Y635-L637 VanDerWaalsContact C-N 3.31Å; Y635-L637 PolarHBondContact O-N 2.73Å; Y635-L638 PolarHBondContact O-N 3.27Å; Y635-T639 PolarHBondContact O-N 2.98Å; Y635-T639 PolarHBondContact O-OG1 2.92Å; Y635-T639 VanDerWaalsContact O-OG1 3.08Å
636	V	91.8	Very high	87.9	Confident	16 Å²	16	31.6 Å²	31.6	10%	0.097	16%	0.162	C	C	.	.	H	α-helix	trans	-59	-41.7	176	178.4	0	0	0	0	111.8	E632 G640 F673 A677 L708 T711 I715	E632-V636 WeakPolarHBondContact O-CG2 3.44Å; E632-V636 PolarHBondContact O-N 3.26Å; V636-G640 PolarHBondContact O-N 2.03Å; V636-F673 HydrophobicContact CG1-CD1 4.05Å; V636-A677 HydrophobicContact CB-CB 4.47Å; V636-A677 HydrophobicContact CG1-CB 4.15Å; V636-L708 HydrophobicContact CG2-CD2 3.91Å; V636-T711 HydrophobicContact CG1-CG2 4.07Å; V636-I715 HydrophobicContact CG1-CD1 4.47Å
637	L	91.7	Very high	88.4	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-67.1	-43.1	176.2	179.2	50.5	0	0	0	112.5	M633 S634 Y635 T639 G640 I641 S674 A677 L678 L845 Y846	M633-L637 PolarHBondContact O-N 2.7Å; S634-L637 PolarHBondContact O-N 2.99Å; Y635-L637 VanDerWaalsContact C-N 3.31Å; Y635-L637 PolarHBondContact O-N 2.73Å; L637-T639 VanDerWaalsContact C-N 3.34Å; L637-T639 PolarHBondContact O-N 3.49Å; L637-G640 PolarHBondContact O-N 3.22Å; L637-I641 HydrophobicContact CD1-CD1 4.12Å; L637-I641 HydrophobicContact CD1-CG1 4.27Å; L637-I641 HydrophobicContact CG-CD1 4.1Å; L637-I641 WeakPolarHBondContact O-CG1 3.46Å; L637-I641 PolarHBondContact O-N 3.49Å; L637-S674 WeakPolarHBondContact CD1-O 3.18Å; L637-A677 HydrophobicContact CB-CB 3.85Å; L637-L678 HydrophobicContact CD1-CD1 4.25Å; L637-L678 HydrophobicContact CD1-CG 4.04Å; L637-L678 HydrophobicContact CD2-CD2 3.6Å; L637-L678 HydrophobicContact CD2-CG 3.89Å; L637-L845 HydrophobicContact CD2-CD1 4.07Å; L637-Y846 HydrophobicContact CD2-CE2 3.78Å; L637-Y846 HydrophobicContact CG-CE2 4.05Å
638	L	92.3	Very high	88.9	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-65.7	-35	177.3	-72.1	166.5	0	0	0	112.4	T610 V613 I614 S634 Y635 I641 F642 L842 Y846	T610-L638 HydrophobicContact CG2-CD2 4.45Å; V613-L638 HydrophobicContact CG1-CD1 4.03Å; V613-L638 HydrophobicContact CG1-CD2 3.7Å; I614-L638 HydrophobicContact CD1-CB 4.13Å; I614-L638 HydrophobicContact CG1-CB 3.81Å; I614-L638 HydrophobicContact CG1-CD1 4.02Å; I614-L638 HydrophobicContact CG1-CG 4.35Å; S634-L638 WeakPolarHBondContact O-CB 3.33Å; S634-L638 VanDerWaalsContact O-CG 3.29Å; S634-L638 WeakPolarHBondContact O-CG 3.49Å; S634-L638 PolarHBondContact O-N 3.08Å; Y635-L638 PolarHBondContact O-N 3.27Å; L638-I641 HydrophobicContact CD2-CD1 4.47Å; L638-I641 PolarHBondContact O-N 2.95Å; L638-F642 WeakPolarHBondContact O-CB 3.44Å; L638-F642 PolarHBondContact O-N 3.07Å; L638-L842 HydrophobicContact CD2-CD1 3.99Å; L638-Y846 HydrophobicContact CD1-CD1 4.33Å; L638-Y846 HydrophobicContact CD1-CE1 4.17Å; L638-Y846 HydrophobicContact CD2-CD1 4.28Å; L638-Y846 HydrophobicContact CD2-CD2 4.01Å; L638-Y846 HydrophobicContact CD2-CE1 4.49Å; L638-Y846 HydrophobicContact CD2-CE2 4.23Å; L638-Y846 HydrophobicContact CD2-CG 4.06Å; L638-Y846 HydrophobicContact CG-CE1 4.29Å; L638-Y846 HydrophobicContact CG-CE2 4.4Å
639	T	92.1	Very high	89.8	Confident	67 Å²	67	23.4 Å²	23.4	41%	0.411	12%	0.119	S	C	.	.	H	α-helix	trans	-64.1	-41.5	170.6	-59.4	0	0	0	0	111.7	Y635 L637 F642 L643	Y635-T639 PolarHBondContact O-N 2.98Å; Y635-T639 PolarHBondContact O-OG1 2.92Å; Y635-T639 VanDerWaalsContact O-OG1 3.08Å; L637-T639 VanDerWaalsContact C-N 3.34Å; L637-T639 PolarHBondContact O-N 3.49Å; T639-F642 PolarHBondContact O-N 2.87Å; T639-L643 HydrophobicContact CG2-CD1 4.3Å; T639-L643 WeakPolarHBondContact O-CG 3.41Å; T639-L643 PolarHBondContact O-N 3.33Å
640	G	91.9	Very high	90.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59	-48.6	172.9	0	0	0	0	0	112.5	V636 L637 F642 L643 C644 S674	V636-G640 PolarHBondContact O-N 2.03Å; L637-G640 PolarHBondContact O-N 3.22Å; G640-F642 VanDerWaalsContact C-N 3.35Å; G640-F642 PolarHBondContact O-N 3.49Å; G640-L643 PolarHBondContact O-N 3.36Å; G640-C644 PolarHBondContact O-N 2.9Å; G640-C644 PolarHBondContact O-SG 3.31Å; G640-S674 WeakPolarHBondContact CA-OG 3.43Å
641	I	93.4	Very high	90.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.4	-44.6	176.6	-70.1	167.5	0	0	0	111.1	T610 L637 L638 L643 C644 Y645 S674 A838 L842 Y846	T610-I641 HydrophobicContact CG2-CB 4.49Å; T610-I641 HydrophobicContact CG2-CG2 3.97Å; L637-I641 HydrophobicContact CD1-CD1 4.12Å; L637-I641 HydrophobicContact CD1-CG1 4.27Å; L637-I641 HydrophobicContact CG-CD1 4.1Å; L637-I641 WeakPolarHBondContact O-CG1 3.46Å; L637-I641 PolarHBondContact O-N 3.49Å; L638-I641 HydrophobicContact CD2-CD1 4.47Å; L638-I641 PolarHBondContact O-N 2.95Å; I641-L643 PolarHBondContact O-N 2.96Å; I641-C644 PolarHBondContact O-N 3.48Å; I641-Y645 HydrophobicContact CG2-CD2 4.22Å; I641-Y645 HydrophobicContact CG2-CE2 3.7Å; I641-Y645 VanDerWaalsContact O-CD2 3.23Å; I641-Y645 WeakPolarHBondContact O-CD2 3.37Å; I641-Y645 PolarHBondContact O-N 2.84Å; I641-S674 PolarHBondContact N-OG 3.15Å; I641-A838 HydrophobicContact CG2-CB 4.27Å; I641-L842 HydrophobicContact CG2-CB 4.37Å; I641-Y846 HydrophobicContact CD1-CE2 4.49Å
642	F	93.9	Very high	91	Very high	73 Å²	73	22.9 Å²	22.9	32%	0.32	12%	0.117	S	C	.	.	H	α-helix	trans	-60	-45.3	176.3	-177.8	-87.7	0	0	0	112.2	I607 T610 L638 T639 G640 C644 Y645 A646	I607-F642 HydrophobicContact CG2-CE2 3.94Å; T610-F642 HydrophobicContact CG2-CB 4.11Å; L638-F642 WeakPolarHBondContact O-CB 3.44Å; L638-F642 PolarHBondContact O-N 3.07Å; T639-F642 PolarHBondContact O-N 2.87Å; G640-F642 VanDerWaalsContact C-N 3.35Å; G640-F642 PolarHBondContact O-N 3.49Å; F642-C644 VanDerWaalsContact C-N 3.34Å; F642-C644 PolarHBondContact O-N 3.39Å; F642-Y645 PolarHBondContact O-N 3.47Å; F642-A646 WeakPolarHBondContact O-CB 3.47Å; F642-A646 PolarHBondContact O-N 3.33Å
643	L	91.8	Very high	91.1	Very high	37 Å²	37	20.1 Å²	20.1	19%	0.194	11%	0.107	C	C	.	.	H	α-helix	trans	-63.9	-37	176.8	-69.7	171.1	0	0	0	112.4	T639 G640 I641 Y645 A646 I647 F666	T639-L643 HydrophobicContact CG2-CD1 4.3Å; T639-L643 WeakPolarHBondContact O-CG 3.41Å; T639-L643 PolarHBondContact O-N 3.33Å; G640-L643 PolarHBondContact O-N 3.36Å; I641-L643 PolarHBondContact O-N 2.96Å; L643-Y645 PolarHBondContact O-N 2.99Å; L643-A646 PolarHBondContact O-N 3.3Å; L643-I647 PolarHBondContact O-N 3.47Å; L643-I647 VanDerWaalsContact O-N 3.08Å; L643-F666 HydrophobicContact CD2-CD1 4.07Å; L643-F666 HydrophobicContact CD2-CE1 3.98Å
644	C	92.4	Very high	91.1	Very high	4 Å²	4	23.1 Å²	23.1	3%	0.027	13%	0.126	C	C	.	.	H	α-helix	trans	-64.8	-23.7	175.8	-69.1	0	0	0	0	114.2	G640 I641 F642 I647 G670 M671 A838	G640-C644 PolarHBondContact O-N 2.9Å; G640-C644 PolarHBondContact O-SG 3.31Å; I641-C644 PolarHBondContact O-N 3.48Å; F642-C644 VanDerWaalsContact C-N 3.34Å; F642-C644 PolarHBondContact O-N 3.39Å; C644-I647 WeakPolarHBondContact O-CG2 3.4Å; C644-G670 PolarHBondContact SG-O 3.49Å; C644-G670 VanDerWaalsContact SG-O 3.39Å; C644-M671 HydrophobicContact CB-SD 4.49Å; C644-M671 PolarHBondContact SG-SD 3.2Å; C644-A838 HydrophobicContact CB-CB 3.88Å
645	Y	93.9	Very high	91	Very high	2 Å²	2	24 Å²	24	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-85.2	-47.3	168.9	-66.4	-61.2	0	0	0	111.5	S603 G606 I607 T610 I641 F642 L643 I647 T648 S835 A838 S839	S603-Y645 VanDerWaalsContact OG-C 3.27Å; S603-Y645 PolarHBondContact OG-O 3.31Å; G606-Y645 WeakPolarHBondContact O-CE2 3.45Å; I607-Y645 HydrophobicContact CG1-CG 4.47Å; T610-Y645 WeakPolarHBondContact OG1-CE2 3.27Å; I641-Y645 HydrophobicContact CG2-CD2 4.22Å; I641-Y645 HydrophobicContact CG2-CE2 3.7Å; I641-Y645 VanDerWaalsContact O-CD2 3.23Å; I641-Y645 WeakPolarHBondContact O-CD2 3.37Å; I641-Y645 PolarHBondContact O-N 2.84Å; F642-Y645 PolarHBondContact O-N 3.47Å; L643-Y645 PolarHBondContact O-N 2.99Å; Y645-I647 PolarHBondContact O-N 2.74Å; Y645-I647 VanDerWaalsContact O-N 3.15Å; Y645-T648 VanDerWaalsContact O-CB 3.3Å; Y645-T648 WeakPolarHBondContact O-CB 3.48Å; Y645-T648 PolarHBondContact O-N 3.3Å; Y645-T648 PolarHBondContact O-OG1 2.98Å; Y645-S835 WeakPolarHBondContact CE1-O 3.41Å; Y645-A838 HydrophobicContact CD1-CB 4.26Å; Y645-A838 HydrophobicContact CD2-CB 4.28Å; Y645-A838 HydrophobicContact CE1-CB 3.8Å; Y645-A838 HydrophobicContact CE2-CB 3.82Å; Y645-A838 HydrophobicContact CG-CB 4.5Å; Y645-S839 WeakPolarHBondContact OH-CA 3.42Å; Y645-S839 WeakPolarHBondContact OH-CB 3.3Å; Y645-S839 PolarHBondContact OH-N 3.15Å; Y645-S839 VanDerWaalsContact OH-N 3.08Å; Y645-S839 PolarHBondContact OH-OG 3.23Å
646	A	91.7	Very high	90.8	Very high	29 Å²	29	25.4 Å²	25.4	24%	0.24	14%	0.142	C	C	.	.	H	α-helix	trans	-56.5	-32.7	-176.6	0	0	0	0	0	113.6	F642 L643 T648 F649	F642-A646 WeakPolarHBondContact O-CB 3.47Å; F642-A646 PolarHBondContact O-N 3.33Å; L643-A646 PolarHBondContact O-N 3.3Å; A646-T648 PolarHBondContact O-N 3.22Å; A646-F649 PolarHBondContact O-N 2.85Å
647	I	91.4	Very high	90.6	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.015	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-25.4	176.2	-164.9	178.7	0	0	0	114.1	L643 C644 Y645 F649 L650 M651 F666 L667 L834	L643-I647 PolarHBondContact O-N 3.47Å; L643-I647 VanDerWaalsContact O-N 3.08Å; C644-I647 WeakPolarHBondContact O-CG2 3.4Å; Y645-I647 PolarHBondContact O-N 2.74Å; Y645-I647 VanDerWaalsContact O-N 3.15Å; I647-F649 PolarHBondContact O-N 3.25Å; I647-L650 HydrophobicContact CG1-CB 4.48Å; I647-L650 WeakPolarHBondContact O-CB 3.44Å; I647-L650 PolarHBondContact O-N 2.89Å; I647-M651 HydrophobicContact CG1-CG 4.18Å; I647-M651 PolarHBondContact O-N 3.42Å; I647-F666 HydrophobicContact CD1-CB 4.17Å; I647-F666 HydrophobicContact CG1-CB 4.29Å; I647-L667 HydrophobicContact CD1-CB 3.78Å; I647-L667 HydrophobicContact CD1-CD1 3.9Å; I647-L667 HydrophobicContact CD1-CG 4.49Å; I647-L667 VanDerWaalsContact CD1-N 3.31Å; I647-L834 HydrophobicContact CG2-CD1 4.07Å
648	T	91.6	Very high	90.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58	-36.3	178.9	-63.1	0	0	0	0	111.6	P599 Y645 A646 M651 I652 T831 S835	P599-T648 HydrophobicContact CB-CG2 3.66Å; Y645-T648 VanDerWaalsContact O-CB 3.3Å; Y645-T648 WeakPolarHBondContact O-CB 3.48Å; Y645-T648 PolarHBondContact O-N 3.3Å; Y645-T648 PolarHBondContact O-OG1 2.98Å; A646-T648 PolarHBondContact O-N 3.22Å; T648-M651 PolarHBondContact O-N 3.08Å; T648-I652 HydrophobicContact CG2-CD1 3.92Å; T648-I652 WeakPolarHBondContact O-CG1 3.34Å; T648-I652 PolarHBondContact O-N 2.75Å; T648-T831 HydrophobicContact CG2-CG2 4.2Å; T648-S835 PolarHBondContact OG1-OG 2.77Å
649	F	91.6	Very high	90.3	Very high	57 Å²	57	30.8 Å²	30.8	25%	0.25	18%	0.181	C	C	.	.	H	α-helix	trans	-69.1	-40.5	174.5	-60.1	-86.6	0	0	0	112.2	W591 V600 S603 M604 I607 A646 I647 M651 I652 A653	W591-F649 HydrophobicContact CH2-CB 4.45Å; W591-F649 HydrophobicContact CH2-CD1 4.31Å; W591-F649 HydrophobicContact CZ3-CD1 4.12Å; V600-F649 HydrophobicContact CG1-CE1 3.85Å; V600-F649 HydrophobicContact CG1-CZ 4.3Å; V600-F649 HydrophobicContact CG2-CE1 4.43Å; S603-F649 VanDerWaalsContact OG-CE2 3.31Å; S603-F649 WeakPolarHBondContact OG-CE2 3.35Å; M604-F649 HydrophobicContact CG-CZ 3.94Å; M604-F649 HydrophobicContact SD-CE1 4.3Å; M604-F649 HydrophobicContact SD-CZ 3.66Å; I607-F649 HydrophobicContact CD1-CE2 3.76Å; A646-F649 PolarHBondContact O-N 2.85Å; I647-F649 PolarHBondContact O-N 3.25Å; F649-M651 VanDerWaalsContact C-N 3.33Å; F649-M651 PolarHBondContact O-N 3.12Å; F649-I652 PolarHBondContact O-N 3.47Å; F649-A653 WeakPolarHBondContact O-CB 3.25Å; F649-A653 PolarHBondContact O-N 3.18Å
650	L	89.9	Confident	90.2	Very high	41 Å²	41	27.6 Å²	27.6	22%	0.215	16%	0.162	C	C	.	.	H	α-helix	trans	-62.8	-40.1	176.2	-63.8	175.4	0	0	0	111.6	I647 I652 L662 R663 F666	I647-L650 HydrophobicContact CG1-CB 4.48Å; I647-L650 WeakPolarHBondContact O-CB 3.44Å; I647-L650 PolarHBondContact O-N 2.89Å; L650-I652 VanDerWaalsContact C-N 3.33Å; L650-I652 PolarHBondContact O-N 2.68Å; L650-L662 HydrophobicContact CD1-CB 4.11Å; L650-L662 HydrophobicContact CD2-CB 4.07Å; L650-L662 HydrophobicContact CD2-CD1 4.15Å; L650-R663 HydrophobicContact CB-CG 4.44Å; L650-R663 VanDerWaalsContact O-CZ 3.27Å; L650-R663 PolarHBondContact O-NE 2.82Å; L650-R663 PolarHBondContact O-NH2 3.44Å; L650-F666 HydrophobicContact CD1-CB 4.23Å; L650-F666 HydrophobicContact CD1-CD2 3.72Å; L650-F666 HydrophobicContact CD1-CG 4.26Å
651	M	87.2	Confident	90	Very high	18 Å²	18	29 Å²	29	9%	0.089	17%	0.172	C	C	.	.	H	α-helix	trans	-69.5	-26.2	178.4	-70.6	-59	-55.8	0	0	113.8	I647 T648 F649 R663 T827 L830 T831	I647-M651 HydrophobicContact CG1-CG 4.18Å; I647-M651 PolarHBondContact O-N 3.42Å; T648-M651 PolarHBondContact O-N 3.08Å; F649-M651 VanDerWaalsContact C-N 3.33Å; F649-M651 PolarHBondContact O-N 3.12Å; M651-R663 VanDerWaalsContact C-NH2 3.35Å; M651-R663 PolarHBondContact O-NH2 3.01Å; M651-R663 HydrophobicContact SD-CB 4.22Å; M651-R663 HydrophobicContact SD-CG 3.77Å; M651-T827 HydrophobicContact CB-CG2 4.28Å; M651-T827 HydrophobicContact CE-CG2 4.2Å; M651-L830 HydrophobicContact CE-CD2 4.08Å; M651-T831 HydrophobicContact CB-CG2 3.54Å; M651-T831 HydrophobicContact CG-CG2 3.86Å
652	I	88.9	Confident	89.8	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-97.4	-23.6	-177.9	-68.5	170.8	0	0	0	112.8	L589 W591 A596 P599 V600 T648 F649 L650	L589-I652 HydrophobicContact CD2-CB 4.41Å; L589-I652 HydrophobicContact CD2-CG1 4.2Å; L589-I652 HydrophobicContact CD2-CG2 4.26Å; W591-I652 HydrophobicContact CD2-CG2 4Å; W591-I652 HydrophobicContact CE3-CG2 3.53Å; W591-I652 HydrophobicContact CH2-CB 4.29Å; W591-I652 HydrophobicContact CH2-CG2 4.05Å; W591-I652 HydrophobicContact CZ2-CG2 4.47Å; W591-I652 HydrophobicContact CZ3-CB 4.05Å; W591-I652 HydrophobicContact CZ3-CG2 3.55Å; A596-I652 HydrophobicContact CB-CD1 4.37Å; A596-I652 HydrophobicContact CB-CG2 3.79Å; P599-I652 HydrophobicContact CB-CD1 4.11Å; P599-I652 HydrophobicContact CG-CD1 4.46Å; V600-I652 HydrophobicContact CG2-CD1 3.71Å; T648-I652 HydrophobicContact CG2-CD1 3.92Å; T648-I652 WeakPolarHBondContact O-CG1 3.34Å; T648-I652 PolarHBondContact O-N 2.75Å; F649-I652 PolarHBondContact O-N 3.47Å; L650-I652 VanDerWaalsContact C-N 3.33Å; L650-I652 PolarHBondContact O-N 2.68Å
653	A	88.9	Confident	89.5	Confident	18 Å²	18	30.2 Å²	30.2	15%	0.149	18%	0.179	C	C	.	.	S	Bend	trans	-54.2	157.4	175.9	0	0	0	0	0	113.4	W591 F649 V659 R663	W591-A653 HydrophobicContact CZ2-CB 4.11Å; F649-A653 WeakPolarHBondContact O-CB 3.25Å; F649-A653 PolarHBondContact O-N 3.18Å; A653-V659 HydrophobicContact CB-CG1 4.08Å; A653-V659 HydrophobicContact CB-CG2 4.37Å; A653-R663 PolarHBondContact O-NH2 3.21Å
654	T	86.7	Confident	89.2	Confident	68 Å²	68	29.1 Å²	29.1	42%	0.417	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-58.9	129.1	175.8	46.2	0	0	0	0	110.7	K588 D656	K588-T654 HydrophobicContact CD-CG2 4.28Å; T654-D656 PolarHBondContact O-N 3.03Å
655	P	86.9	Confident	88.9	Confident	18 Å²	18	31 Å²	31	12%	0.117	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-57.6	127.6	176.1	-25.5	35.4	0	0	0	111.8	I733 L752	P655-I733 HydrophobicContact CB-CG2 4.33Å; P655-L752 HydrophobicContact CB-CG 4.22Å; P655-L752 HydrophobicContact CG-CG 4.36Å
656	D	87.3	Confident	88.7	Confident	79 Å²	79	34 Å²	34	42%	0.422	20%	0.195	S	C	.	.			trans	-152.3	157.3	178.7	163.1	59	0	0	0	107	T654 G658 V659 C660	T654-D656 PolarHBondContact O-N 3.03Å; D656-G658 PolarHBondContact O-N 3.18Å; D656-G658 WeakPolarHBondContact OD2-CA 3.44Å; D656-G658 PolarHBondContact OD2-N 3.42Å; D656-V659 HydrophobicContact CB-CB 4.29Å; D656-V659 HydrophobicContact CB-CG2 4.17Å; D656-V659 PolarHBondContact O-N 3.44Å; D656-C660 WeakPolarHBondContact O-CB 3.09Å; D656-C660 PolarHBondContact O-N 3.24Å; D656-C660 PolarHBondContact O-SG 2.86Å
657	V	87.3	Confident	88.3	Confident	73 Å²	73	33 Å²	33	44%	0.442	19%	0.186	S	C	.	.	H	α-helix	trans	-54.4	-41	-179.6	-178.5	0	0	0	0	111.6	S661	V657-S661 WeakPolarHBondContact O-CB 3.48Å; V657-S661 PolarHBondContact O-N 3.09Å; V657-S661 VanDerWaalsContact O-N 3.08Å; V657-S661 PolarHBondContact O-OG 3.42Å
658	G	88.2	Confident	88	Confident	32 Å²	32	32.9 Å²	32.9	33%	0.33	19%	0.185	S	C	.	.	H	α-helix	trans	-66.3	-47.2	174.6	0	0	0	0	0	112.4	D656 S661 L662	D656-G658 PolarHBondContact O-N 3.18Å; D656-G658 WeakPolarHBondContact OD2-CA 3.44Å; D656-G658 PolarHBondContact OD2-N 3.42Å; G658-S661 WeakPolarHBondContact O-CB 3.45Å; G658-S661 PolarHBondContact O-N 3.08Å; G658-L662 VanDerWaalsContact O-CG 3.25Å; G658-L662 WeakPolarHBondContact O-CG 3.29Å; G658-L662 PolarHBondContact O-N 2.84Å
659	V	89.8	Confident	87.8	Confident	25 Å²	25	33.3 Å²	33.3	15%	0.152	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-44.8	179	173.1	0	0	0	0	111.7	A653 D656 S661 L662 R663	A653-V659 HydrophobicContact CB-CG1 4.08Å; A653-V659 HydrophobicContact CB-CG2 4.37Å; D656-V659 HydrophobicContact CB-CB 4.29Å; D656-V659 HydrophobicContact CB-CG2 4.17Å; D656-V659 PolarHBondContact O-N 3.44Å; V659-S661 PolarHBondContact O-N 2.75Å; V659-L662 PolarHBondContact O-N 2.92Å; V659-R663 WeakPolarHBondContact O-CG 3.31Å; V659-R663 PolarHBondContact O-N 3.17Å
660	C	88.6	Confident	87.6	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-64.1	-39.2	177.9	-60.3	0	0	0	0	111.8	D656 R663 R664 P731 C754	D656-C660 WeakPolarHBondContact O-CB 3.09Å; D656-C660 PolarHBondContact O-N 3.24Å; D656-C660 PolarHBondContact O-SG 2.86Å; C660-R663 PolarHBondContact O-N 3.34Å; C660-R664 PolarHBondContact O-N 2.89Å; C660-P731 HydrophobicContact CB-CB 4.4Å; C660-C754 VanDerWaalsContact CA-SG 3.52Å; C660-C754 HydrophobicContact CB-CB 3.75Å; C660-C754 WeakPolarHBondContact CB-SG 3.41Å; C660-C754 VanDerWaalsContact SG-CA 3.58Å; C660-C754 WeakPolarHBondContact SG-CB 3.31Å; C660-C754 CovalentContact SG-SG 2.03Å; C660-C754 PolarHBondContact SG-SG 3.33Å
661	S	88.1	Confident	87.6	Confident	29 Å²	29	28.9 Å²	28.9	20%	0.203	17%	0.167	C	C	.	.	H	α-helix	trans	-60	-49	171.9	-58.5	0	0	0	0	111.8	V657 G658 V659 R663 R664 I665 P731	V657-S661 WeakPolarHBondContact O-CB 3.48Å; V657-S661 PolarHBondContact O-N 3.09Å; V657-S661 VanDerWaalsContact O-N 3.08Å; V657-S661 PolarHBondContact O-OG 3.42Å; G658-S661 WeakPolarHBondContact O-CB 3.45Å; G658-S661 PolarHBondContact O-N 3.08Å; V659-S661 PolarHBondContact O-N 2.75Å; S661-R663 PolarHBondContact O-N 3Å; S661-R664 PolarHBondContact O-N 2.92Å; S661-I665 WeakPolarHBondContact O-CG1 3.4Å; S661-I665 PolarHBondContact O-N 3.03Å; S661-P731 WeakPolarHBondContact OG-CG 3.45Å
662	L	88.7	Confident	87.8	Confident	71 Å²	71	28 Å²	28	37%	0.372	16%	0.163	S	C	.	.	H	α-helix	trans	-65	-37.5	-179.2	-67.2	166.1	0	0	0	112.3	L650 G658 V659 I665 F666	L650-L662 HydrophobicContact CD1-CB 4.11Å; L650-L662 HydrophobicContact CD2-CB 4.07Å; L650-L662 HydrophobicContact CD2-CD1 4.15Å; G658-L662 VanDerWaalsContact O-CG 3.25Å; G658-L662 WeakPolarHBondContact O-CG 3.29Å; G658-L662 PolarHBondContact O-N 2.84Å; V659-L662 PolarHBondContact O-N 2.92Å; L662-I665 PolarHBondContact O-N 3.26Å; L662-F666 HydrophobicContact CB-CD2 4.48Å; L662-F666 HydrophobicContact CD2-CD2 4.41Å; L662-F666 HydrophobicContact CD2-CE2 3.87Å; L662-F666 WeakPolarHBondContact O-CD2 3.37Å; L662-F666 PolarHBondContact O-N 3.3Å
663	R	88	Confident	88	Confident	27 Å²	27	29.9 Å²	29.9	10%	0.102	17%	0.171	C	C	.	.	H	α-helix	trans	-55.9	-51	172	-73.8	174.5	-173	-174.2	0.5	111.5	L650 M651 A653 V659 C660 S661 I665 F666 L667	L650-R663 HydrophobicContact CB-CG 4.44Å; L650-R663 VanDerWaalsContact O-CZ 3.27Å; L650-R663 PolarHBondContact O-NE 2.82Å; L650-R663 PolarHBondContact O-NH2 3.44Å; M651-R663 VanDerWaalsContact C-NH2 3.35Å; M651-R663 PolarHBondContact O-NH2 3.01Å; M651-R663 HydrophobicContact SD-CB 4.22Å; M651-R663 HydrophobicContact SD-CG 3.77Å; A653-R663 PolarHBondContact O-NH2 3.21Å; V659-R663 WeakPolarHBondContact O-CG 3.31Å; V659-R663 PolarHBondContact O-N 3.17Å; C660-R663 PolarHBondContact O-N 3.34Å; S661-R663 PolarHBondContact O-N 3Å; R663-I665 VanDerWaalsContact C-N 3.29Å; R663-I665 PolarHBondContact O-N 2.84Å; R663-F666 PolarHBondContact O-N 3.15Å; R663-L667 VanDerWaalsContact O-CB 3.25Å; R663-L667 WeakPolarHBondContact O-CB 3.48Å; R663-L667 PolarHBondContact O-N 3.14Å; R663-L667 VanDerWaalsContact O-N 3.17Å
664	R	85.8	Confident	88.1	Confident	14 Å²	14	29.3 Å²	29.3	5%	0.053	17%	0.165	C	C	.	.	H	α-helix	trans	-59	-40.6	-178.7	-160.5	-173.8	-150.4	128.3	13	112.2	C660 S661 F726 D729	C660-R664 PolarHBondContact O-N 2.89Å; S661-R664 PolarHBondContact O-N 2.92Å; R664-F726 HydrophobicContact CB-CE1 4.1Å; R664-F726 HydrophobicContact CB-CZ 4.13Å; R664-F726 HydrophobicContact CG-CE1 4.25Å; R664-F726 HydrophobicContact CG-CZ 4.5Å; R664-D729 IonicContact CZ-OD2 2.75Å; R664-D729 PolarHBondContact NH1-O 2.97Å; R664-D729 IonicContact NH1-OD2 2.73Å; R664-D729 IonicContact NH2-OD2 2.82Å; R664-D729 PolarHBondContact NH2-OD2 2.86Å
665	I	86.9	Confident	88.4	Confident	45 Å²	45	26.2 Å²	26.2	23%	0.231	15%	0.146	C	C	.	.	H	α-helix	trans	-66.4	-60.3	178.3	-68.6	162.8	0	0	0	111.1	S661 L662 R663 L667 L669 V722 F726	S661-I665 WeakPolarHBondContact O-CG1 3.4Å; S661-I665 PolarHBondContact O-N 3.03Å; L662-I665 PolarHBondContact O-N 3.26Å; R663-I665 VanDerWaalsContact C-N 3.29Å; R663-I665 PolarHBondContact O-N 2.84Å; I665-L667 PolarHBondContact O-N 2.86Å; I665-L669 HydrophobicContact CG2-CD1 3.63Å; I665-L669 WeakPolarHBondContact O-CB 3.34Å; I665-L669 VanDerWaalsContact O-CD1 3.31Å; I665-L669 WeakPolarHBondContact O-CD1 3.38Å; I665-L669 VanDerWaalsContact O-CG 3.24Å; I665-L669 WeakPolarHBondContact O-CG 3.25Å; I665-V722 HydrophobicContact CG1-CG1 4.04Å; I665-F726 HydrophobicContact CD1-CE2 3.85Å; I665-F726 HydrophobicContact CD1-CZ 3.92Å; I665-F726 HydrophobicContact CG1-CE2 3.57Å; I665-F726 HydrophobicContact CG1-CZ 3.66Å
666	F	88.1	Confident	88.7	Confident	64 Å²	64	25.3 Å²	25.3	28%	0.281	14%	0.14	S	C	.	.	H	α-helix	trans	-77.5	-21.8	-165.6	-73	-70.8	0	0	0	114	L643 I647 L650 L662 R663 L669 G670	L643-F666 HydrophobicContact CD2-CD1 4.07Å; L643-F666 HydrophobicContact CD2-CE1 3.98Å; I647-F666 HydrophobicContact CD1-CB 4.17Å; I647-F666 HydrophobicContact CG1-CB 4.29Å; L650-F666 HydrophobicContact CD1-CB 4.23Å; L650-F666 HydrophobicContact CD1-CD2 3.72Å; L650-F666 HydrophobicContact CD1-CG 4.26Å; L662-F666 HydrophobicContact CB-CD2 4.48Å; L662-F666 HydrophobicContact CD2-CD2 4.41Å; L662-F666 HydrophobicContact CD2-CE2 3.87Å; L662-F666 WeakPolarHBondContact O-CD2 3.37Å; L662-F666 PolarHBondContact O-N 3.3Å; R663-F666 PolarHBondContact O-N 3.15Å; F666-L669 PolarHBondContact O-N 3.13Å; F666-G670 PolarHBondContact O-N 3.18Å
667	L	84.4	Confident	88.9	Confident	8 Å²	8	21.6 Å²	21.6	4%	0.042	12%	0.121	C	C	.	.	H	α-helix	trans	-60.9	-50.3	-177.4	-176.7	62.4	0	0	0	113.3	I647 R663 I665 L761 L765 L830 L834	I647-L667 HydrophobicContact CD1-CB 3.78Å; I647-L667 HydrophobicContact CD1-CD1 3.9Å; I647-L667 HydrophobicContact CD1-CG 4.49Å; I647-L667 VanDerWaalsContact CD1-N 3.31Å; R663-L667 VanDerWaalsContact O-CB 3.25Å; R663-L667 WeakPolarHBondContact O-CB 3.48Å; R663-L667 PolarHBondContact O-N 3.14Å; R663-L667 VanDerWaalsContact O-N 3.17Å; I665-L667 PolarHBondContact O-N 2.86Å; L667-L761 HydrophobicContact CD2-CD1 3.48Å; L667-L761 VanDerWaalsContact CD2-CD1 3.48Å; L667-L761 HydrophobicContact CD2-CG 4.23Å; L667-L765 HydrophobicContact CD1-CD2 4Å; L667-L765 HydrophobicContact CG-CD2 3.96Å; L667-L765 HydrophobicContact CG-CG 4.36Å; L667-L830 HydrophobicContact CD1-CD1 4.28Å; L667-L830 HydrophobicContact CD1-CD2 3.98Å; L667-L830 HydrophobicContact CD1-CG 4.4Å; L667-L830 HydrophobicContact CD2-CD2 4.41Å; L667-L834 HydrophobicContact CD1-CD1 3.85Å
668	G	84.9	Confident	89	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-73.8	-36.2	173.8	0	0	0	0	0	112.5	C672 S768	G668-C672 WeakPolarHBondContact O-CB 3.35Å; G668-C672 PolarHBondContact O-N 3.36Å; G668-C672 VanDerWaalsContact O-N 3.08Å; G668-S768 PolarHBondContact O-OG 3.48Å
669	L	88.1	Confident	89.2	Confident	9 Å²	9	17.4 Å²	17.4	5%	0.047	9%	0.088	C	C	.	.	H	α-helix	trans	-74.2	-44.4	-169.2	-69.7	173.1	0	0	0	114.5	I665 F666 M671 C672 F673 Q718 L719	I665-L669 HydrophobicContact CG2-CD1 3.63Å; I665-L669 WeakPolarHBondContact O-CB 3.34Å; I665-L669 VanDerWaalsContact O-CD1 3.31Å; I665-L669 WeakPolarHBondContact O-CD1 3.38Å; I665-L669 VanDerWaalsContact O-CG 3.24Å; I665-L669 WeakPolarHBondContact O-CG 3.25Å; F666-L669 PolarHBondContact O-N 3.13Å; L669-M671 VanDerWaalsContact C-N 3.31Å; L669-M671 PolarHBondContact O-N 3.33Å; L669-C672 PolarHBondContact O-N 3.29Å; L669-C672 VanDerWaalsContact O-N 3.1Å; L669-F673 WeakPolarHBondContact O-CD2 3.46Å; L669-F673 PolarHBondContact O-N 2.81Å; L669-Q718 HydrophobicContact CD2-CB 4.04Å; L669-Q718 HydrophobicContact CD2-CG 3.67Å; L669-Q718 HydrophobicContact CG-CG 4.29Å; L669-L719 HydrophobicContact CD1-CD2 3.64Å; L669-L719 HydrophobicContact CD2-CD2 3.61Å; L669-L719 HydrophobicContact CD2-CG 3.73Å; L669-L719 HydrophobicContact CG-CD2 4.29Å
670	G	87.1	Confident	89.2	Confident	2 Å²	2	16.5 Å²	16.5	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-58.5	-44.8	-177.8	0	0	0	0	0	112.4	C644 F666 S674	C644-G670 PolarHBondContact SG-O 3.49Å; C644-G670 VanDerWaalsContact SG-O 3.39Å; F666-G670 PolarHBondContact O-N 3.18Å; G670-S674 PolarHBondContact O-N 3.27Å; G670-S674 PolarHBondContact O-OG 3.42Å
671	M	88.9	Confident	89.1	Confident	4 Å²	4	16.8 Å²	16.8	2%	0.02	8%	0.084	C	C	.	.	H	α-helix	trans	-67.1	-39.8	174.9	-63.7	-55	-55.5	0	0	111.9	C644 L669 S674 Y675 S768 W806 L834	C644-M671 HydrophobicContact CB-SD 4.49Å; C644-M671 PolarHBondContact SG-SD 3.2Å; L669-M671 VanDerWaalsContact C-N 3.31Å; L669-M671 PolarHBondContact O-N 3.33Å; M671-S674 PolarHBondContact O-N 3.46Å; M671-Y675 HydrophobicContact CE-CD2 4.09Å; M671-Y675 HydrophobicContact CE-CE2 3.24Å; M671-Y675 WeakPolarHBondContact CE-OH 3.29Å; M671-Y675 WeakPolarHBondContact O-CD2 3.46Å; M671-Y675 PolarHBondContact O-N 3.18Å; M671-S768 WeakPolarHBondContact CB-OG 3.2Å; M671-W806 HydrophobicContact CE-CZ2 3.83Å; M671-W806 HydrophobicContact CG-CZ2 4.26Å; M671-W806 HydrophobicContact SD-CZ2 4.11Å; M671-L834 HydrophobicContact CG-CD2 3.55Å; M671-L834 HydrophobicContact SD-CD2 3.6Å
672	C	92.5	Very high	89.1	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.8	-45.1	176.8	-174.7	0	0	0	0	112.6	G668 L669 S674 A676 Q718 S768 L771	G668-C672 WeakPolarHBondContact O-CB 3.35Å; G668-C672 PolarHBondContact O-N 3.36Å; G668-C672 VanDerWaalsContact O-N 3.08Å; L669-C672 PolarHBondContact O-N 3.29Å; L669-C672 VanDerWaalsContact O-N 3.1Å; C672-S674 VanDerWaalsContact C-N 3.27Å; C672-S674 PolarHBondContact O-N 3.08Å; C672-A676 WeakPolarHBondContact O-CB 3.45Å; C672-A676 PolarHBondContact O-N 3.5Å; C672-Q718 HydrophobicContact CB-CB 4.11Å; C672-Q718 HydrophobicContact CB-CG 4.05Å; C672-S768 PolarHBondContact N-OG 3.38Å; C672-L771 HydrophobicContact CB-CD1 4.47Å
673	F	92.3	Very high	89	Confident	41 Å²	41	13.9 Å²	13.9	18%	0.18	7%	0.066	C	C	.	.	H	α-helix	trans	-56.4	-44.2	174.3	-94.3	-98.4	0	0	0	111.1	V636 L669 A677 I715	V636-F673 HydrophobicContact CG1-CD1 4.05Å; L669-F673 WeakPolarHBondContact O-CD2 3.46Å; L669-F673 PolarHBondContact O-N 2.81Å; F673-A677 WeakPolarHBondContact O-CB 3.23Å; F673-A677 PolarHBondContact O-N 3.3Å; F673-I715 HydrophobicContact CD1-CD1 3.72Å; F673-I715 HydrophobicContact CD2-CD1 4.24Å; F673-I715 HydrophobicContact CD2-CG1 4.45Å; F673-I715 HydrophobicContact CD2-CG2 3.94Å; F673-I715 HydrophobicContact CE1-CD1 3.92Å; F673-I715 HydrophobicContact CE2-CD1 4.43Å; F673-I715 HydrophobicContact CE2-CG2 3.55Å; F673-I715 HydrophobicContact CG-CD1 3.9Å; F673-I715 HydrophobicContact CG-CG1 4.46Å; F673-I715 HydrophobicContact CZ-CD1 4.27Å; F673-I715 HydrophobicContact CZ-CG2 3.95Å
674	S	92	Very high	88.9	Confident	5 Å²	5	15.4 Å²	15.4	4%	0.035	7%	0.072	C	C	.	.	H	α-helix	trans	-65.3	-55.1	179.7	-56.2	0	0	0	0	112	L637 G640 I641 G670 M671 C672 A677 L678	L637-S674 WeakPolarHBondContact CD1-O 3.18Å; G640-S674 WeakPolarHBondContact CA-OG 3.43Å; I641-S674 PolarHBondContact N-OG 3.15Å; G670-S674 PolarHBondContact O-N 3.27Å; G670-S674 PolarHBondContact O-OG 3.42Å; M671-S674 PolarHBondContact O-N 3.46Å; C672-S674 VanDerWaalsContact C-N 3.27Å; C672-S674 PolarHBondContact O-N 3.08Å; S674-A677 PolarHBondContact O-N 3.04Å; S674-L678 WeakPolarHBondContact O-CG 3.48Å; S674-L678 PolarHBondContact O-N 3.49Å; S674-L678 VanDerWaalsContact O-N 3.09Å
675	Y	92.5	Very high	88.8	Confident	3 Å²	3	15.9 Å²	15.9	1%	0.012	8%	0.076	C	C	.	.	H	α-helix	trans	-73.8	-31.6	-177.1	-66.4	-48.3	0	0	0	113.6	M671 A677 L678 L679 S768 M772 C775 M799 W806 S837	M671-Y675 HydrophobicContact CE-CD2 4.09Å; M671-Y675 HydrophobicContact CE-CE2 3.24Å; M671-Y675 WeakPolarHBondContact CE-OH 3.29Å; M671-Y675 WeakPolarHBondContact O-CD2 3.46Å; M671-Y675 PolarHBondContact O-N 3.18Å; Y675-A677 VanDerWaalsContact C-N 3.33Å; Y675-A677 PolarHBondContact O-N 3.36Å; Y675-L678 HydrophobicContact CD1-CD1 4.03Å; Y675-L678 PolarHBondContact O-N 2.89Å; Y675-L679 VanDerWaalsContact O-CB 3.28Å; Y675-L679 WeakPolarHBondContact O-CB 3.32Å; Y675-L679 PolarHBondContact O-N 3.17Å; Y675-S768 WeakPolarHBondContact CD2-O 3.38Å; Y675-M772 HydrophobicContact CD1-CB 4.26Å; Y675-M772 HydrophobicContact CD1-CG 4.46Å; Y675-M772 HydrophobicContact CD2-CB 3.91Å; Y675-M772 HydrophobicContact CE1-CB 4.05Å; Y675-M772 HydrophobicContact CE1-CG 3.85Å; Y675-M772 HydrophobicContact CE2-CB 3.64Å; Y675-M772 HydrophobicContact CE2-CG 4.05Å; Y675-M772 HydrophobicContact CE2-SD 4.38Å; Y675-M772 HydrophobicContact CG-CB 4.21Å; Y675-M772 PolarHBondContact OH-SD 3.3Å; Y675-M772 VanDerWaalsContact OH-SD 3.37Å; Y675-C775 PolarHBondContact O-SG 3.04Å; Y675-C775 VanDerWaalsContact O-SG 3.34Å; Y675-M799 HydrophobicContact CD1-CE 4.13Å; Y675-M799 HydrophobicContact CD1-SD 4.39Å; Y675-M799 HydrophobicContact CE1-CE 3.95Å; Y675-M799 HydrophobicContact CE1-SD 4.42Å; Y675-W806 PolarHBondContact OH-NE1 3.43Å; Y675-S837 PolarHBondContact OH-OG 3.46Å
676	A	93.1	Very high	88.5	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.6	-40	173	0	0	0	0	0	111.5	C672 L679 T680 T711 L714 I715 L771	C672-A676 WeakPolarHBondContact O-CB 3.45Å; C672-A676 PolarHBondContact O-N 3.5Å; A676-L679 PolarHBondContact O-N 3.01Å; A676-T680 PolarHBondContact O-N 3.17Å; A676-T680 PolarHBondContact O-OG1 3.38Å; A676-T711 HydrophobicContact CB-CG2 4.01Å; A676-L714 HydrophobicContact CB-CB 3.95Å; A676-L714 HydrophobicContact CB-CD1 4.24Å; A676-I715 HydrophobicContact CB-CD1 4.41Å; A676-I715 HydrophobicContact CB-CG1 3.94Å; A676-L771 HydrophobicContact CB-CD1 4.46Å
677	A	91.5	Very high	88.2	Confident	1 Å²	1	14.9 Å²	14.9	1%	0.008	7%	0.068	C	C	.	.	H	α-helix	trans	-66.9	-42.7	176	0	0	0	0	0	112.2	M633 V636 L637 F673 S674 Y675 K681 T711	M633-A677 HydrophobicContact CE-CB 3.9Å; V636-A677 HydrophobicContact CB-CB 4.47Å; V636-A677 HydrophobicContact CG1-CB 4.15Å; L637-A677 HydrophobicContact CB-CB 3.85Å; F673-A677 WeakPolarHBondContact O-CB 3.23Å; F673-A677 PolarHBondContact O-N 3.3Å; S674-A677 PolarHBondContact O-N 3.04Å; Y675-A677 VanDerWaalsContact C-N 3.33Å; Y675-A677 PolarHBondContact O-N 3.36Å; A677-K681 VanDerWaalsContact O-CB 3.25Å; A677-K681 WeakPolarHBondContact O-CB 3.46Å; A677-K681 PolarHBondContact O-N 3.44Å; A677-T711 HydrophobicContact CB-CG2 4.36Å
678	L	90.2	Very high	87.9	Confident	1 Å²	1	17.3 Å²	17.3	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-63	-41.4	173.8	-72.7	168	0	0	0	112.4	L637 S674 Y675 K681 T682 M799 L845	L637-L678 HydrophobicContact CD1-CD1 4.25Å; L637-L678 HydrophobicContact CD1-CG 4.04Å; L637-L678 HydrophobicContact CD2-CD2 3.6Å; L637-L678 HydrophobicContact CD2-CG 3.89Å; S674-L678 WeakPolarHBondContact O-CG 3.48Å; S674-L678 PolarHBondContact O-N 3.49Å; S674-L678 VanDerWaalsContact O-N 3.09Å; Y675-L678 HydrophobicContact CD1-CD1 4.03Å; Y675-L678 PolarHBondContact O-N 2.89Å; L678-K681 PolarHBondContact O-N 2.94Å; L678-T682 WeakPolarHBondContact O-CB 3.35Å; L678-T682 PolarHBondContact O-N 3.02Å; L678-T682 PolarHBondContact O-OG1 3.07Å; L678-M799 HydrophobicContact CB-SD 4.5Å; L678-M799 HydrophobicContact CD1-SD 4.04Å; L678-L845 HydrophobicContact CD2-CD1 3.56Å
679	L	91.6	Very high	87.4	Confident	15 Å²	15	20.5 Å²	20.5	8%	0.079	10%	0.095	C	C	.	.	H	α-helix	trans	-61.8	-52	177.9	-175.4	51.9	0	0	0	110.8	Y675 A676 K681 T682 N683 L714 L771 T774 C775 Y778	Y675-L679 VanDerWaalsContact O-CB 3.28Å; Y675-L679 WeakPolarHBondContact O-CB 3.32Å; Y675-L679 PolarHBondContact O-N 3.17Å; A676-L679 PolarHBondContact O-N 3.01Å; L679-K681 VanDerWaalsContact C-N 3.29Å; L679-K681 PolarHBondContact O-N 3.42Å; L679-T682 PolarHBondContact O-N 3.47Å; L679-N683 WeakPolarHBondContact O-CB 3.32Å; L679-N683 PolarHBondContact O-N 2.9Å; L679-L714 HydrophobicContact CD2-CD1 4.02Å; L679-L771 HydrophobicContact CD2-CD2 3.88Å; L679-T774 HydrophobicContact CD1-CG2 3.89Å; L679-T774 HydrophobicContact CD2-CG2 4.1Å; L679-C775 VanDerWaalsContact CA-SG 3.55Å; L679-C775 WeakPolarHBondContact CB-SG 3.43Å; L679-C775 PolarHBondContact N-SG 3.22Å; L679-Y778 HydrophobicContact CD1-CD2 3.6Å; L679-Y778 HydrophobicContact CD1-CE2 4.09Å; L679-Y778 HydrophobicContact CD1-CG 4.48Å
680	T	90.2	Very high	86.9	Confident	6 Å²	6	22.5 Å²	22.5	4%	0.037	10%	0.104	C	C	.	.	H	α-helix	trans	-60.2	-40.4	178.9	-62.5	0	0	0	0	111.6	M633 A676 R684 Q707 I710 T711	M633-T680 HydrophobicContact CE-CG2 4.02Å; M633-T680 HydrophobicContact SD-CG2 4.18Å; A676-T680 PolarHBondContact O-N 3.17Å; A676-T680 PolarHBondContact O-OG1 3.38Å; T680-R684 WeakPolarHBondContact O-CB 3.27Å; T680-R684 PolarHBondContact O-N 2.88Å; T680-Q707 HydrophobicContact CG2-CB 3.82Å; T680-Q707 HydrophobicContact CG2-CG 4.22Å; T680-I710 HydrophobicContact CG2-CG2 4.43Å; T680-T711 VanDerWaalsContact CB-OG1 3.31Å; T680-T711 WeakPolarHBondContact CB-OG1 3.43Å; T680-T711 WeakPolarHBondContact CG2-OG1 3.34Å; T680-T711 PolarHBondContact OG1-OG1 3.48Å
681	K	87.3	Confident	86.1	Confident	7 Å²	7	25.3 Å²	25.3	3%	0.03	12%	0.116	C	C	.	.	H	α-helix	trans	-67	-40.8	178	-173.6	161.4	175.5	162.1	0	112.7	S629 A677 L678 L679 R684 I685 E791 I795	S629-K681 WeakPolarHBondContact O-CE 3.44Å; S629-K681 PolarHBondContact O-NZ 2.91Å; S629-K681 PolarHBondContact OG-NZ 3.46Å; A677-K681 VanDerWaalsContact O-CB 3.25Å; A677-K681 WeakPolarHBondContact O-CB 3.46Å; A677-K681 PolarHBondContact O-N 3.44Å; L678-K681 PolarHBondContact O-N 2.94Å; L679-K681 VanDerWaalsContact C-N 3.29Å; L679-K681 PolarHBondContact O-N 3.42Å; K681-R684 WeakPolarHBondContact O-CB 3.49Å; K681-I685 WeakPolarHBondContact O-CG1 3.38Å; K681-I685 PolarHBondContact O-N 3.43Å; K681-E791 WeakPolarHBondContact CE-OE1 3.19Å; K681-E791 WeakPolarHBondContact CE-OE2 3.41Å; K681-E791 VanDerWaalsContact NZ-CD 3.3Å; K681-E791 IonicContact NZ-OE1 2.7Å; K681-E791 PolarHBondContact NZ-OE1 2.94Å; K681-E791 IonicContact NZ-OE2 3.42Å; K681-E791 PolarHBondContact NZ-OE2 3.47Å; K681-I795 HydrophobicContact CD-CD1 4.39Å; K681-I795 HydrophobicContact CG-CD1 4.17Å
682	T	87.6	Confident	85.1	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-73.1	-41.4	177.5	-47.6	0	0	0	0	111.7	L678 L679 R684 I685 H686 A779 T782 I795	L678-T682 WeakPolarHBondContact O-CB 3.35Å; L678-T682 PolarHBondContact O-N 3.02Å; L678-T682 PolarHBondContact O-OG1 3.07Å; L679-T682 PolarHBondContact O-N 3.47Å; T682-R684 VanDerWaalsContact C-N 3.35Å; T682-R684 PolarHBondContact O-N 3.44Å; T682-I685 PolarHBondContact O-N 2.96Å; T682-I685 VanDerWaalsContact O-N 3.13Å; T682-H686 PolarHBondContact O-N 2.9Å; T682-A779 HydrophobicContact CG2-CB 4.4Å; T682-T782 HydrophobicContact CG2-CG2 4.36Å; T682-I795 HydrophobicContact CG2-CG2 4.44Å; T682-I795 WeakPolarHBondContact OG1-CG2 3.44Å
683	N	86.8	Confident	84	Confident	39 Å²	39	33.6 Å²	33.6	21%	0.209	17%	0.165	C	C	.	.	H	α-helix	trans	-62	-39.4	174.8	-174.5	-0.1	0	0	0	111.7	L679 I685 H686 R687	L679-N683 WeakPolarHBondContact O-CB 3.32Å; L679-N683 PolarHBondContact O-N 2.9Å; N683-I685 PolarHBondContact O-N 3.49Å; N683-H686 PolarHBondContact O-N 3.28Å; N683-R687 WeakPolarHBondContact O-CB 3.3Å; N683-R687 WeakPolarHBondContact O-CG 3.47Å; N683-R687 PolarHBondContact O-N 3.39Å; N683-R687 WeakPolarHBondContact OD1-CD 3.33Å
684	R	85.1	Confident	82.8	Confident	59 Å²	59	39.2 Å²	39.2	22%	0.223	19%	0.19	C	C	.	.	H	α-helix	trans	-55.1	-49	169.7	174.8	-164.8	172	-160.6	-10.4	111.5	T680 K681 T682 I688	T680-R684 WeakPolarHBondContact O-CB 3.27Å; T680-R684 PolarHBondContact O-N 2.88Å; K681-R684 WeakPolarHBondContact O-CB 3.49Å; T682-R684 VanDerWaalsContact C-N 3.35Å; T682-R684 PolarHBondContact O-N 3.44Å; R684-I688 HydrophobicContact CG-CD1 3.9Å; R684-I688 WeakPolarHBondContact O-CD1 3.48Å; R684-I688 VanDerWaalsContact O-CG1 3.25Å; R684-I688 WeakPolarHBondContact O-CG1 3.46Å; R684-I688 PolarHBondContact O-N 3.27Å; R684-I688 VanDerWaalsContact O-N 3.09Å
685	I	82.8	Confident	81.7	Confident	25 Å²	25	41.4 Å²	41.4	13%	0.128	21%	0.205	C	C	.	.	H	α-helix	trans	-62.9	-47.5	179	-65	165.2	0	0	0	110.3	K681 T682 N683 R687 I688 F689 T782 V785 I795	K681-I685 WeakPolarHBondContact O-CG1 3.38Å; K681-I685 PolarHBondContact O-N 3.43Å; T682-I685 PolarHBondContact O-N 2.96Å; T682-I685 VanDerWaalsContact O-N 3.13Å; N683-I685 PolarHBondContact O-N 3.49Å; I685-R687 PolarHBondContact O-N 2.86Å; I685-I688 PolarHBondContact O-N 3.18Å; I685-F689 PolarHBondContact O-N 3.21Å; I685-F689 VanDerWaalsContact O-N 3.09Å; I685-T782 HydrophobicContact CB-CG2 4.27Å; I685-T782 HydrophobicContact CG2-CG2 3.86Å; I685-V785 HydrophobicContact CG2-CG2 4.18Å; I685-I795 HydrophobicContact CD1-CD1 4.1Å
686	H	82.1	Confident	80.3	Confident	32 Å²	32	47.2 Å²	47.2	15%	0.148	24%	0.241	C	C	.	.	H	α-helix	trans	-57.6	-48.9	178.7	-178.2	57.7	0	0	0	112.3	T682 N683 I688 F689 E690 Y778 T782	T682-H686 PolarHBondContact O-N 2.9Å; N683-H686 PolarHBondContact O-N 3.28Å; H686-I688 PolarHBondContact O-N 2.99Å; H686-F689 PolarHBondContact O-N 3.01Å; H686-E690 VanDerWaalsContact O-CB 3.26Å; H686-E690 WeakPolarHBondContact O-CB 3.42Å; H686-E690 PolarHBondContact O-N 3.24Å; H686-Y778 HydrophobicContact CB-CD1 4.24Å; H686-Y778 AromaticContact CD2-CD1 3.8Å; H686-Y778 AromaticContact CD2-CE1 3.66Å; H686-T782 HydrophobicContact CB-CG2 3.71Å
687	R	80.4	Confident	79	Confident	55 Å²	55	51.6 Å²	51.6	21%	0.208	27%	0.268	C	S	.	.	H	α-helix	trans	-64.5	-37.5	179.3	-78.8	169.2	43.2	-115	-18.3	113.5	N683 I685 Q691 R700 F701	N683-R687 WeakPolarHBondContact O-CB 3.3Å; N683-R687 WeakPolarHBondContact O-CG 3.47Å; N683-R687 PolarHBondContact O-N 3.39Å; N683-R687 WeakPolarHBondContact OD1-CD 3.33Å; I685-R687 PolarHBondContact O-N 2.86Å; R687-Q691 VanDerWaalsContact O-CB 3.29Å; R687-Q691 WeakPolarHBondContact O-CB 3.34Å; R687-Q691 PolarHBondContact O-N 2.85Å; R687-Q691 VanDerWaalsContact O-N 3.1Å; R687-R700 PolarHBondContact NH2-O 2.92Å; R687-F701 PolarHBondContact NH1-O 3.45Å; R687-F701 VanDerWaalsContact NH1-O 3.08Å; R687-F701 PolarHBondContact NH2-O 2.87Å
688	I	78.8	Confident	77.6	Confident	59 Å²	59	55.6 Å²	55.6	30%	0.303	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-45.9	175	-72.2	167.4	0	0	0	110.3	R684 I685 H686 G692 I702	R684-I688 HydrophobicContact CG-CD1 3.9Å; R684-I688 WeakPolarHBondContact O-CD1 3.48Å; R684-I688 VanDerWaalsContact O-CG1 3.25Å; R684-I688 WeakPolarHBondContact O-CG1 3.46Å; R684-I688 PolarHBondContact O-N 3.27Å; R684-I688 VanDerWaalsContact O-N 3.09Å; I685-I688 PolarHBondContact O-N 3.18Å; H686-I688 PolarHBondContact O-N 2.99Å; I688-G692 PolarHBondContact O-N 3.46Å; I688-G692 VanDerWaalsContact O-N 3.1Å; I688-I702 HydrophobicContact CD1-CD1 4.35Å; I688-I702 HydrophobicContact CG1-CD1 3.81Å; I688-I702 HydrophobicContact CG1-CG1 4.46Å
689	F	75.6	Confident	76.5	Confident	67 Å²	67	56.3 Å²	56.3	29%	0.294	31%	0.305	S	S	.	.	H	α-helix	trans	-71.4	-46.7	-179.2	-171.9	-118	0	0	0	112.6	I685 H686 G692 K693 V785	I685-F689 PolarHBondContact O-N 3.21Å; I685-F689 VanDerWaalsContact O-N 3.09Å; H686-F689 PolarHBondContact O-N 3.01Å; F689-G692 PolarHBondContact O-N 2.94Å; F689-K693 PolarHBondContact O-N 2.97Å; F689-V785 HydrophobicContact CB-CG2 4.18Å; F689-V785 HydrophobicContact CD1-CG2 4.1Å; F689-V785 HydrophobicContact CD2-CG2 4.17Å; F689-V785 HydrophobicContact CG-CG2 3.91Å
690	E	76.4	Confident	75.5	Confident	51 Å²	51	65.9 Å²	65.9	24%	0.238	34%	0.34	C	S	.	.	H	α-helix	trans	-71.3	-36	-174.5	-174.7	56.4	-152	0	0	113	H686 K693 K694	H686-E690 VanDerWaalsContact O-CB 3.26Å; H686-E690 WeakPolarHBondContact O-CB 3.42Å; H686-E690 PolarHBondContact O-N 3.24Å; E690-K693 WeakPolarHBondContact OE2-CE 3.17Å; E690-K693 IonicContact OE2-NZ 2.7Å; E690-K693 PolarHBondContact OE2-NZ 2.98Å; E690-K694 WeakPolarHBondContact OE1-CE 3.27Å; E690-K694 IonicContact OE1-NZ 2.7Å; E690-K694 PolarHBondContact OE1-NZ 3.42Å
691	Q	71.4	Confident	74.7	Confident	62 Å²	62	72 Å²	72	29%	0.29	37%	0.367	S	S	.	.	H	α-helix	trans	-74.2	-32.9	170.3	-172.8	164.9	-31.6	0	0	111.6	R687 K693 K694 S695 T697 P699	R687-Q691 VanDerWaalsContact O-CB 3.29Å; R687-Q691 WeakPolarHBondContact O-CB 3.34Å; R687-Q691 PolarHBondContact O-N 2.85Å; R687-Q691 VanDerWaalsContact O-N 3.1Å; Q691-K693 PolarHBondContact O-N 3.09Å; Q691-K694 CarbonylContact O-C 3.6Å; Q691-K694 WeakPolarHBondContact O-CA 3.48Å; Q691-K694 PolarHBondContact O-N 3.49Å; Q691-S695 PolarHBondContact O-N 3.34Å; Q691-T697 PolarHBondContact NE2-O 3.34Å; Q691-P699 HydrophobicContact CB-CG 3.8Å; Q691-P699 HydrophobicContact CG-CG 4.11Å; Q691-P699 VanDerWaalsContact OE1-CA 3.3Å
692	G	66.8	Low	74.1	Confident	46 Å²	46	74.3 Å²	74.3	47%	0.474	38%	0.379	S	S	.	.	H	α-helix	trans	-61.2	-22.2	175.4	0	0	0	0	0	114.5	I688 F689 K694	I688-G692 PolarHBondContact O-N 3.46Å; I688-G692 VanDerWaalsContact O-N 3.1Å; F689-G692 PolarHBondContact O-N 2.94Å; G692-K694 VanDerWaalsContact C-N 3.33Å
693	K	70.2	Confident	73.8	Confident	131 Å²	131	77.5 Å²	77.5	57%	0.57	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-20.2	169.2	-63	172	-170.2	169.3	0	113.9	F689 E690 Q691	F689-K693 PolarHBondContact O-N 2.97Å; E690-K693 WeakPolarHBondContact OE2-CE 3.17Å; E690-K693 IonicContact OE2-NZ 2.7Å; E690-K693 PolarHBondContact OE2-NZ 2.98Å; Q691-K693 PolarHBondContact O-N 3.09Å
694	K	67.4	Low	73.4	Confident	159 Å²	159	79.2 Å²	79.2	69%	0.691	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.9	-23.7	-165.4	-70.3	169.8	174.5	160.8	0	113.7	E690 Q691 G692	E690-K694 WeakPolarHBondContact OE1-CE 3.27Å; E690-K694 IonicContact OE1-NZ 2.7Å; E690-K694 PolarHBondContact OE1-NZ 3.42Å; Q691-K694 CarbonylContact O-C 3.6Å; Q691-K694 WeakPolarHBondContact O-CA 3.48Å; Q691-K694 PolarHBondContact O-N 3.49Å; G692-K694 VanDerWaalsContact C-N 3.33Å
695	S	67.6	Low	73.3	Confident	51 Å²	51	79.3 Å²	79.3	36%	0.357	43%	0.428	S	S	.	.			trans	-159	151.3	178.3	-170.5	0	0	0	0	111.7	Q691 T697	Q691-S695 PolarHBondContact O-N 3.34Å; S695-T697 PolarHBondContact O-N 3.38Å; S695-T697 PolarHBondContact OG-N 3.03Å; S695-T697 PolarHBondContact OG-OG1 3.31Å
696	V	62.8	Low	73.4	Confident	126 Å²	126	79.3 Å²	79.3	76%	0.764	43%	0.43	S	S	*	.	S	Bend	trans	-79.1	-7.8	170.4	-166.7	0	0	0	0	111.5	F868	V696-F868 HydrophobicContact CG1-CD1 4.36Å
697	T	66.8	Low	73.6	Confident	92 Å²	92	78.2 Å²	78.2	56%	0.564	43%	0.425	S	S	*	.	S	Bend	trans	-76.7	140.5	177.7	60.2	0	0	0	0	112.5	Q691 S695	Q691-T697 PolarHBondContact NE2-O 3.34Å; S695-T697 PolarHBondContact O-N 3.38Å; S695-T697 PolarHBondContact OG-N 3.03Å; S695-T697 PolarHBondContact OG-OG1 3.31Å
698	A	61.1	Low	74	Confident	85 Å²	85	77.6 Å²	77.6	70%	0.702	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-70.2	134.8	-179.8	0	0	0	0	0	112.2
699	P	67.9	Low	74.5	Confident	16 Å²	16	79.8 Å²	79.8	10%	0.104	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-55	136.3	175.5	-26	27.6	0	0	0	115.1	Q691 I702	Q691-P699 HydrophobicContact CB-CG 3.8Å; Q691-P699 HydrophobicContact CG-CG 4.11Å; Q691-P699 VanDerWaalsContact OE1-CA 3.3Å; P699-I702 HydrophobicContact CB-CD1 3.69Å; P699-I702 HydrophobicContact CB-CG1 4.07Å; P699-I702 VanDerWaalsContact CD-CD1 3.49Å; P699-I702 HydrophobicContact CG-CD1 3.7Å; P699-I702 WeakPolarHBondContact O-CG1 3.36Å
700	R	71.6	Confident	75.2	Confident	216 Å²	216	79.3 Å²	79.3	82%	0.815	44%	0.441	S	S	*	.	S	Bend	trans	-56.2	142	162.8	-65.7	-177.5	177.5	-177.8	-1.1	109.1	R687	R687-R700 PolarHBondContact NH2-O 2.92Å
701	F	72.6	Confident	75.8	Confident	135 Å²	135	76.9 Å²	76.9	59%	0.592	43%	0.43	S	S	*	.	S	Bend	trans	69.6	45.7	-175.5	-41.7	-66.9	0	0	0	116.4	R687 S706 I710	R687-F701 PolarHBondContact NH1-O 3.45Å; R687-F701 VanDerWaalsContact NH1-O 3.08Å; R687-F701 PolarHBondContact NH2-O 2.87Å; F701-S706 WeakPolarHBondContact CA-OG 3.34Å; F701-I710 HydrophobicContact CB-CD1 4.43Å
702	I	75.3	Confident	76.8	Confident	54 Å²	54	78.5 Å²	78.5	28%	0.277	44%	0.436	S	S	.	.			trans	-98.6	-18.1	167.3	-71	175	0	0	0	112.7	I688 P699 Q707	I688-I702 HydrophobicContact CD1-CD1 4.35Å; I688-I702 HydrophobicContact CG1-CD1 3.81Å; I688-I702 HydrophobicContact CG1-CG1 4.46Å; P699-I702 HydrophobicContact CB-CD1 3.69Å; P699-I702 HydrophobicContact CB-CG1 4.07Å; P699-I702 VanDerWaalsContact CD-CD1 3.49Å; P699-I702 HydrophobicContact CG-CD1 3.7Å; P699-I702 WeakPolarHBondContact O-CG1 3.36Å; I702-Q707 PolarHBondContact O-NE2 3.39Å
703	S	79.8	Confident	78	Confident	68 Å²	68	79.9 Å²	79.9	48%	0.476	44%	0.439	S	S	.	.	S	Bend	trans	-58.3	139.6	-179.8	177.7	0	0	0	0	112.1	A705 S706 Q707	S703-A705 PolarHBondContact O-N 3.11Å; S703-S706 PolarHBondContact N-OG 3.34Å; S703-S706 PolarHBondContact O-N 3.33Å; S703-S706 PolarHBondContact O-OG 2.88Å; S703-Q707 PolarHBondContact O-N 3.25Å; S703-Q707 VanDerWaalsContact O-N 3.1Å
704	P	79.1	Confident	79.1	Confident	74 Å²	74	75.6 Å²	75.6	48%	0.481	42%	0.422	S	S	.	.	H	α-helix	trans	-52	-40.5	175.3	-27.6	35.5	0	0	0	113.2	E632 S706 Q707 L708	E632-P704 HydrophobicContact CG-CB 4.27Å; P704-S706 VanDerWaalsContact C-N 3.34Å; P704-S706 PolarHBondContact O-N 2.99Å; P704-Q707 WeakPolarHBondContact O-CB 3.41Å; P704-Q707 PolarHBondContact O-N 3.1Å; P704-Q707 VanDerWaalsContact O-N 3.07Å; P704-L708 PolarHBondContact O-N 2.85Å
705	A	82.6	Confident	80.3	Confident	62 Å²	62	68.1 Å²	68.1	51%	0.512	39%	0.389	S	S	.	.	H	α-helix	trans	-58.6	-43.9	175.4	0	0	0	0	0	112.1	S703 Q707 L708 V709	S703-A705 PolarHBondContact O-N 3.11Å; A705-Q707 VanDerWaalsContact C-N 3.3Å; A705-Q707 PolarHBondContact O-N 2.85Å; A705-L708 PolarHBondContact O-N 3.49Å; A705-V709 WeakPolarHBondContact O-CG2 3.26Å; A705-V709 PolarHBondContact O-N 2.91Å
706	S	84.8	Confident	81.5	Confident	24 Å²	24	68.7 Å²	68.7	17%	0.168	39%	0.394	C	S	.	.	H	α-helix	trans	-68	-26.5	175.9	59.3	0	0	0	0	113.6	F701 S703 P704 I710	F701-S706 WeakPolarHBondContact CA-OG 3.34Å; S703-S706 PolarHBondContact N-OG 3.34Å; S703-S706 PolarHBondContact O-N 3.33Å; S703-S706 PolarHBondContact O-OG 2.88Å; P704-S706 VanDerWaalsContact C-N 3.34Å; P704-S706 PolarHBondContact O-N 2.99Å; S706-I710 WeakPolarHBondContact O-CD1 3.45Å; S706-I710 VanDerWaalsContact O-CG1 3.24Å; S706-I710 WeakPolarHBondContact O-CG1 3.33Å; S706-I710 PolarHBondContact O-N 3.11Å
707	Q	86.2	Confident	82.8	Confident	9 Å²	9	66.3 Å²	66.3	4%	0.042	38%	0.379	C	S	.	.	H	α-helix	trans	-74.7	-40.6	174.4	-64.3	174.9	38.6	0	0	111.3	M633 T680 I702 S703 P704 A705 I710 T711	M633-Q707 HydrophobicContact CG-CB 4.14Å; M633-Q707 HydrophobicContact SD-CB 3.79Å; T680-Q707 HydrophobicContact CG2-CB 3.82Å; T680-Q707 HydrophobicContact CG2-CG 4.22Å; I702-Q707 PolarHBondContact O-NE2 3.39Å; S703-Q707 PolarHBondContact O-N 3.25Å; S703-Q707 VanDerWaalsContact O-N 3.1Å; P704-Q707 WeakPolarHBondContact O-CB 3.41Å; P704-Q707 PolarHBondContact O-N 3.1Å; P704-Q707 VanDerWaalsContact O-N 3.07Å; A705-Q707 VanDerWaalsContact C-N 3.3Å; A705-Q707 PolarHBondContact O-N 2.85Å; Q707-I710 PolarHBondContact O-N 3.42Å; Q707-T711 WeakPolarHBondContact O-CB 3.32Å; Q707-T711 PolarHBondContact O-N 2.94Å; Q707-T711 PolarHBondContact O-OG1 3.21Å
708	L	88.6	Confident	84	Confident	43 Å²	43	62.5 Å²	62.5	23%	0.225	36%	0.355	C	S	.	.	H	α-helix	trans	-61.6	-47	172.5	-71.1	177.3	0	0	0	111.5	E632 M633 V636 P704 A705 I710 T711 F712	E632-L708 HydrophobicContact CB-CD1 3.96Å; E632-L708 HydrophobicContact CB-CD2 3.89Å; E632-L708 HydrophobicContact CB-CG 4.1Å; E632-L708 HydrophobicContact CG-CD1 4.3Å; M633-L708 HydrophobicContact SD-CD2 4.32Å; V636-L708 HydrophobicContact CG2-CD2 3.91Å; P704-L708 PolarHBondContact O-N 2.85Å; A705-L708 PolarHBondContact O-N 3.49Å; L708-I710 PolarHBondContact O-N 3.4Å; L708-T711 PolarHBondContact O-N 3.24Å; L708-T711 VanDerWaalsContact O-N 3.1Å; L708-F712 HydrophobicContact CB-CD2 4.22Å; L708-F712 HydrophobicContact CB-CE2 4.21Å; L708-F712 HydrophobicContact CD2-CE2 4.13Å; L708-F712 VanDerWaalsContact O-CD2 3.24Å; L708-F712 WeakPolarHBondContact O-CD2 3.25Å; L708-F712 PolarHBondContact O-N 2.9Å
709	V	90.5	Very high	85.4	Confident	105 Å²	105	61.2 Å²	61.2	64%	0.636	34%	0.336	S	S	*	.	H	α-helix	trans	-58.9	-43.5	177.9	170.9	0	0	0	0	112	A705 T711 S713	A705-V709 WeakPolarHBondContact O-CG2 3.26Å; A705-V709 PolarHBondContact O-N 2.91Å; V709-T711 VanDerWaalsContact C-N 3.34Å; V709-T711 PolarHBondContact O-N 3.03Å; V709-S713 WeakPolarHBondContact O-CB 3.37Å; V709-S713 PolarHBondContact O-N 2.94Å
710	I	88.9	Confident	86.4	Confident	56 Å²	56	65.7 Å²	65.7	29%	0.287	36%	0.358	S	S	.	.	H	α-helix	trans	-62.1	-42.6	175	-69.6	165.3	0	0	0	111.1	T680 F701 S706 Q707 L708 S713 L714	T680-I710 HydrophobicContact CG2-CG2 4.43Å; F701-I710 HydrophobicContact CB-CD1 4.43Å; S706-I710 WeakPolarHBondContact O-CD1 3.45Å; S706-I710 VanDerWaalsContact O-CG1 3.24Å; S706-I710 WeakPolarHBondContact O-CG1 3.33Å; S706-I710 PolarHBondContact O-N 3.11Å; Q707-I710 PolarHBondContact O-N 3.42Å; L708-I710 PolarHBondContact O-N 3.4Å; I710-S713 PolarHBondContact O-N 2.67Å; I710-L714 HydrophobicContact CG2-CD1 4.48Å; I710-L714 WeakPolarHBondContact O-CG 3.47Å; I710-L714 PolarHBondContact O-N 3.43Å; I710-L714 VanDerWaalsContact O-N 3.15Å
711	T	90.9	Very high	87.2	Confident	0 Å²	0	57 Å²	57	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-70.4	-45.5	-176.4	-54.2	0	0	0	0	112	M633 V636 A676 A677 T680 Q707 L708 V709 S713 L714 I715	M633-T711 HydrophobicContact CE-CG2 4.12Å; M633-T711 VanDerWaalsContact CE-OG1 3.3Å; M633-T711 WeakPolarHBondContact CE-OG1 3.31Å; V636-T711 HydrophobicContact CG1-CG2 4.07Å; A676-T711 HydrophobicContact CB-CG2 4.01Å; A677-T711 HydrophobicContact CB-CG2 4.36Å; T680-T711 VanDerWaalsContact CB-OG1 3.31Å; T680-T711 WeakPolarHBondContact CB-OG1 3.43Å; T680-T711 WeakPolarHBondContact CG2-OG1 3.34Å; T680-T711 PolarHBondContact OG1-OG1 3.48Å; Q707-T711 WeakPolarHBondContact O-CB 3.32Å; Q707-T711 PolarHBondContact O-N 2.94Å; Q707-T711 PolarHBondContact O-OG1 3.21Å; L708-T711 PolarHBondContact O-N 3.24Å; L708-T711 VanDerWaalsContact O-N 3.1Å; V709-T711 VanDerWaalsContact C-N 3.34Å; V709-T711 PolarHBondContact O-N 3.03Å; T711-S713 VanDerWaalsContact C-N 3.33Å; T711-L714 PolarHBondContact O-N 3.14Å; T711-I715 HydrophobicContact CG2-CD1 4.02Å; T711-I715 WeakPolarHBondContact O-CG1 3.37Å; T711-I715 PolarHBondContact O-N 3.01Å
712	F	91.6	Very high	87.9	Confident	96 Å²	96	50.9 Å²	50.9	42%	0.421	31%	0.31	S	S	.	.	H	α-helix	trans	-66.1	-35	174.3	-73	-60.4	0	0	0	112	L708 L714 I715 S716	L708-F712 HydrophobicContact CB-CD2 4.22Å; L708-F712 HydrophobicContact CB-CE2 4.21Å; L708-F712 HydrophobicContact CD2-CE2 4.13Å; L708-F712 VanDerWaalsContact O-CD2 3.24Å; L708-F712 WeakPolarHBondContact O-CD2 3.25Å; L708-F712 PolarHBondContact O-N 2.9Å; F712-L714 VanDerWaalsContact C-N 3.34Å; F712-L714 PolarHBondContact O-N 3.41Å; F712-I715 HydrophobicContact CD1-CD1 4.3Å; F712-I715 PolarHBondContact O-N 3.26Å; F712-S716 WeakPolarHBondContact O-CB 3.24Å; F712-S716 PolarHBondContact O-N 3.18Å; F712-S716 PolarHBondContact O-OG 3.34Å; F712-S716 VanDerWaalsContact O-OG 3.05Å
713	S	92.3	Very high	88.5	Confident	76 Å²	76	55 Å²	55	53%	0.531	33%	0.326	S	S	.	.	H	α-helix	trans	-59.4	-42.2	173.3	-175.2	0	0	0	0	112.4	V709 I710 T711 S716	V709-S713 WeakPolarHBondContact O-CB 3.37Å; V709-S713 PolarHBondContact O-N 2.94Å; I710-S713 PolarHBondContact O-N 2.67Å; T711-S713 VanDerWaalsContact C-N 3.33Å; S713-S716 PolarHBondContact O-N 2.82Å
714	L	92.6	Very high	88.9	Confident	40 Å²	40	56.8 Å²	56.8	21%	0.209	33%	0.329	C	S	.	.	H	α-helix	trans	-65.3	-42.7	173.4	-67.2	169	0	0	0	112.3	A676 L679 I710 T711 F712 S716 V717 Y767 L771	A676-L714 HydrophobicContact CB-CB 3.95Å; A676-L714 HydrophobicContact CB-CD1 4.24Å; L679-L714 HydrophobicContact CD2-CD1 4.02Å; I710-L714 HydrophobicContact CG2-CD1 4.48Å; I710-L714 WeakPolarHBondContact O-CG 3.47Å; I710-L714 PolarHBondContact O-N 3.43Å; I710-L714 VanDerWaalsContact O-N 3.15Å; T711-L714 PolarHBondContact O-N 3.14Å; F712-L714 VanDerWaalsContact C-N 3.34Å; F712-L714 PolarHBondContact O-N 3.41Å; L714-S716 VanDerWaalsContact C-N 3.32Å; L714-S716 PolarHBondContact O-N 3.27Å; L714-V717 WeakPolarHBondContact O-CB 3.48Å; L714-V717 PolarHBondContact O-N 3.29Å; L714-Y767 PolarHBondContact O-OH 3.03Å; L714-L771 HydrophobicContact CD2-CD2 4.34Å
715	I	93.4	Very high	89.2	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-65	-36.1	178	-66	161.8	0	0	0	111.5	V636 F673 A676 T711 F712 V717 Q718 L719	V636-I715 HydrophobicContact CG1-CD1 4.47Å; F673-I715 HydrophobicContact CD1-CD1 3.72Å; F673-I715 HydrophobicContact CD2-CD1 4.24Å; F673-I715 HydrophobicContact CD2-CG1 4.45Å; F673-I715 HydrophobicContact CD2-CG2 3.94Å; F673-I715 HydrophobicContact CE1-CD1 3.92Å; F673-I715 HydrophobicContact CE2-CD1 4.43Å; F673-I715 HydrophobicContact CE2-CG2 3.55Å; F673-I715 HydrophobicContact CG-CD1 3.9Å; F673-I715 HydrophobicContact CG-CG1 4.46Å; F673-I715 HydrophobicContact CZ-CD1 4.27Å; F673-I715 HydrophobicContact CZ-CG2 3.95Å; A676-I715 HydrophobicContact CB-CD1 4.41Å; A676-I715 HydrophobicContact CB-CG1 3.94Å; T711-I715 HydrophobicContact CG2-CD1 4.02Å; T711-I715 WeakPolarHBondContact O-CG1 3.37Å; T711-I715 PolarHBondContact O-N 3.01Å; F712-I715 HydrophobicContact CD1-CD1 4.3Å; F712-I715 PolarHBondContact O-N 3.26Å; I715-V717 PolarHBondContact O-N 3.36Å; I715-Q718 PolarHBondContact O-N 3.16Å; I715-Q718 VanDerWaalsContact O-N 3.13Å; I715-L719 HydrophobicContact CG2-CD1 4.06Å; I715-L719 HydrophobicContact CG2-CG 4.4Å; I715-L719 PolarHBondContact O-N 3.11Å
716	S	91.6	Very high	89.3	Confident	64 Å²	64	55.2 Å²	55.2	45%	0.448	30%	0.302	S	S	.	.	H	α-helix	trans	-61.1	-26.9	176.4	-69.5	0	0	0	0	113.5	F712 S713 L714 L719 L720	F712-S716 WeakPolarHBondContact O-CB 3.24Å; F712-S716 PolarHBondContact O-N 3.18Å; F712-S716 PolarHBondContact O-OG 3.34Å; F712-S716 VanDerWaalsContact O-OG 3.05Å; S713-S716 PolarHBondContact O-N 2.82Å; L714-S716 VanDerWaalsContact C-N 3.32Å; L714-S716 PolarHBondContact O-N 3.27Å; S716-L719 PolarHBondContact O-N 3.35Å; S716-L720 VanDerWaalsContact O-CB 3.31Å; S716-L720 WeakPolarHBondContact O-CB 3.5Å; S716-L720 PolarHBondContact O-N 3.23Å
717	V	91.6	Very high	89.3	Confident	76 Å²	76	58.3 Å²	58.3	46%	0.461	33%	0.329	S	S	.	.	H	α-helix	trans	-65.9	-45.1	173.8	179.8	0	0	0	0	110.9	L714 I715 G721 Y767	L714-V717 WeakPolarHBondContact O-CB 3.48Å; L714-V717 PolarHBondContact O-N 3.29Å; I715-V717 PolarHBondContact O-N 3.36Å; V717-G721 PolarHBondContact O-N 3.38Å; V717-G721 VanDerWaalsContact O-N 3.08Å; V717-Y767 HydrophobicContact CB-CE1 4.15Å; V717-Y767 HydrophobicContact CB-CE2 4.37Å; V717-Y767 HydrophobicContact CG1-CD2 4.35Å; V717-Y767 HydrophobicContact CG1-CE1 4.31Å; V717-Y767 HydrophobicContact CG1-CE2 3.86Å
718	Q	90.8	Very high	89.4	Confident	12 Å²	12	63.7 Å²	63.7	6%	0.056	36%	0.363	C	S	.	.	H	α-helix	trans	-65.7	-41.8	175.4	-175.2	74.3	52.2	0	0	111.4	L669 C672 I715 G721 V722 S764 Y767	L669-Q718 HydrophobicContact CD2-CB 4.04Å; L669-Q718 HydrophobicContact CD2-CG 3.67Å; L669-Q718 HydrophobicContact CG-CG 4.29Å; C672-Q718 HydrophobicContact CB-CB 4.11Å; C672-Q718 HydrophobicContact CB-CG 4.05Å; I715-Q718 PolarHBondContact O-N 3.16Å; I715-Q718 VanDerWaalsContact O-N 3.13Å; Q718-G721 PolarHBondContact O-N 2.97Å; Q718-V722 WeakPolarHBondContact O-CG2 3.48Å; Q718-V722 PolarHBondContact O-N 2.72Å; Q718-S764 PolarHBondContact NE2-O 2.86Å; Q718-Y767 HydrophobicContact CB-CD1 4.07Å; Q718-Y767 HydrophobicContact CB-CE1 4.34Å
719	L	89.9	Confident	89.1	Confident	58 Å²	58	63.7 Å²	63.7	30%	0.304	36%	0.363	S	S	.	.	H	α-helix	trans	-59.8	-48.5	176.7	-74.5	167.3	0	0	0	111.7	L669 I715 S716 G721 V722 F723	L669-L719 HydrophobicContact CD1-CD2 3.64Å; L669-L719 HydrophobicContact CD2-CD2 3.61Å; L669-L719 HydrophobicContact CD2-CG 3.73Å; L669-L719 HydrophobicContact CG-CD2 4.29Å; I715-L719 HydrophobicContact CG2-CD1 4.06Å; I715-L719 HydrophobicContact CG2-CG 4.4Å; I715-L719 PolarHBondContact O-N 3.11Å; S716-L719 PolarHBondContact O-N 3.35Å; L719-G721 VanDerWaalsContact C-N 3.31Å; L719-G721 PolarHBondContact O-N 3.22Å; L719-V722 PolarHBondContact O-N 2.83Å; L719-F723 HydrophobicContact CB-CE2 4.46Å; L719-F723 WeakPolarHBondContact O-CD2 3.35Å; L719-F723 PolarHBondContact O-N 3.34Å
720	L	90.4	Very high	88.8	Confident	110 Å²	110	62.8 Å²	62.8	58%	0.576	36%	0.359	S	S	*	.	H	α-helix	trans	-60.8	-40.4	178	-177.4	63.6	0	0	0	111.7	S716 F723 L724	S716-L720 VanDerWaalsContact O-CB 3.31Å; S716-L720 WeakPolarHBondContact O-CB 3.5Å; S716-L720 PolarHBondContact O-N 3.23Å; L720-F723 PolarHBondContact O-N 3.06Å; L720-L724 HydrophobicContact CD1-CD1 4.48Å; L720-L724 HydrophobicContact CG-CD1 4.13Å; L720-L724 WeakPolarHBondContact O-CB 3.39Å; L720-L724 WeakPolarHBondContact O-CG 3.37Å; L720-L724 PolarHBondContact O-N 3.36Å
721	G	88.1	Confident	88.5	Confident	34 Å²	34	61.3 Å²	61.3	35%	0.351	35%	0.353	S	S	.	.	H	α-helix	trans	-59.9	-43.4	173.7	0	0	0	0	0	113.1	V717 Q718 L719 W725	V717-G721 PolarHBondContact O-N 3.38Å; V717-G721 VanDerWaalsContact O-N 3.08Å; Q718-G721 PolarHBondContact O-N 2.97Å; L719-G721 VanDerWaalsContact C-N 3.31Å; L719-G721 PolarHBondContact O-N 3.22Å; G721-W725 PolarHBondContact O-N 2.66Å
722	V	87.1	Confident	88.2	Confident	5 Å²	5	65.3 Å²	65.3	3%	0.03	37%	0.372	C	S	.	.	H	α-helix	trans	-66.3	-41.6	176.6	171.6	0	0	0	0	111.9	I665 Q718 L719 W725 F726	I665-V722 HydrophobicContact CG1-CG1 4.04Å; Q718-V722 WeakPolarHBondContact O-CG2 3.48Å; Q718-V722 PolarHBondContact O-N 2.72Å; L719-V722 PolarHBondContact O-N 2.83Å; V722-W725 WeakPolarHBondContact O-CB 3.01Å; V722-W725 PolarHBondContact O-N 3.1Å; V722-F726 HydrophobicContact CG1-CD2 4.13Å; V722-F726 HydrophobicContact CG1-CE2 3.79Å; V722-F726 HydrophobicContact CG1-CZ 4.49Å; V722-F726 PolarHBondContact O-N 3.01Å; V722-F726 VanDerWaalsContact O-N 3.16Å
723	F	87.8	Confident	88	Confident	140 Å²	140	64.2 Å²	64.2	61%	0.614	37%	0.369	S	S	*	.	H	α-helix	trans	-65.9	-43	177	-75.7	-61.3	0	0	0	112.8	L719 L720 W725 F726 A727	L719-F723 HydrophobicContact CB-CE2 4.46Å; L719-F723 WeakPolarHBondContact O-CD2 3.35Å; L719-F723 PolarHBondContact O-N 3.34Å; L720-F723 PolarHBondContact O-N 3.06Å; F723-W725 PolarHBondContact O-N 3.46Å; F723-F726 PolarHBondContact O-N 3.09Å; F723-A727 PolarHBondContact O-N 2.72Å
724	L	88.3	Confident	87.7	Confident	106 Å²	106	63 Å²	63	56%	0.555	36%	0.359	S	S	*	.	H	α-helix	trans	-57.8	-38.3	171.9	-79.8	164.2	0	0	0	111.3	L720 A727 V728	L720-L724 HydrophobicContact CD1-CD1 4.48Å; L720-L724 HydrophobicContact CG-CD1 4.13Å; L720-L724 WeakPolarHBondContact O-CB 3.39Å; L720-L724 WeakPolarHBondContact O-CG 3.37Å; L720-L724 PolarHBondContact O-N 3.36Å; L724-A727 PolarHBondContact O-N 2.75Å; L724-V728 WeakPolarHBondContact O-CG2 3.35Å; L724-V728 PolarHBondContact O-N 3.23Å
725	W	84.8	Confident	87.3	Confident	51 Å²	51	63.1 Å²	63.1	19%	0.193	36%	0.361	C	S	.	.	H	α-helix	trans	-63.6	-46.1	179.5	-142	-19	0	0	0	113.2	G721 V722 F723 A727 V728 D729 S760 C763	G721-W725 PolarHBondContact O-N 2.66Å; V722-W725 WeakPolarHBondContact O-CB 3.01Å; V722-W725 PolarHBondContact O-N 3.1Å; F723-W725 PolarHBondContact O-N 3.46Å; W725-A727 PolarHBondContact O-N 2.87Å; W725-V728 PolarHBondContact O-N 2.9Å; W725-V728 VanDerWaalsContact O-N 3.11Å; W725-D729 PolarHBondContact O-N 3.5Å; W725-S760 WeakPolarHBondContact CH2-O 3.26Å; W725-S760 VanDerWaalsContact CZ2-CB 3.45Å; W725-C763 HydrophobicContact CH2-CB 3.67Å; W725-C763 HydrophobicContact CZ2-CB 4.16Å
726	F	85.7	Confident	86.7	Confident	52 Å²	52	65 Å²	65	23%	0.228	37%	0.371	C	S	.	.	H	α-helix	trans	-63.6	-25	178.3	-74.5	-45.2	0	0	0	113.4	R664 I665 V722 F723 P731	R664-F726 HydrophobicContact CB-CE1 4.1Å; R664-F726 HydrophobicContact CB-CZ 4.13Å; R664-F726 HydrophobicContact CG-CE1 4.25Å; R664-F726 HydrophobicContact CG-CZ 4.5Å; I665-F726 HydrophobicContact CD1-CE2 3.85Å; I665-F726 HydrophobicContact CD1-CZ 3.92Å; I665-F726 HydrophobicContact CG1-CE2 3.57Å; I665-F726 HydrophobicContact CG1-CZ 3.66Å; V722-F726 HydrophobicContact CG1-CD2 4.13Å; V722-F726 HydrophobicContact CG1-CE2 3.79Å; V722-F726 HydrophobicContact CG1-CZ 4.49Å; V722-F726 PolarHBondContact O-N 3.01Å; V722-F726 VanDerWaalsContact O-N 3.16Å; F723-F726 PolarHBondContact O-N 3.09Å; F726-P731 HydrophobicContact CD1-CG 4.1Å; F726-P731 HydrophobicContact CE1-CB 4.37Å; F726-P731 HydrophobicContact CE1-CG 3.8Å
727	A	85.3	Confident	86.1	Confident	89 Å²	89	63.6 Å²	63.6	74%	0.736	36%	0.356	S	S	*	.	H	α-helix	trans	-79.5	-25.8	174.7	0	0	0	0	0	113.4	F723 L724 W725	F723-A727 PolarHBondContact O-N 2.72Å; L724-A727 PolarHBondContact O-N 2.75Å; W725-A727 PolarHBondContact O-N 2.87Å
728	V	86.3	Confident	85	Confident	123 Å²	123	61.5 Å²	61.5	75%	0.745	35%	0.35	S	S	*	.	H	α-helix	trans	-91.3	-35.9	179.3	173.5	0	0	0	0	112.1	L724 W725	L724-V728 WeakPolarHBondContact O-CG2 3.35Å; L724-V728 PolarHBondContact O-N 3.23Å; W725-V728 PolarHBondContact O-N 2.9Å; W725-V728 VanDerWaalsContact O-N 3.11Å
729	D	82.4	Confident	83.9	Confident	42 Å²	42	64.6 Å²	64.6	23%	0.225	37%	0.365	C	S	.	.	S	Bend	trans	-145.8	95.8	-168.8	173.4	30.6	0	0	0	110.3	R664 W725	R664-D729 IonicContact CZ-OD2 2.75Å; R664-D729 PolarHBondContact NH1-O 2.97Å; R664-D729 IonicContact NH1-OD2 2.73Å; R664-D729 IonicContact NH2-OD2 2.82Å; R664-D729 PolarHBondContact NH2-OD2 2.86Å; W725-D729 PolarHBondContact O-N 3.5Å
730	P	84.7	Confident	83	Confident	87 Å²	87	63.8 Å²	63.8	57%	0.565	36%	0.359	S	S	*	.			trans	-74.3	136.7	-176	29.3	-33.8	0	0	0	112.1	H732	P730-H732 PolarHBondContact O-N 3.35Å; P730-H732 PolarHBondContact O-ND1 3Å
731	P	83.2	Confident	82.1	Confident	25 Å²	25	61.8 Å²	61.8	16%	0.162	34%	0.344	C	S	.	.			trans	-71.7	120.8	-174.5	31	-34	0	0	0	110.5	C660 S661 F726	C660-P731 HydrophobicContact CB-CB 4.4Å; S661-P731 WeakPolarHBondContact OG-CG 3.45Å; F726-P731 HydrophobicContact CD1-CG 4.1Å; F726-P731 HydrophobicContact CE1-CB 4.37Å; F726-P731 HydrophobicContact CE1-CG 3.8Å
732	H	84.4	Confident	81.6	Confident	83 Å²	83	62.8 Å²	62.8	38%	0.384	34%	0.343	S	S	.	.			trans	-131.6	170.6	177.5	67	-79.1	0	0	0	111.7	P730 D755	P730-H732 PolarHBondContact O-N 3.35Å; P730-H732 PolarHBondContact O-ND1 3Å; H732-D755 VanDerWaalsContact CE1-CB 3.44Å; H732-D755 WeakPolarHBondContact CE1-CB 3.4Å; H732-D755 IonicContact CE1-OD2 3.95Å; H732-D755 PolarHBondContact CE1-OD2 3.18Å; H732-D755 WeakPolarHBondContact NE2-CB 3.36Å; H732-D755 IonicContact NE2-OD2 3.35Å; H732-D755 PolarHBondContact O-N 3.48Å
733	I	87.9	Confident	81.1	Confident	73 Å²	73	71.3 Å²	71.3	37%	0.374	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	144.5	175.9	56.6	174.3	0	0	0	109.8	P655 L752	P655-I733 HydrophobicContact CB-CG2 4.33Å; I733-L752 HydrophobicContact CB-CD1 4.39Å
734	V	85.9	Confident	80.7	Confident	52 Å²	52	68.1 Å²	68.1	32%	0.315	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	144.2	179.4	65.5	0	0	0	0	109.9	K753 D755	V734-K753 HydrophobicContact CG1-CG 3.82Å; V734-K753 PolarHBondContact N-O 3.06Å; V734-K753 PolarHBondContact O-N 3.31Å; V734-K753 VanDerWaalsContact O-O 3.08Å; V734-D755 HydrophobicContact CG1-CB 4.04Å
735	V	84	Confident	80.4	Confident	42 Å²	42	63.2 Å²	63.2	26%	0.255	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.8	172.3	-175.8	0	0	0	0	108	I586 Y737 V751 L752	I586-V735 HydrophobicContact CD1-CG1 4.07Å; I586-V735 HydrophobicContact CD1-CG2 4.07Å; I586-V735 HydrophobicContact CG1-CG1 4.03Å; I586-V735 HydrophobicContact CG2-CG1 4.27Å; V735-Y737 HydrophobicContact CB-CE2 4.03Å; V735-Y737 HydrophobicContact CG1-CD1 4.25Å; V735-Y737 HydrophobicContact CG1-CD2 4.19Å; V735-Y737 HydrophobicContact CG1-CE1 3.76Å; V735-Y737 HydrophobicContact CG1-CE2 3.72Å; V735-Y737 HydrophobicContact CG1-CG 4.45Å; V735-Y737 VanDerWaalsContact CG1-CZ 3.49Å; V735-V751 WeakPolarHBondContact CA-O 3.18Å; V735-L752 HydrophobicContact CG2-CD1 3.94Å
736	D	80.8	Confident	80.2	Confident	42 Å²	42	65.3 Å²	65.3	23%	0.225	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	105.9	178.4	-168.5	-35.9	0	0	0	109.8	G738 E739 G750 V751 K753	D736-G738 VanDerWaalsContact C-N 3.34Å; D736-G738 WeakPolarHBondContact OD1-CA 3.07Å; D736-G738 PolarHBondContact OD1-N 2.89Å; D736-E739 PolarHBondContact OD1-N 3.31Å; D736-G750 CarbonylContact O-C 3.55Å; D736-G750 WeakPolarHBondContact O-CA 3.45Å; D736-V751 PolarHBondContact N-O 3.27Å; D736-V751 PolarHBondContact O-N 2.72Å; D736-K753 WeakPolarHBondContact OD2-CE 3.5Å; D736-K753 IonicContact OD2-NZ 3.99Å; D736-K753 PolarHBondContact OD2-NZ 3.31Å
737	Y	78.8	Confident	79.9	Confident	34 Å²	34	64.7 Å²	64.7	13%	0.133	36%	0.362	C	S	.	.	S	Bend	trans	-88.8	0.9	174.1	-60.4	-77.7	0	0	0	113.1	E571 I584 I586 V735 R741	E571-Y737 HydrophobicContact CB-CD2 4.49Å; E571-Y737 HydrophobicContact CB-CE2 4.06Å; E571-Y737 HydrophobicContact CG-CD2 4.04Å; E571-Y737 HydrophobicContact CG-CE2 3.71Å; I584-Y737 HydrophobicContact CB-CD1 4Å; I584-Y737 HydrophobicContact CB-CE1 4.01Å; I584-Y737 HydrophobicContact CD1-CD1 4.34Å; I584-Y737 HydrophobicContact CG2-CD1 3.96Å; I584-Y737 HydrophobicContact CG2-CE1 4.25Å; I586-Y737 HydrophobicContact CG1-CE1 4.5Å; V735-Y737 HydrophobicContact CB-CE2 4.03Å; V735-Y737 HydrophobicContact CG1-CD1 4.25Å; V735-Y737 HydrophobicContact CG1-CD2 4.19Å; V735-Y737 HydrophobicContact CG1-CE1 3.76Å; V735-Y737 HydrophobicContact CG1-CE2 3.72Å; V735-Y737 HydrophobicContact CG1-CG 4.45Å; V735-Y737 VanDerWaalsContact CG1-CZ 3.49Å; Y737-R741 WeakPolarHBondContact O-CB 3.34Å
738	G	69.1	Low	79.9	Confident	32 Å²	32	60.5 Å²	60.5	33%	0.33	33%	0.327	S	S	.	.	S	Bend	trans	-90	-50.1	-177.7	0	0	0	0	0	112.8	Y570 D736 Q740 R741	Y570-G738 VanDerWaalsContact OH-CA 3.3Å; Y570-G738 WeakPolarHBondContact OH-CA 3.18Å; D736-G738 VanDerWaalsContact C-N 3.34Å; D736-G738 WeakPolarHBondContact OD1-CA 3.07Å; D736-G738 PolarHBondContact OD1-N 2.89Å; G738-Q740 PolarHBondContact O-N 2.88Å; G738-R741 PolarHBondContact O-N 3.14Å
739	E	66.3	Low	79.8	Confident	77 Å²	77	60.1 Å²	60.1	36%	0.36	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.6	-175.9	-74.3	-175.8	136.9	0	0	113.9	D736 K753 R822	D736-E739 PolarHBondContact OD1-N 3.31Å; E739-K753 IonicContact OE1-NZ 3.32Å; E739-K753 IonicContact OE2-NZ 3.45Å; E739-K753 PolarHBondContact OE2-NZ 3.38Å; E739-R822 IonicContact OE1-CZ 2.82Å; E739-R822 IonicContact OE1-NH1 2.66Å; E739-R822 PolarHBondContact OE1-NH1 3.21Å
740	Q	70.9	Confident	79.8	Confident	40 Å²	40	58.1 Å²	58.1	19%	0.187	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	30.3	177.3	-64.8	-167.8	-7.5	0	0	114.5	G738 T742 R749 V751 A820	G738-Q740 PolarHBondContact O-N 2.88Å; Q740-T742 PolarHBondContact O-N 3.08Å; Q740-T742 VanDerWaalsContact O-N 3.12Å; Q740-R749 HydrophobicContact CB-CB 4.23Å; Q740-R749 WeakPolarHBondContact CB-O 3.45Å; Q740-R749 PolarHBondContact O-N 3.37Å; Q740-V751 HydrophobicContact CB-CG2 4.44Å; Q740-V751 HydrophobicContact CG-CG2 3.92Å; Q740-A820 PolarHBondContact NE2-O 3.21Å
741	R	73.3	Confident	79.9	Confident	69 Å²	69	54.2 Å²	54.2	26%	0.26	28%	0.276	S	S	.	.			trans	-80.5	83.5	169.3	-160	178.5	-161.8	84.4	-4.6	111.8	Y556 Y570 M572 Y737 G738	Y556-R741 HydrophobicContact CE1-CG 4.3Å; Y556-R741 HydrophobicContact CE2-CG 4.12Å; Y556-R741 WeakPolarHBondContact OH-CG 3.4Å; Y570-R741 PolarHBondContact O-NH1 3.49Å; Y570-R741 PolarHBondContact O-NH2 3.12Å; M572-R741 PolarHBondContact O-NH2 2.04Å; Y737-R741 WeakPolarHBondContact O-CB 3.34Å; G738-R741 PolarHBondContact O-N 3.14Å
742	T	77	Confident	80	Confident	54 Å²	54	54.7 Å²	54.7	33%	0.331	28%	0.277	S	S	.	.			trans	-62.3	155.7	173.3	41.7	0	0	0	0	112.8	Y556 Q740 D744 S747 A748	Y556-T742 WeakPolarHBondContact CE2-O 3.35Å; Y556-T742 PolarHBondContact OH-O 3.3Å; Q740-T742 PolarHBondContact O-N 3.08Å; Q740-T742 VanDerWaalsContact O-N 3.12Å; T742-D744 VanDerWaalsContact C-N 3.28Å; T742-D744 WeakPolarHBondContact CB-O 3.37Å; T742-D744 PolarHBondContact O-N 3.44Å; T742-D744 PolarHBondContact OG1-O 3.31Å; T742-S747 VanDerWaalsContact OG1-C 3.3Å; T742-S747 PolarHBondContact OG1-OG 3.26Å; T742-S747 VanDerWaalsContact OG1-OG 3.13Å; T742-A748 WeakPolarHBondContact OG1-CA 3.42Å; T742-A748 PolarHBondContact OG1-N 2.98Å; T742-A748 VanDerWaalsContact OG1-N 3.1Å
743	Q	75.6	Confident	80	Confident	185 Å²	185	53.1 Å²	53.1	86%	0.864	27%	0.269	S	S	*	.	S	Bend	trans	-63.6	-34.8	175	-175.5	177.9	-1.5	0	0	112.1
744	D	80.8	Confident	79.9	Confident	72 Å²	72	50.3 Å²	50.3	39%	0.385	26%	0.256	S	S	.	.	S	Bend	trans	-77.4	123.1	162.9	161.9	47.4	0	0	0	110.2	T742 M746 S747	T742-D744 VanDerWaalsContact C-N 3.28Å; T742-D744 WeakPolarHBondContact CB-O 3.37Å; T742-D744 PolarHBondContact O-N 3.44Å; T742-D744 PolarHBondContact OG1-O 3.31Å; D744-M746 VanDerWaalsContact C-N 3.29Å; D744-M746 VanDerWaalsContact CG-N 3.33Å; D744-M746 PolarHBondContact O-N 3.09Å; D744-M746 WeakPolarHBondContact OD1-CB 3.42Å; D744-M746 PolarHBondContact OD1-N 3.29Å; D744-M746 PolarHBondContact OD2-N 3.47Å; D744-S747 PolarHBondContact O-OG 3.05Å; D744-S747 VanDerWaalsContact OD2-CB 3.29Å; D744-S747 WeakPolarHBondContact OD2-CB 3.35Å; D744-S747 PolarHBondContact OD2-N 3.29Å; D744-S747 PolarHBondContact OD2-OG 2.86Å
745	P	80.8	Confident	79.8	Confident	4 Å²	4	51 Å²	51	3%	0.026	26%	0.258	C	S	.	.	S	Bend	trans	-69	-20.6	175.1	-14.3	27.3	0	0	0	114.6	G555 Y556 R573 P574 A748	G555-P745 WeakPolarHBondContact O-CG 3.34Å; Y556-P745 HydrophobicContact CD1-CB 3.93Å; Y556-P745 HydrophobicContact CD1-CG 4.18Å; Y556-P745 HydrophobicContact CD2-CG 4.13Å; Y556-P745 HydrophobicContact CE1-CB 3.71Å; Y556-P745 HydrophobicContact CE1-CG 4.23Å; Y556-P745 HydrophobicContact CE2-CB 4.41Å; Y556-P745 HydrophobicContact CE2-CG 4.15Å; Y556-P745 HydrophobicContact CG-CB 4.39Å; Y556-P745 HydrophobicContact CG-CG 4.13Å; R573-P745 HydrophobicContact CB-CB 3.96Å; R573-P745 WeakPolarHBondContact CD-O 3.44Å; R573-P745 PolarHBondContact NH1-O 3Å; P574-P745 HydrophobicContact CG-CB 4.14Å; P574-P745 HydrophobicContact CG-CG 4.09Å; P745-A748 WeakPolarHBondContact O-CB 3.43Å; P745-A748 PolarHBondContact O-N 3.33Å
746	M	80.4	Confident	79.5	Confident	95 Å²	95	51.6 Å²	51.6	47%	0.468	26%	0.259	S	S	.	.	S	Bend	trans	-73.5	-30.8	-176.5	-66.6	-58.4	-68.5	0	0	112.5	R573 T576 D744	R573-M746 PolarHBondContact NH1-O 3.38Å; T576-M746 HydrophobicContact CG2-CE 4Å; D744-M746 VanDerWaalsContact C-N 3.29Å; D744-M746 VanDerWaalsContact CG-N 3.33Å; D744-M746 PolarHBondContact O-N 3.09Å; D744-M746 WeakPolarHBondContact OD1-CB 3.42Å; D744-M746 PolarHBondContact OD1-N 3.29Å; D744-M746 PolarHBondContact OD2-N 3.47Å
747	S	80.9	Confident	79.4	Confident	39 Å²	39	52.6 Å²	52.6	27%	0.273	27%	0.269	S	S	.	.	S	Bend	trans	-88.8	-3.9	174.2	47.6	0	0	0	0	114.9	T742 D744 R749	T742-S747 VanDerWaalsContact OG1-C 3.3Å; T742-S747 PolarHBondContact OG1-OG 3.26Å; T742-S747 VanDerWaalsContact OG1-OG 3.13Å; D744-S747 PolarHBondContact O-OG 3.05Å; D744-S747 VanDerWaalsContact OD2-CB 3.29Å; D744-S747 WeakPolarHBondContact OD2-CB 3.35Å; D744-S747 PolarHBondContact OD2-N 3.29Å; D744-S747 PolarHBondContact OD2-OG 2.86Å; S747-R749 PolarHBondContact O-NH1 2.96Å
748	A	83.7	Confident	79.4	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.008	27%	0.273	C	S	.	.			trans	-67	140.3	-179	0	0	0	0	0	112.5	Y556 T742 P745	Y556-A748 HydrophobicContact CE1-CB 4.35Å; Y556-A748 VanDerWaalsContact OH-CB 3.22Å; Y556-A748 WeakPolarHBondContact OH-CB 3.37Å; T742-A748 WeakPolarHBondContact OG1-CA 3.42Å; T742-A748 PolarHBondContact OG1-N 2.98Å; T742-A748 VanDerWaalsContact OG1-N 3.1Å; P745-A748 WeakPolarHBondContact O-CB 3.43Å; P745-A748 PolarHBondContact O-N 3.33Å
749	R	83.9	Confident	79.8	Confident	115 Å²	115	57.3 Å²	57.3	43%	0.434	29%	0.288	S	S	.	.			trans	-141.7	150.3	-175.6	-67.6	169.7	179.4	100.9	-9.5	111.3	I584 P585 I587 Q740 S747	I584-R749 VanDerWaalsContact CG2-C 3.46Å; P585-R749 WeakPolarHBondContact O-CA 3.32Å; I587-R749 HydrophobicContact CG1-CB 4.46Å; I587-R749 HydrophobicContact CG2-CB 4.37Å; I587-R749 HydrophobicContact CG2-CG 4.16Å; Q740-R749 HydrophobicContact CB-CB 4.23Å; Q740-R749 WeakPolarHBondContact CB-O 3.45Å; Q740-R749 PolarHBondContact O-N 3.37Å; S747-R749 PolarHBondContact O-NH1 2.96Å
750	G	84.1	Confident	80.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	138.7	167.7	0	0	0	0	0	110.6	P585 I586 I587 D736	P585-G750 PolarHBondContact O-N 3.2Å; I586-G750 CarbonylContact C-O 3.59Å; I586-G750 WeakPolarHBondContact CA-O 3.37Å; I587-G750 PolarHBondContact N-O 3.45Å; D736-G750 CarbonylContact O-C 3.55Å; D736-G750 WeakPolarHBondContact O-CA 3.45Å
751	V	85.8	Confident	80.9	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.024	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	113.9	-179.1	-176.8	0	0	0	0	109.8	I587 V735 D736 Q740 K753 M823	I587-V751 HydrophobicContact CD1-CG2 4.39Å; I587-V751 HydrophobicContact CG1-CG2 4.28Å; V735-V751 WeakPolarHBondContact CA-O 3.18Å; D736-V751 PolarHBondContact N-O 3.27Å; D736-V751 PolarHBondContact O-N 2.72Å; Q740-V751 HydrophobicContact CB-CG2 4.44Å; Q740-V751 HydrophobicContact CG-CG2 3.92Å; V751-K753 PolarHBondContact O-N 3.25Å; V751-M823 HydrophobicContact CG1-CE 4.05Å; V751-M823 HydrophobicContact CG1-SD 3.49Å; V751-M823 WeakPolarHBondContact CG1-SD 3.4Å
752	L	85.7	Confident	81.2	Confident	35 Å²	35	53.1 Å²	53.1	18%	0.183	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	116.7	174	178.2	66	0	0	0	110.3	I586 I587 P655 I733 V735	I586-L752 HydrophobicContact CG2-CB 3.78Å; I587-L752 PolarHBondContact O-N 3.21Å; I587-L752 VanDerWaalsContact O-N 3.12Å; P655-L752 HydrophobicContact CB-CG 4.22Å; P655-L752 HydrophobicContact CG-CG 4.36Å; I733-L752 HydrophobicContact CB-CD1 4.39Å; V735-L752 HydrophobicContact CG2-CD1 3.94Å
753	K	84.6	Confident	81.5	Confident	51 Å²	51	54.1 Å²	54.1	22%	0.222	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	161.9	176.9	61	-168.7	178.3	-165.8	0	112.2	V734 D736 E739 V751	V734-K753 HydrophobicContact CG1-CG 3.82Å; V734-K753 PolarHBondContact N-O 3.06Å; V734-K753 PolarHBondContact O-N 3.31Å; V734-K753 VanDerWaalsContact O-O 3.08Å; D736-K753 WeakPolarHBondContact OD2-CE 3.5Å; D736-K753 IonicContact OD2-NZ 3.99Å; D736-K753 PolarHBondContact OD2-NZ 3.31Å; E739-K753 IonicContact OE1-NZ 3.32Å; E739-K753 IonicContact OE2-NZ 3.45Å; E739-K753 PolarHBondContact OE2-NZ 3.38Å; V751-K753 PolarHBondContact O-N 3.25Å
754	C	86.1	Confident	81.8	Confident	13 Å²	13	45.5 Å²	45.5	9%	0.088	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	140.5	162.3	-58.6	0	0	0	0	107.8	C660 I756	C660-C754 VanDerWaalsContact CA-SG 3.52Å; C660-C754 HydrophobicContact CB-CB 3.75Å; C660-C754 WeakPolarHBondContact CB-SG 3.41Å; C660-C754 VanDerWaalsContact SG-CA 3.58Å; C660-C754 WeakPolarHBondContact SG-CB 3.31Å; C660-C754 CovalentContact SG-SG 2.03Å; C660-C754 PolarHBondContact SG-SG 3.33Å; C754-I756 HydrophobicContact CB-CD1 3.87Å; C754-I756 HydrophobicContact CB-CG1 3.89Å; C754-I756 PolarHBondContact O-N 3.38Å; C754-I756 VanDerWaalsContact O-N 3.07Å
755	D	82.5	Confident	82	Confident	67 Å²	67	42.3 Å²	42.3	36%	0.358	23%	0.227	S	C	.	.			trans	-75.2	101.6	167.9	-169.5	39.7	0	0	0	109.5	H732 V734	H732-D755 VanDerWaalsContact CE1-CB 3.44Å; H732-D755 WeakPolarHBondContact CE1-CB 3.4Å; H732-D755 IonicContact CE1-OD2 3.95Å; H732-D755 PolarHBondContact CE1-OD2 3.18Å; H732-D755 WeakPolarHBondContact NE2-CB 3.36Å; H732-D755 IonicContact NE2-OD2 3.35Å; H732-D755 PolarHBondContact O-N 3.48Å; V734-D755 HydrophobicContact CG1-CB 4.04Å
756	I	78.3	Confident	82.4	Confident	54 Å²	54	43.7 Å²	43.7	28%	0.277	24%	0.242	S	C	.	.			trans	-146.7	111.2	177.4	-54.5	178.1	0	0	0	106.4	C754	C754-I756 HydrophobicContact CB-CD1 3.87Å; C754-I756 HydrophobicContact CB-CG1 3.89Å; C754-I756 PolarHBondContact O-N 3.38Å; C754-I756 VanDerWaalsContact O-N 3.07Å
757	S	79	Confident	82.8	Confident	63 Å²	63	41.6 Å²	41.6	44%	0.441	23%	0.229	S	C	.	.			trans	-67.8	148.9	176.8	52.4	0	0	0	0	112.5	L759 S760 L761	S757-L759 PolarHBondContact O-N 3.08Å; S757-S760 WeakPolarHBondContact O-CA 3.39Å; S757-S760 WeakPolarHBondContact O-CB 3.47Å; S757-S760 PolarHBondContact O-N 3.37Å; S757-S760 WeakPolarHBondContact OG-CB 3.48Å; S757-S760 PolarHBondContact OG-N 3.43Å; S757-S760 PolarHBondContact OG-OG 3.18Å; S757-L761 PolarHBondContact O-N 3.5Å
758	D	79.3	Confident	83.2	Confident	40 Å²	40	39.9 Å²	39.9	21%	0.214	22%	0.218	C	C	.	.	H	α-helix	trans	-53	-38.6	175.6	-69	14.6	0	0	0	111.8	S760 L761 I762 F813 R822	D758-S760 VanDerWaalsContact C-N 3.34Å; D758-S760 PolarHBondContact O-N 2.95Å; D758-L761 WeakPolarHBondContact O-CB 3.43Å; D758-L761 PolarHBondContact O-N 3.3Å; D758-I762 WeakPolarHBondContact O-CG1 3.38Å; D758-I762 PolarHBondContact O-N 3.16Å; D758-I762 VanDerWaalsContact O-N 3.09Å; D758-F813 HydrophobicContact CB-CE1 4.17Å; D758-F813 HydrophobicContact CB-CZ 4.38Å; D758-R822 IonicContact OD1-CZ 2.72Å; D758-R822 IonicContact OD1-NH2 3.85Å; D758-R822 PolarHBondContact OD1-NH2 3.44Å; D758-R822 IonicContact OD2-CZ 3.44Å; D758-R822 IonicContact OD2-NH2 3.6Å; D758-R822 PolarHBondContact OD2-NH2 3.46Å
759	L	77.8	Confident	83.5	Confident	125 Å²	125	42 Å²	42	65%	0.654	23%	0.228	S	C	*	.	H	α-helix	trans	-60.7	-41.6	174	-179.4	60.5	0	0	0	111.7	S757 I762 C763	S757-L759 PolarHBondContact O-N 3.08Å; L759-I762 PolarHBondContact O-N 3.49Å; L759-C763 WeakPolarHBondContact O-CB 3.38Å; L759-C763 PolarHBondContact O-N 3.03Å; L759-C763 PolarHBondContact O-SG 3.43Å; L759-C763 VanDerWaalsContact O-SG 3.38Å
760	S	79.1	Confident	83.9	Confident	17 Å²	17	41.5 Å²	41.5	12%	0.119	23%	0.233	C	C	.	.	H	α-helix	trans	-67.8	-38.4	176.3	-64.2	0	0	0	0	112.4	W725 S757 D758 I762 C763 S764	W725-S760 WeakPolarHBondContact CH2-O 3.26Å; W725-S760 VanDerWaalsContact CZ2-CB 3.45Å; S757-S760 WeakPolarHBondContact O-CA 3.39Å; S757-S760 WeakPolarHBondContact O-CB 3.47Å; S757-S760 PolarHBondContact O-N 3.37Å; S757-S760 WeakPolarHBondContact OG-CB 3.48Å; S757-S760 PolarHBondContact OG-N 3.43Å; S757-S760 PolarHBondContact OG-OG 3.18Å; D758-S760 VanDerWaalsContact C-N 3.34Å; D758-S760 PolarHBondContact O-N 2.95Å; S760-I762 VanDerWaalsContact C-N 3.27Å; S760-I762 PolarHBondContact O-N 3.25Å; S760-C763 PolarHBondContact O-N 3.37Å; S760-S764 WeakPolarHBondContact O-CB 3.34Å; S760-S764 PolarHBondContact O-N 3.46Å
761	L	79.6	Confident	84.2	Confident	26 Å²	26	41.8 Å²	41.8	14%	0.136	24%	0.235	C	C	.	.	H	α-helix	trans	-58.3	-42.9	173.7	-163.8	79.5	0	0	0	111.4	L667 S757 D758 L765 F813 L830	L667-L761 HydrophobicContact CD2-CD1 3.48Å; L667-L761 VanDerWaalsContact CD2-CD1 3.48Å; L667-L761 HydrophobicContact CD2-CG 4.23Å; S757-L761 PolarHBondContact O-N 3.5Å; D758-L761 WeakPolarHBondContact O-CB 3.43Å; D758-L761 PolarHBondContact O-N 3.3Å; L761-L765 WeakPolarHBondContact O-CG 3.3Å; L761-L765 PolarHBondContact O-N 3Å; L761-F813 HydrophobicContact CD2-CD2 4.25Å; L761-F813 HydrophobicContact CD2-CE1 4.32Å; L761-F813 HydrophobicContact CD2-CE2 3.28Å; L761-F813 HydrophobicContact CD2-CZ 3.34Å; L761-L830 HydrophobicContact CD1-CD2 4.14Å; L761-L830 HydrophobicContact CD2-CD2 4.22Å
762	I	81.2	Confident	84.5	Confident	56 Å²	56	42 Å²	42	29%	0.287	24%	0.236	S	C	.	.	H	α-helix	trans	-73.7	-43	-178.9	-67.5	167.9	0	0	0	111.8	D758 L759 S760 S764 L765 G766 F813 F814	D758-I762 WeakPolarHBondContact O-CG1 3.38Å; D758-I762 PolarHBondContact O-N 3.16Å; D758-I762 VanDerWaalsContact O-N 3.09Å; L759-I762 PolarHBondContact O-N 3.49Å; S760-I762 VanDerWaalsContact C-N 3.27Å; S760-I762 PolarHBondContact O-N 3.25Å; I762-S764 PolarHBondContact O-N 3.37Å; I762-L765 PolarHBondContact O-N 3.35Å; I762-L765 VanDerWaalsContact O-N 3.12Å; I762-G766 PolarHBondContact O-N 3.45Å; I762-F813 HydrophobicContact CD1-CD1 4.47Å; I762-F813 HydrophobicContact CD1-CE1 4.26Å; I762-F814 HydrophobicContact CD1-CE1 3.91Å; I762-F814 HydrophobicContact CD1-CE2 3.69Å; I762-F814 HydrophobicContact CD1-CZ 3.19Å
763	C	81.6	Confident	84.7	Confident	75 Å²	75	43.8 Å²	43.8	51%	0.507	25%	0.248	S	C	.	.	H	α-helix	trans	-59.8	-34.3	175.2	-76.7	0	0	0	0	112.2	W725 L759 S760 L765 G766	W725-C763 HydrophobicContact CH2-CB 3.67Å; W725-C763 HydrophobicContact CZ2-CB 4.16Å; L759-C763 WeakPolarHBondContact O-CB 3.38Å; L759-C763 PolarHBondContact O-N 3.03Å; L759-C763 PolarHBondContact O-SG 3.43Å; L759-C763 VanDerWaalsContact O-SG 3.38Å; S760-C763 PolarHBondContact O-N 3.37Å; C763-L765 VanDerWaalsContact C-N 3.34Å; C763-L765 PolarHBondContact O-N 2.93Å; C763-G766 PolarHBondContact O-N 2.83Å
764	S	82.6	Confident	85	Confident	4 Å²	4	43.6 Å²	43.6	3%	0.028	25%	0.251	C	S	.	.	H	α-helix	trans	-64.5	-37.6	175.5	-167.3	0	0	0	0	112.8	Q718 S760 I762	Q718-S764 PolarHBondContact NE2-O 2.86Å; S760-S764 WeakPolarHBondContact O-CB 3.34Å; S760-S764 PolarHBondContact O-N 3.46Å; I762-S764 PolarHBondContact O-N 3.37Å
765	L	85.4	Confident	85.3	Confident	4 Å²	4	43 Å²	43	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-84	-22.7	179.7	-66.3	168.4	0	0	0	113.2	L667 L761 I762 C763 Y767 S768 I769 W806 F809 L830	L667-L765 HydrophobicContact CD1-CD2 4Å; L667-L765 HydrophobicContact CG-CD2 3.96Å; L667-L765 HydrophobicContact CG-CG 4.36Å; L761-L765 WeakPolarHBondContact O-CG 3.3Å; L761-L765 PolarHBondContact O-N 3Å; I762-L765 PolarHBondContact O-N 3.35Å; I762-L765 VanDerWaalsContact O-N 3.12Å; C763-L765 VanDerWaalsContact C-N 3.34Å; C763-L765 PolarHBondContact O-N 2.93Å; L765-Y767 PolarHBondContact O-N 3.49Å; L765-S768 WeakPolarHBondContact O-CA 3.47Å; L765-S768 WeakPolarHBondContact O-CB 3.37Å; L765-S768 PolarHBondContact O-N 3.05Å; L765-I769 HydrophobicContact CB-CD1 4.3Å; L765-I769 WeakPolarHBondContact O-CG1 3.18Å; L765-I769 PolarHBondContact O-N 2.94Å; L765-W806 HydrophobicContact CD1-CH2 4.46Å; L765-W806 HydrophobicContact CD1-CZ3 4.15Å; L765-W806 HydrophobicContact CD2-CH2 4Å; L765-W806 HydrophobicContact CD2-CZ3 4.39Å; L765-F809 HydrophobicContact CD1-CE1 4.38Å; L765-L830 HydrophobicContact CD1-CD1 4.01Å
766	G	88.2	Confident	85.6	Confident	33 Å²	33	40.6 Å²	40.6	34%	0.34	24%	0.235	S	C	.	.	H	α-helix	trans	-55.5	-42.6	-172.8	0	0	0	0	0	114.8	I762 C763 I769 L770	I762-G766 PolarHBondContact O-N 3.45Å; C763-G766 PolarHBondContact O-N 2.83Å; G766-I769 PolarHBondContact O-N 3.45Å; G766-L770 WeakPolarHBondContact O-CB 3.43Å; G766-L770 PolarHBondContact O-N 2.92Å
767	Y	90.4	Very high	86.2	Confident	51 Å²	51	41.4 Å²	41.4	20%	0.2	24%	0.242	C	C	.	.	H	α-helix	trans	-69.3	-36.4	176.4	-177.9	-106.6	0	0	0	112.4	L714 V717 Q718 L765 L770 L771	L714-Y767 PolarHBondContact O-OH 3.03Å; V717-Y767 HydrophobicContact CB-CE1 4.15Å; V717-Y767 HydrophobicContact CB-CE2 4.37Å; V717-Y767 HydrophobicContact CG1-CD2 4.35Å; V717-Y767 HydrophobicContact CG1-CE1 4.31Å; V717-Y767 HydrophobicContact CG1-CE2 3.86Å; Q718-Y767 HydrophobicContact CB-CD1 4.07Å; Q718-Y767 HydrophobicContact CB-CE1 4.34Å; L765-Y767 PolarHBondContact O-N 3.49Å; Y767-L770 HydrophobicContact CD2-CD2 4.38Å; Y767-L770 WeakPolarHBondContact O-CB 3.37Å; Y767-L770 PolarHBondContact O-N 3.04Å; Y767-L771 HydrophobicContact CD1-CD1 4.01Å; Y767-L771 HydrophobicContact CD1-CG 4.35Å; Y767-L771 HydrophobicContact CE1-CD1 3.58Å; Y767-L771 HydrophobicContact CE1-CD2 4.42Å; Y767-L771 HydrophobicContact CE1-CG 3.98Å; Y767-L771 WeakPolarHBondContact O-CG 3.27Å; Y767-L771 PolarHBondContact O-N 3.18Å
768	S	89.1	Confident	86.6	Confident	4 Å²	4	41.5 Å²	41.5	3%	0.028	23%	0.233	C	C	.	.	H	α-helix	trans	-65.6	-36.7	172.6	-76.8	0	0	0	0	112.5	G668 M671 C672 Y675 L765 L771 M772	G668-S768 PolarHBondContact O-OG 3.48Å; M671-S768 WeakPolarHBondContact CB-OG 3.2Å; C672-S768 PolarHBondContact N-OG 3.38Å; Y675-S768 WeakPolarHBondContact CD2-O 3.38Å; L765-S768 WeakPolarHBondContact O-CA 3.47Å; L765-S768 WeakPolarHBondContact O-CB 3.37Å; L765-S768 PolarHBondContact O-N 3.05Å; S768-L771 PolarHBondContact O-N 3.41Å; S768-M772 WeakPolarHBondContact O-CB 3.43Å; S768-M772 PolarHBondContact O-N 3.04Å
769	I	89.9	Confident	86.9	Confident	46 Å²	46	39.7 Å²	39.7	24%	0.236	22%	0.224	C	C	.	.	H	α-helix	trans	-67	-41.1	172.8	-66.8	168	0	0	0	110.7	L765 G766 M772 V773	L765-I769 HydrophobicContact CB-CD1 4.3Å; L765-I769 WeakPolarHBondContact O-CG1 3.18Å; L765-I769 PolarHBondContact O-N 2.94Å; G766-I769 PolarHBondContact O-N 3.45Å; I769-M772 HydrophobicContact CG2-CE 4.22Å; I769-M772 WeakPolarHBondContact O-CB 3.46Å; I769-M772 PolarHBondContact O-N 3.21Å; I769-V773 WeakPolarHBondContact O-CG2 3.27Å; I769-V773 PolarHBondContact O-N 3.34Å
770	L	91.4	Very high	87.4	Confident	103 Å²	103	38.4 Å²	38.4	54%	0.539	22%	0.217	S	C	.	.	H	α-helix	trans	-61.1	-44.3	174.1	-179.1	64.5	0	0	0	111.7	G766 Y767 V773 T774	G766-L770 WeakPolarHBondContact O-CB 3.43Å; G766-L770 PolarHBondContact O-N 2.92Å; Y767-L770 HydrophobicContact CD2-CD2 4.38Å; Y767-L770 WeakPolarHBondContact O-CB 3.37Å; Y767-L770 PolarHBondContact O-N 3.04Å; L770-V773 PolarHBondContact O-N 3.08Å; L770-T774 WeakPolarHBondContact O-CB 3.44Å; L770-T774 PolarHBondContact O-N 3.27Å; L770-T774 PolarHBondContact O-OG1 3.31Å
771	L	91.4	Very high	87.6	Confident	7 Å²	7	43.4 Å²	43.4	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-43.9	173.4	-73.2	176.7	0	0	0	111.6	C672 A676 L679 L714 Y767 S768 T774 C775	C672-L771 HydrophobicContact CB-CD1 4.47Å; A676-L771 HydrophobicContact CB-CD1 4.46Å; L679-L771 HydrophobicContact CD2-CD2 3.88Å; L714-L771 HydrophobicContact CD2-CD2 4.34Å; Y767-L771 HydrophobicContact CD1-CD1 4.01Å; Y767-L771 HydrophobicContact CD1-CG 4.35Å; Y767-L771 HydrophobicContact CE1-CD1 3.58Å; Y767-L771 HydrophobicContact CE1-CD2 4.42Å; Y767-L771 HydrophobicContact CE1-CG 3.98Å; Y767-L771 WeakPolarHBondContact O-CG 3.27Å; Y767-L771 PolarHBondContact O-N 3.18Å; S768-L771 PolarHBondContact O-N 3.41Å; L771-T774 PolarHBondContact O-N 2.91Å; L771-C775 PolarHBondContact O-N 2.73Å; L771-C775 PolarHBondContact O-SG 2.84Å
772	M	90.9	Very high	87.6	Confident	7 Å²	7	42.3 Å²	42.3	3%	0.034	23%	0.231	C	C	.	.	H	α-helix	trans	-59.4	-52	176.6	-177.4	-170.3	60.4	0	0	112	Y675 S768 I769 T774 C775 T776 M799 W806	Y675-M772 HydrophobicContact CD1-CB 4.26Å; Y675-M772 HydrophobicContact CD1-CG 4.46Å; Y675-M772 HydrophobicContact CD2-CB 3.91Å; Y675-M772 HydrophobicContact CE1-CB 4.05Å; Y675-M772 HydrophobicContact CE1-CG 3.85Å; Y675-M772 HydrophobicContact CE2-CB 3.64Å; Y675-M772 HydrophobicContact CE2-CG 4.05Å; Y675-M772 HydrophobicContact CE2-SD 4.38Å; Y675-M772 HydrophobicContact CG-CB 4.21Å; Y675-M772 PolarHBondContact OH-SD 3.3Å; Y675-M772 VanDerWaalsContact OH-SD 3.37Å; S768-M772 WeakPolarHBondContact O-CB 3.43Å; S768-M772 PolarHBondContact O-N 3.04Å; I769-M772 HydrophobicContact CG2-CE 4.22Å; I769-M772 WeakPolarHBondContact O-CB 3.46Å; I769-M772 PolarHBondContact O-N 3.21Å; M772-T774 VanDerWaalsContact C-N 3.29Å; M772-T774 PolarHBondContact O-N 3.28Å; M772-C775 WeakPolarHBondContact O-CB 3.14Å; M772-C775 PolarHBondContact O-N 3Å; M772-C775 VanDerWaalsContact O-N 3.16Å; M772-T776 PolarHBondContact O-N 2.89Å; M772-T776 PolarHBondContact O-OG1 2.9Å; M772-M799 HydrophobicContact CB-CE 4.38Å; M772-M799 HydrophobicContact CG-CE 3.64Å; M772-M799 WeakPolarHBondContact O-CE 3.44Å; M772-W806 HydrophobicContact CE-CB 3.81Å; M772-W806 HydrophobicContact CE-CG 4.21Å; M772-W806 HydrophobicContact SD-CB 4.04Å; M772-W806 VanDerWaalsContact SD-CD1 3.51Å; M772-W806 HydrophobicContact SD-CG 3.96Å
773	V	90.9	Very high	87.6	Confident	73 Å²	73	49.3 Å²	49.3	44%	0.442	25%	0.254	S	S	.	.	H	α-helix	trans	-60.2	-41.8	178.3	174	0	0	0	0	110.7	I769 L770 C775 T776 V777	I769-V773 WeakPolarHBondContact O-CG2 3.27Å; I769-V773 PolarHBondContact O-N 3.34Å; L770-V773 PolarHBondContact O-N 3.08Å; V773-C775 PolarHBondContact O-N 3.03Å; V773-T776 PolarHBondContact O-N 3.28Å; V773-V777 WeakPolarHBondContact O-CG2 3.13Å; V773-V777 PolarHBondContact O-N 3.13Å
774	T	91.2	Very high	87.1	Confident	47 Å²	47	48.6 Å²	48.6	29%	0.288	26%	0.259	S	S	.	.	H	α-helix	trans	-62.1	-42.5	175.9	-53.5	0	0	0	0	111.7	L679 L770 L771 M772 T776 V777 Y778	L679-T774 HydrophobicContact CD1-CG2 3.89Å; L679-T774 HydrophobicContact CD2-CG2 4.1Å; L770-T774 WeakPolarHBondContact O-CB 3.44Å; L770-T774 PolarHBondContact O-N 3.27Å; L770-T774 PolarHBondContact O-OG1 3.31Å; L771-T774 PolarHBondContact O-N 2.91Å; M772-T774 VanDerWaalsContact C-N 3.29Å; M772-T774 PolarHBondContact O-N 3.28Å; T774-T776 PolarHBondContact O-N 3.04Å; T774-V777 PolarHBondContact O-N 3.34Å; T774-Y778 HydrophobicContact CG2-CD2 4.04Å; T774-Y778 HydrophobicContact CG2-CE2 3.92Å; T774-Y778 VanDerWaalsContact O-CD2 3.3Å; T774-Y778 WeakPolarHBondContact O-CD2 3.24Å; T774-Y778 PolarHBondContact O-N 2.89Å; T774-Y778 VanDerWaalsContact O-N 3.14Å
775	C	90.8	Very high	86.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.6	-46.7	172.7	-69	0	0	0	0	111.6	Y675 L679 L771 M772 V773 V777 Y778 A779 M799	Y675-C775 PolarHBondContact O-SG 3.04Å; Y675-C775 VanDerWaalsContact O-SG 3.34Å; L679-C775 VanDerWaalsContact CA-SG 3.55Å; L679-C775 WeakPolarHBondContact CB-SG 3.43Å; L679-C775 PolarHBondContact N-SG 3.22Å; L771-C775 PolarHBondContact O-N 2.73Å; L771-C775 PolarHBondContact O-SG 2.84Å; M772-C775 WeakPolarHBondContact O-CB 3.14Å; M772-C775 PolarHBondContact O-N 3Å; M772-C775 VanDerWaalsContact O-N 3.16Å; V773-C775 PolarHBondContact O-N 3.03Å; C775-V777 PolarHBondContact O-N 3.26Å; C775-Y778 CarbonylContact O-C 3.47Å; C775-Y778 PolarHBondContact O-N 3.41Å; C775-Y778 VanDerWaalsContact O-N 3.17Å; C775-A779 WeakPolarHBondContact O-CB 3.34Å; C775-A779 PolarHBondContact O-N 3.48Å; C775-M799 HydrophobicContact CB-CE 3.42Å; C775-M799 VanDerWaalsContact CB-CE 3.42Å; C775-M799 HydrophobicContact CB-CG 4.17Å; C775-M799 HydrophobicContact CB-SD 3.59Å; C775-M799 VanDerWaalsContact CB-SD 3.59Å
776	T	90.3	Very high	85.8	Confident	18 Å²	18	52.5 Å²	52.5	11%	0.11	28%	0.284	C	S	.	.	H	α-helix	trans	-62.3	-40.3	-179.2	-58.5	0	0	0	0	112	M772 V773 T774 Y778 A779 I780 Y800 C803	M772-T776 PolarHBondContact O-N 2.89Å; M772-T776 PolarHBondContact O-OG1 2.9Å; V773-T776 PolarHBondContact O-N 3.28Å; T774-T776 PolarHBondContact O-N 3.04Å; T776-Y778 PolarHBondContact O-N 2.91Å; T776-A779 PolarHBondContact O-N 3.48Å; T776-I780 HydrophobicContact CG2-CD1 4.23Å; T776-I780 VanDerWaalsContact O-CG1 3.3Å; T776-I780 WeakPolarHBondContact O-CG1 3.45Å; T776-I780 PolarHBondContact O-N 3.29Å; T776-Y800 HydrophobicContact CG2-CD1 3.96Å; T776-Y800 HydrophobicContact CG2-CE1 4Å; T776-C803 PolarHBondContact OG1-SG 3.39Å
777	V	90.3	Very high	84.5	Confident	70 Å²	70	56.8 Å²	56.8	42%	0.424	30%	0.295	S	S	.	.	H	α-helix	trans	-62	-42.2	173.8	172.5	0	0	0	0	111.7	V773 T774 C775 K781	V773-V777 WeakPolarHBondContact O-CG2 3.13Å; V773-V777 PolarHBondContact O-N 3.13Å; T774-V777 PolarHBondContact O-N 3.34Å; C775-V777 PolarHBondContact O-N 3.26Å; V777-K781 WeakPolarHBondContact O-CG 3.44Å; V777-K781 PolarHBondContact O-N 3.44Å; V777-K781 VanDerWaalsContact O-N 3.16Å
778	Y	87.1	Confident	82.9	Confident	65 Å²	65	60.2 Å²	60.2	26%	0.255	32%	0.322	S	S	.	.	H	α-helix	trans	-69.4	-35.4	174.5	-80.5	-71.6	0	0	0	112.7	L679 H686 T774 C775 T776 K781 T782	L679-Y778 HydrophobicContact CD1-CD2 3.6Å; L679-Y778 HydrophobicContact CD1-CE2 4.09Å; L679-Y778 HydrophobicContact CD1-CG 4.48Å; H686-Y778 HydrophobicContact CB-CD1 4.24Å; H686-Y778 AromaticContact CD2-CD1 3.8Å; H686-Y778 AromaticContact CD2-CE1 3.66Å; T774-Y778 HydrophobicContact CG2-CD2 4.04Å; T774-Y778 HydrophobicContact CG2-CE2 3.92Å; T774-Y778 VanDerWaalsContact O-CD2 3.3Å; T774-Y778 WeakPolarHBondContact O-CD2 3.24Å; T774-Y778 PolarHBondContact O-N 2.89Å; T774-Y778 VanDerWaalsContact O-N 3.14Å; C775-Y778 CarbonylContact O-C 3.47Å; C775-Y778 PolarHBondContact O-N 3.41Å; C775-Y778 VanDerWaalsContact O-N 3.17Å; T776-Y778 PolarHBondContact O-N 2.91Å; Y778-K781 CarbonylContact O-C 3.58Å; Y778-K781 PolarHBondContact O-N 3.18Å; Y778-T782 PolarHBondContact O-N 3.01Å; Y778-T782 PolarHBondContact O-OG1 3.42Å; Y778-T782 VanDerWaalsContact O-OG1 3.14Å
779	A	86.7	Confident	81.5	Confident	2 Å²	2	66 Å²	66	2%	0.017	35%	0.347	C	S	.	.	H	α-helix	trans	-62.4	-45.2	177	0	0	0	0	0	111.4	T682 C775 T776 K781 T782 R783 M799	T682-A779 HydrophobicContact CG2-CB 4.4Å; C775-A779 WeakPolarHBondContact O-CB 3.34Å; C775-A779 PolarHBondContact O-N 3.48Å; T776-A779 PolarHBondContact O-N 3.48Å; A779-K781 PolarHBondContact O-N 3.38Å; A779-T782 WeakPolarHBondContact CA-OG1 3.46Å; A779-T782 CarbonylContact O-C 3.56Å; A779-T782 PolarHBondContact O-N 2.9Å; A779-T782 PolarHBondContact O-OG1 3.11Å; A779-R783 PolarHBondContact O-N 3.11Å; A779-R783 VanDerWaalsContact O-N 3.14Å; A779-M799 HydrophobicContact CB-CB 4.45Å; A779-M799 HydrophobicContact CB-CG 4.36Å
780	I	86.8	Confident	80.3	Confident	98 Å²	98	69.5 Å²	69.5	50%	0.503	37%	0.366	S	S	.	.	H	α-helix	trans	-57.2	-48.4	172.3	-66.7	163.7	0	0	0	110.3	T776 T782 R783 Y800	T776-I780 HydrophobicContact CG2-CD1 4.23Å; T776-I780 VanDerWaalsContact O-CG1 3.3Å; T776-I780 WeakPolarHBondContact O-CG1 3.45Å; T776-I780 PolarHBondContact O-N 3.29Å; I780-T782 PolarHBondContact O-N 3.47Å; I780-T782 VanDerWaalsContact O-N 3.13Å; I780-R783 WeakPolarHBondContact O-CB 3.38Å; I780-R783 PolarHBondContact O-N 3.49Å; I780-R783 VanDerWaalsContact O-N 3.09Å; I780-Y800 HydrophobicContact CD1-CE1 4.37Å; I780-Y800 HydrophobicContact CG1-CE1 3.82Å; I780-Y800 WeakPolarHBondContact CG1-OH 3.12Å
781	K	84.3	Confident	79.5	Confident	122 Å²	122	66.5 Å²	66.5	53%	0.53	35%	0.349	S	S	.	.	H	α-helix	trans	-63.1	-15.4	176.3	-73.8	-179.3	176.8	-179.4	0	114.5	V777 Y778 A779	V777-K781 WeakPolarHBondContact O-CG 3.44Å; V777-K781 PolarHBondContact O-N 3.44Å; V777-K781 VanDerWaalsContact O-N 3.16Å; Y778-K781 CarbonylContact O-C 3.58Å; Y778-K781 PolarHBondContact O-N 3.18Å; A779-K781 PolarHBondContact O-N 3.38Å
782	T	80.1	Confident	78.9	Confident	3 Å²	3	66.7 Å²	66.7	2%	0.018	35%	0.351	C	S	.	.	H	α-helix	trans	-102.8	-0.9	174.7	52.9	0	0	0	0	114.7	T682 I685 H686 Y778 A779 I780 G784 V785	T682-T782 HydrophobicContact CG2-CG2 4.36Å; I685-T782 HydrophobicContact CB-CG2 4.27Å; I685-T782 HydrophobicContact CG2-CG2 3.86Å; H686-T782 HydrophobicContact CB-CG2 3.71Å; Y778-T782 PolarHBondContact O-N 3.01Å; Y778-T782 PolarHBondContact O-OG1 3.42Å; Y778-T782 VanDerWaalsContact O-OG1 3.14Å; A779-T782 WeakPolarHBondContact CA-OG1 3.46Å; A779-T782 CarbonylContact O-C 3.56Å; A779-T782 PolarHBondContact O-N 2.9Å; A779-T782 PolarHBondContact O-OG1 3.11Å; I780-T782 PolarHBondContact O-N 3.47Å; I780-T782 VanDerWaalsContact O-N 3.13Å; T782-G784 PolarHBondContact O-N 3.46Å; T782-V785 WeakPolarHBondContact O-CB 3.25Å; T782-V785 VanDerWaalsContact O-CG2 3.31Å; T782-V785 WeakPolarHBondContact O-CG2 3.38Å; T782-V785 PolarHBondContact O-N 3.03Å
783	R	80.5	Confident	78.5	Confident	204 Å²	204	71.9 Å²	71.9	77%	0.77	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.2	-179.7	-174.5	176.3	176.7	175.9	-1.2	113.7	A779 I780 V785	A779-R783 PolarHBondContact O-N 3.11Å; A779-R783 VanDerWaalsContact O-N 3.14Å; I780-R783 WeakPolarHBondContact O-CB 3.38Å; I780-R783 PolarHBondContact O-N 3.49Å; I780-R783 VanDerWaalsContact O-N 3.09Å; R783-V785 VanDerWaalsContact C-N 3.32Å; R783-V785 PolarHBondContact O-N 3.2Å
784	G	71.3	Confident	78.2	Confident	60 Å²	60	70.5 Å²	70.5	62%	0.619	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	12	179.2	0	0	0	0	0	115.9	T782	T782-G784 PolarHBondContact O-N 3.46Å
785	V	73.6	Confident	78	Confident	17 Å²	17	68.3 Å²	68.3	10%	0.103	35%	0.353	C	S	.	.			trans	-77.6	131.3	176.7	172.8	0	0	0	0	109.9	I685 F689 T782 R783 F789 A792	I685-V785 HydrophobicContact CG2-CG2 4.18Å; F689-V785 HydrophobicContact CB-CG2 4.18Å; F689-V785 HydrophobicContact CD1-CG2 4.1Å; F689-V785 HydrophobicContact CD2-CG2 4.17Å; F689-V785 HydrophobicContact CG-CG2 3.91Å; T782-V785 WeakPolarHBondContact O-CB 3.25Å; T782-V785 VanDerWaalsContact O-CG2 3.31Å; T782-V785 WeakPolarHBondContact O-CG2 3.38Å; T782-V785 PolarHBondContact O-N 3.03Å; R783-V785 VanDerWaalsContact C-N 3.32Å; R783-V785 PolarHBondContact O-N 3.2Å; V785-F789 HydrophobicContact CG1-CB 3.81Å; V785-F789 HydrophobicContact CG1-CG 4.48Å; V785-A792 HydrophobicContact CB-CB 4.43Å
786	P	66.8	Low	77.8	Confident	72 Å²	72	68.7 Å²	68.7	47%	0.468	36%	0.357	S	S	.	.			trans	-67.4	155.6	-178.3	27.1	-35.5	0	0	0	113.2	T788 F789	P786-T788 PolarHBondContact O-N 3.41Å; P786-F789 PolarHBondContact O-N 2.72Å
787	E	60.1	Low	77.7	Confident	123 Å²	123	73.9 Å²	73.9	58%	0.575	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-64.5	-8.1	-168.7	-52.7	-167.1	140.1	0	0	115.3	F789 N790 K793	E787-F789 PolarHBondContact O-N 3.26Å; E787-N790 PolarHBondContact O-N 2.98Å; E787-N790 PolarHBondContact O-OD1 2.78Å; E787-K793 IonicContact OE1-NZ 2.7Å; E787-K793 PolarHBondContact OE1-NZ 3.34Å
788	T	57.4	Low	77.8	Confident	124 Å²	124	70.5 Å²	70.5	76%	0.761	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-61.5	-19.1	167.6	50.7	0	0	0	0	112.9	P786	P786-T788 PolarHBondContact O-N 3.41Å
789	F	60.8	Low	77.9	Confident	125 Å²	125	67.4 Å²	67.4	55%	0.548	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-111.4	67.4	168.3	-73.7	-89.6	0	0	0	111.7	V785 P786 E787 E791 A792	V785-F789 HydrophobicContact CG1-CB 3.81Å; V785-F789 HydrophobicContact CG1-CG 4.48Å; P786-F789 PolarHBondContact O-N 2.72Å; E787-F789 PolarHBondContact O-N 3.26Å; F789-E791 PolarHBondContact O-N 3.39Å; F789-A792 PolarHBondContact O-N 3.09Å
790	N	63.5	Low	78.1	Confident	119 Å²	119	70.8 Å²	70.8	64%	0.636	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-6.6	-179.5	-88.8	-21.4	0	0	0	117.8	E787 P794	E787-N790 PolarHBondContact O-N 2.98Å; E787-N790 PolarHBondContact O-OD1 2.78Å; N790-P794 WeakPolarHBondContact O-CD 3.09Å
791	E	75.1	Confident	78.3	Confident	40 Å²	40	68.3 Å²	68.3	19%	0.187	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-17.6	-178	-173.4	157.6	-125.3	0	0	114	S629 K681 F789 I795 K849	S629-E791 PolarHBondContact OG-OE1 3.41Å; K681-E791 WeakPolarHBondContact CE-OE1 3.19Å; K681-E791 WeakPolarHBondContact CE-OE2 3.41Å; K681-E791 VanDerWaalsContact NZ-CD 3.3Å; K681-E791 IonicContact NZ-OE1 2.7Å; K681-E791 PolarHBondContact NZ-OE1 2.94Å; K681-E791 IonicContact NZ-OE2 3.42Å; K681-E791 PolarHBondContact NZ-OE2 3.47Å; F789-E791 PolarHBondContact O-N 3.39Å; E791-I795 HydrophobicContact CG-CD1 3.87Å; E791-I795 HydrophobicContact CG-CG1 4.47Å; E791-I795 WeakPolarHBondContact O-CG1 3.49Å; E791-K849 IonicContact OE1-NZ 3.52Å; E791-K849 PolarHBondContact OE1-NZ 3.18Å
792	A	78.8	Confident	78.6	Confident	11 Å²	11	62.5 Å²	62.5	9%	0.091	32%	0.323	C	S	.	.	H	α-helix	trans	-70.9	-40.2	-176.7	0	0	0	0	0	113.9	V785 F789 I795 G796	V785-A792 HydrophobicContact CB-CB 4.43Å; F789-A792 PolarHBondContact O-N 3.09Å; A792-I795 PolarHBondContact O-N 2.8Å; A792-G796 PolarHBondContact O-N 3.45Å; A792-G796 VanDerWaalsContact O-N 3.1Å
793	K	81.9	Confident	79.1	Confident	116 Å²	116	63.4 Å²	63.4	50%	0.504	33%	0.329	S	S	.	.	H	α-helix	trans	-64.5	-48.2	-178.4	-62	-176.5	-174.6	179.6	0	112.6	E787 I795 G796 F797	E787-K793 IonicContact OE1-NZ 2.7Å; E787-K793 PolarHBondContact OE1-NZ 3.34Å; K793-I795 VanDerWaalsContact C-N 3.33Å; K793-I795 PolarHBondContact O-N 2.94Å; K793-G796 PolarHBondContact O-N 3.16Å; K793-G796 VanDerWaalsContact O-N 3.14Å; K793-F797 HydrophobicContact CB-CE2 4.41Å; K793-F797 WeakPolarHBondContact O-CD2 3.43Å; K793-F797 PolarHBondContact O-N 3.04Å; K793-F797 VanDerWaalsContact O-N 3.08Å
794	P	85.6	Confident	79.7	Confident	44 Å²	44	59.2 Å²	59.2	29%	0.286	32%	0.32	S	S	.	.	H	α-helix	trans	-62.7	-34.9	177.7	-24.6	36.1	0	0	0	113.9	N790 F797 T798 L845	N790-P794 WeakPolarHBondContact O-CD 3.09Å; P794-F797 PolarHBondContact O-N 2.67Å; P794-T798 WeakPolarHBondContact O-CB 3.47Å; P794-T798 PolarHBondContact O-N 3Å; P794-T798 PolarHBondContact O-OG1 3.39Å; P794-L845 HydrophobicContact CB-CD2 4.05Å
795	I	87.1	Confident	80.6	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-43.9	173	-68.8	173.8	0	0	0	110.7	K681 T682 I685 E791 A792 K793 T798 M799 L845	K681-I795 HydrophobicContact CD-CD1 4.39Å; K681-I795 HydrophobicContact CG-CD1 4.17Å; T682-I795 HydrophobicContact CG2-CG2 4.44Å; T682-I795 WeakPolarHBondContact OG1-CG2 3.44Å; I685-I795 HydrophobicContact CD1-CD1 4.1Å; E791-I795 HydrophobicContact CG-CD1 3.87Å; E791-I795 HydrophobicContact CG-CG1 4.47Å; E791-I795 WeakPolarHBondContact O-CG1 3.49Å; A792-I795 PolarHBondContact O-N 2.8Å; K793-I795 VanDerWaalsContact C-N 3.33Å; K793-I795 PolarHBondContact O-N 2.94Å; I795-T798 PolarHBondContact O-N 3.15Å; I795-M799 WeakPolarHBondContact O-CG 3.5Å; I795-M799 PolarHBondContact O-N 3.24Å; I795-L845 HydrophobicContact CB-CD2 4.42Å; I795-L845 HydrophobicContact CG1-CD2 3.71Å
796	G	86.7	Confident	81.4	Confident	7 Å²	7	57.1 Å²	57.1	7%	0.072	29%	0.294	C	S	.	.	H	α-helix	trans	-55.3	-54.9	173.6	0	0	0	0	0	112.8	A792 K793 T798 M799 Y800	A792-G796 PolarHBondContact O-N 3.45Å; A792-G796 VanDerWaalsContact O-N 3.1Å; K793-G796 PolarHBondContact O-N 3.16Å; K793-G796 VanDerWaalsContact O-N 3.14Å; G796-T798 PolarHBondContact O-N 3.15Å; G796-M799 PolarHBondContact O-N 3.41Å; G796-Y800 WeakPolarHBondContact O-CD2 3.5Å; G796-Y800 WeakPolarHBondContact O-CE2 3.5Å; G796-Y800 VanDerWaalsContact O-CG 3.22Å; G796-Y800 PolarHBondContact O-N 3.46Å
797	F	88.3	Confident	82.5	Confident	127 Å²	127	59.6 Å²	59.6	56%	0.557	30%	0.302	S	S	*	.	H	α-helix	trans	-58.8	-44.3	178.9	-70.1	-63	0	0	0	112.8	K793 P794 M799 Y800 T801 M844	K793-F797 HydrophobicContact CB-CE2 4.41Å; K793-F797 WeakPolarHBondContact O-CD2 3.43Å; K793-F797 PolarHBondContact O-N 3.04Å; K793-F797 VanDerWaalsContact O-N 3.08Å; P794-F797 PolarHBondContact O-N 2.67Å; F797-M799 VanDerWaalsContact C-N 3.34Å; F797-M799 PolarHBondContact O-N 2.94Å; F797-Y800 PolarHBondContact O-N 3.08Å; F797-T801 PolarHBondContact O-N 3.14Å; F797-T801 PolarHBondContact O-OG1 3.05Å; F797-M844 HydrophobicContact CB-SD 3.82Å
798	T	90.6	Very high	83.9	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-53.1	-53.2	175.8	-55.7	0	0	0	0	110.5	P794 I795 G796 Y800 T801 T802 V840 M844 L845	P794-T798 WeakPolarHBondContact O-CB 3.47Å; P794-T798 PolarHBondContact O-N 3Å; P794-T798 PolarHBondContact O-OG1 3.39Å; I795-T798 PolarHBondContact O-N 3.15Å; G796-T798 PolarHBondContact O-N 3.15Å; T798-Y800 PolarHBondContact O-N 3.35Å; T798-T801 PolarHBondContact O-N 3.48Å; T798-T802 WeakPolarHBondContact O-CG2 3.41Å; T798-T802 PolarHBondContact O-N 3.01Å; T798-T802 PolarHBondContact O-OG1 3.39Å; T798-V840 HydrophobicContact CG2-CG1 4.25Å; T798-M844 WeakPolarHBondContact OG1-CB 3.4Å; T798-L845 HydrophobicContact CG2-CD1 4.08Å; T798-L845 HydrophobicContact CG2-CG 4.3Å; T798-L845 VanDerWaalsContact OG1-CD2 3.27Å; T798-L845 WeakPolarHBondContact OG1-CD2 3.37Å; T798-L845 WeakPolarHBondContact OG1-CG 3.4Å
799	M	89.5	Confident	85.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.6	-40.2	-176.7	-69.8	-50.7	-41.1	0	0	113.2	Y675 L678 M772 C775 A779 I795 G796 F797 T802 C803	Y675-M799 HydrophobicContact CD1-CE 4.13Å; Y675-M799 HydrophobicContact CD1-SD 4.39Å; Y675-M799 HydrophobicContact CE1-CE 3.95Å; Y675-M799 HydrophobicContact CE1-SD 4.42Å; L678-M799 HydrophobicContact CB-SD 4.5Å; L678-M799 HydrophobicContact CD1-SD 4.04Å; M772-M799 HydrophobicContact CB-CE 4.38Å; M772-M799 HydrophobicContact CG-CE 3.64Å; M772-M799 WeakPolarHBondContact O-CE 3.44Å; C775-M799 HydrophobicContact CB-CE 3.42Å; C775-M799 VanDerWaalsContact CB-CE 3.42Å; C775-M799 HydrophobicContact CB-CG 4.17Å; C775-M799 HydrophobicContact CB-SD 3.59Å; C775-M799 VanDerWaalsContact CB-SD 3.59Å; A779-M799 HydrophobicContact CB-CB 4.45Å; A779-M799 HydrophobicContact CB-CG 4.36Å; I795-M799 WeakPolarHBondContact O-CG 3.5Å; I795-M799 PolarHBondContact O-N 3.24Å; G796-M799 PolarHBondContact O-N 3.41Å; F797-M799 VanDerWaalsContact C-N 3.34Å; F797-M799 PolarHBondContact O-N 2.94Å; M799-T802 WeakPolarHBondContact CA-OG1 3.46Å; M799-T802 PolarHBondContact O-OG1 3.24Å; M799-C803 WeakPolarHBondContact O-CB 3.21Å; M799-C803 PolarHBondContact O-N 3.41Å; M799-C803 PolarHBondContact O-SG 2.99Å; M799-C803 VanDerWaalsContact O-SG 3.35Å
800	Y	90.8	Very high	86.5	Confident	72 Å²	72	48.1 Å²	48.1	28%	0.282	25%	0.252	S	S	.	.	H	α-helix	trans	-64.5	-45.4	177.5	-56.9	-40.6	0	0	0	111.5	T776 I780 G796 F797 T798 C803 I804	T776-Y800 HydrophobicContact CG2-CD1 3.96Å; T776-Y800 HydrophobicContact CG2-CE1 4Å; I780-Y800 HydrophobicContact CD1-CE1 4.37Å; I780-Y800 HydrophobicContact CG1-CE1 3.82Å; I780-Y800 WeakPolarHBondContact CG1-OH 3.12Å; G796-Y800 WeakPolarHBondContact O-CD2 3.5Å; G796-Y800 WeakPolarHBondContact O-CE2 3.5Å; G796-Y800 VanDerWaalsContact O-CG 3.22Å; G796-Y800 PolarHBondContact O-N 3.46Å; F797-Y800 PolarHBondContact O-N 3.08Å; T798-Y800 PolarHBondContact O-N 3.35Å; Y800-C803 PolarHBondContact O-N 3.33Å; Y800-I804 WeakPolarHBondContact O-CG1 3.1Å; Y800-I804 PolarHBondContact O-N 3.34Å; Y800-I804 VanDerWaalsContact O-N 3.16Å
801	T	91.7	Very high	87.7	Confident	47 Å²	47	46.4 Å²	46.4	29%	0.288	25%	0.247	S	C	.	.	H	α-helix	trans	-67.6	-39.2	179.2	-59.3	0	0	0	0	111.9	F797 T798 C803 I804 I805 V840 M844	F797-T801 PolarHBondContact O-N 3.14Å; F797-T801 PolarHBondContact O-OG1 3.05Å; T798-T801 PolarHBondContact O-N 3.48Å; T801-C803 PolarHBondContact O-N 3.1Å; T801-I804 PolarHBondContact O-N 3.48Å; T801-I805 HydrophobicContact CG2-CD1 4.33Å; T801-I805 WeakPolarHBondContact O-CG1 3.43Å; T801-I805 PolarHBondContact O-N 2.95Å; T801-V840 HydrophobicContact CG2-CB 4.47Å; T801-V840 HydrophobicContact CG2-CG1 3.87Å; T801-V840 HydrophobicContact CG2-CG2 3.71Å; T801-M844 HydrophobicContact CG2-CE 4.41Å
802	T	90.8	Very high	88.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.9	-39.9	173.5	54.1	0	0	0	0	112.1	T798 M799 I804 I805 W806 S837 V840	T798-T802 WeakPolarHBondContact O-CG2 3.41Å; T798-T802 PolarHBondContact O-N 3.01Å; T798-T802 PolarHBondContact O-OG1 3.39Å; M799-T802 WeakPolarHBondContact CA-OG1 3.46Å; M799-T802 PolarHBondContact O-OG1 3.24Å; T802-I804 VanDerWaalsContact C-N 3.31Å; T802-I804 PolarHBondContact O-N 3.32Å; T802-I805 PolarHBondContact O-N 3.04Å; T802-W806 VanDerWaalsContact O-CD1 3.26Å; T802-W806 PolarHBondContact O-N 3.01Å; T802-W806 VanDerWaalsContact O-N 3.08Å; T802-S837 WeakPolarHBondContact CG2-OG 3.28Å; T802-V840 HydrophobicContact CG2-CB 4.45Å; T802-V840 HydrophobicContact CG2-CG1 4.13Å
803	C	90.7	Very high	88.5	Confident	21 Å²	21	48.1 Å²	48.1	14%	0.142	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-39.9	175.2	-77.5	0	0	0	0	112.6	T776 M799 Y800 T801 W806 L807	T776-C803 PolarHBondContact OG1-SG 3.39Å; M799-C803 WeakPolarHBondContact O-CB 3.21Å; M799-C803 PolarHBondContact O-N 3.41Å; M799-C803 PolarHBondContact O-SG 2.99Å; M799-C803 VanDerWaalsContact O-SG 3.35Å; Y800-C803 PolarHBondContact O-N 3.33Å; T801-C803 PolarHBondContact O-N 3.1Å; C803-W806 PolarHBondContact O-N 3.05Å; C803-L807 WeakPolarHBondContact O-CB 3.34Å; C803-L807 VanDerWaalsContact O-CG 3.27Å; C803-L807 WeakPolarHBondContact O-CG 3.39Å; C803-L807 PolarHBondContact O-N 3.25Å
804	I	92.1	Very high	88.5	Confident	116 Å²	116	47.5 Å²	47.5	60%	0.595	25%	0.252	S	S	*	.	H	α-helix	trans	-64.2	-43.4	177.1	-67.8	161.1	0	0	0	111.1	Y800 T801 T802 W806 L807 A808	Y800-I804 WeakPolarHBondContact O-CG1 3.1Å; Y800-I804 PolarHBondContact O-N 3.34Å; Y800-I804 VanDerWaalsContact O-N 3.16Å; T801-I804 PolarHBondContact O-N 3.48Å; T802-I804 VanDerWaalsContact C-N 3.31Å; T802-I804 PolarHBondContact O-N 3.32Å; I804-W806 VanDerWaalsContact C-N 3.35Å; I804-W806 PolarHBondContact O-N 3.43Å; I804-L807 PolarHBondContact O-N 3.25Å; I804-A808 PolarHBondContact O-N 3.24Å
805	I	91.8	Very high	88.3	Confident	27 Å²	27	48.5 Å²	48.5	14%	0.138	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-44.9	177.5	-66.7	163	0	0	0	111.1	T801 T802 A808 F809 L836 V840	T801-I805 HydrophobicContact CG2-CD1 4.33Å; T801-I805 WeakPolarHBondContact O-CG1 3.43Å; T801-I805 PolarHBondContact O-N 2.95Å; T802-I805 PolarHBondContact O-N 3.04Å; I805-A808 PolarHBondContact O-N 2.96Å; I805-F809 PolarHBondContact O-N 3.46Å; I805-L836 HydrophobicContact CD1-CB 4.03Å; I805-L836 HydrophobicContact CG2-CB 4.48Å; I805-V840 HydrophobicContact CD1-CG2 3.91Å
806	W	89.9	Confident	87.9	Confident	7 Å²	7	49.6 Å²	49.6	3%	0.027	28%	0.278	C	S	.	.	H	α-helix	trans	-74.1	-30.2	-179.8	-77	102.3	0	0	0	113.7	M671 Y675 L765 M772 T802 C803 I804 F809 L834 S837	M671-W806 HydrophobicContact CE-CZ2 3.83Å; M671-W806 HydrophobicContact CG-CZ2 4.26Å; M671-W806 HydrophobicContact SD-CZ2 4.11Å; Y675-W806 PolarHBondContact OH-NE1 3.43Å; L765-W806 HydrophobicContact CD1-CH2 4.46Å; L765-W806 HydrophobicContact CD1-CZ3 4.15Å; L765-W806 HydrophobicContact CD2-CH2 4Å; L765-W806 HydrophobicContact CD2-CZ3 4.39Å; M772-W806 HydrophobicContact CE-CB 3.81Å; M772-W806 HydrophobicContact CE-CG 4.21Å; M772-W806 HydrophobicContact SD-CB 4.04Å; M772-W806 VanDerWaalsContact SD-CD1 3.51Å; M772-W806 HydrophobicContact SD-CG 3.96Å; T802-W806 VanDerWaalsContact O-CD1 3.26Å; T802-W806 PolarHBondContact O-N 3.01Å; T802-W806 VanDerWaalsContact O-N 3.08Å; C803-W806 PolarHBondContact O-N 3.05Å; I804-W806 VanDerWaalsContact C-N 3.35Å; I804-W806 PolarHBondContact O-N 3.43Å; W806-F809 HydrophobicContact CE3-CB 4.33Å; W806-F809 AromaticContact CE3-CD1 3.91Å; W806-F809 HydrophobicContact CE3-CD1 3.91Å; W806-F809 HydrophobicContact CE3-CG 4.22Å; W806-F809 AromaticContact CZ3-CD1 3.87Å; W806-F809 HydrophobicContact CZ3-CD1 3.87Å; W806-F809 HydrophobicContact CZ3-CE1 4.19Å; W806-F809 HydrophobicContact CZ3-CG 4.22Å; W806-F809 PolarHBondContact O-N 3.21Å; W806-L834 HydrophobicContact CH2-CD2 3.9Å; W806-L834 HydrophobicContact CH2-CG 4.39Å; W806-L834 HydrophobicContact CZ2-CD2 3.89Å; W806-S837 PolarHBondContact NE1-OG 2.89Å
807	L	88.9	Confident	87	Confident	123 Å²	123	51.5 Å²	51.5	64%	0.644	29%	0.29	S	S	*	.	H	α-helix	trans	-68.6	-33.1	170.5	-74.7	169.5	0	0	0	112.4	C803 I804 P811	C803-L807 WeakPolarHBondContact O-CB 3.34Å; C803-L807 VanDerWaalsContact O-CG 3.27Å; C803-L807 WeakPolarHBondContact O-CG 3.39Å; C803-L807 PolarHBondContact O-N 3.25Å; I804-L807 PolarHBondContact O-N 3.25Å; L807-P811 WeakPolarHBondContact O-CD 3.35Å
808	A	90	Very high	85.8	Confident	49 Å²	49	54.5 Å²	54.5	41%	0.405	31%	0.305	S	S	.	.	H	α-helix	trans	-74.9	-33.3	174.4	0	0	0	0	0	113	I804 I805 P811 I812	I804-A808 PolarHBondContact O-N 3.24Å; I805-A808 PolarHBondContact O-N 2.96Å; A808-P811 WeakPolarHBondContact O-CD 3.44Å; A808-P811 WeakPolarHBondContact O-CG 3.42Å; A808-I812 WeakPolarHBondContact O-CD1 3.37Å; A808-I812 VanDerWaalsContact O-CG1 3.32Å; A808-I812 WeakPolarHBondContact O-CG1 3.4Å
809	F	88.8	Confident	84.8	Confident	8 Å²	8	56.4 Å²	56.4	4%	0.035	32%	0.319	C	S	.	.	H	α-helix	trans	-57.9	-49	178.6	168.1	-100.9	0	0	0	113	L765 I805 W806 I812 F813 T829 L830	L765-F809 HydrophobicContact CD1-CE1 4.38Å; I805-F809 PolarHBondContact O-N 3.46Å; W806-F809 HydrophobicContact CE3-CB 4.33Å; W806-F809 AromaticContact CE3-CD1 3.91Å; W806-F809 HydrophobicContact CE3-CD1 3.91Å; W806-F809 HydrophobicContact CE3-CG 4.22Å; W806-F809 AromaticContact CZ3-CD1 3.87Å; W806-F809 HydrophobicContact CZ3-CD1 3.87Å; W806-F809 HydrophobicContact CZ3-CE1 4.19Å; W806-F809 HydrophobicContact CZ3-CG 4.22Å; W806-F809 PolarHBondContact O-N 3.21Å; F809-I812 PolarHBondContact O-N 2.74Å; F809-F813 HydrophobicContact CE1-CB 4.22Å; F809-F813 HydrophobicContact CE1-CG 4.42Å; F809-F813 HydrophobicContact CE2-CB 4.02Å; F809-F813 HydrophobicContact CE2-CD2 4.11Å; F809-F813 HydrophobicContact CE2-CG 4.35Å; F809-F813 HydrophobicContact CZ-CB 3.82Å; F809-F813 AromaticContact CZ-CD2 3.76Å; F809-F813 HydrophobicContact CZ-CD2 3.76Å; F809-F813 AromaticContact CZ-CG 3.84Å; F809-F813 HydrophobicContact CZ-CG 3.84Å; F809-F813 WeakPolarHBondContact O-CB 3.19Å; F809-F813 PolarHBondContact O-N 3.07Å; F809-T829 HydrophobicContact CD2-CG2 4.03Å; F809-T829 HydrophobicContact CE2-CG2 4.43Å; F809-L830 HydrophobicContact CE2-CB 3.95Å; F809-L830 HydrophobicContact CE2-CD1 3.82Å; F809-L830 HydrophobicContact CZ-CB 4.49Å; F809-L830 HydrophobicContact CZ-CD1 3.8Å
810	I	84.9	Confident	83.5	Confident	75 Å²	75	60.3 Å²	60.3	39%	0.385	35%	0.351	S	S	.	.	H	α-helix	trans	-55.8	-54.1	-171.7	-64.4	168.1	0	0	0	113.4	I812 F813 F814	I810-I812 VanDerWaalsContact C-N 3.33Å; I810-I812 PolarHBondContact O-N 3.01Å; I810-F813 PolarHBondContact O-N 3.4Å; I810-F814 HydrophobicContact CG2-CD2 4.12Å; I810-F814 HydrophobicContact CG2-CE2 4.25Å; I810-F814 WeakPolarHBondContact O-CD2 3.48Å; I810-F814 PolarHBondContact O-N 2.83Å
811	P	87	Confident	82.5	Confident	83 Å²	83	61.5 Å²	61.5	54%	0.539	36%	0.359	S	S	.	.	H	α-helix	trans	-66.9	-31.4	-180	25.8	-34.8	0	0	0	113.2	L807 A808 G815	L807-P811 WeakPolarHBondContact O-CD 3.35Å; A808-P811 WeakPolarHBondContact O-CD 3.44Å; A808-P811 WeakPolarHBondContact O-CG 3.42Å; P811-G815 PolarHBondContact O-N 3.1Å
812	I	87.4	Confident	81.8	Confident	83 Å²	83	62.1 Å²	62.1	43%	0.426	36%	0.356	S	S	.	.	H	α-helix	trans	-69.2	-44.9	177.5	-59.9	169.8	0	0	0	110.3	A808 F809 I810 F814 G815 T816 T829	A808-I812 WeakPolarHBondContact O-CD1 3.37Å; A808-I812 VanDerWaalsContact O-CG1 3.32Å; A808-I812 WeakPolarHBondContact O-CG1 3.4Å; F809-I812 PolarHBondContact O-N 2.74Å; I810-I812 VanDerWaalsContact C-N 3.33Å; I810-I812 PolarHBondContact O-N 3.01Å; I812-F814 VanDerWaalsContact C-N 3.34Å; I812-F814 PolarHBondContact O-N 2.89Å; I812-G815 PolarHBondContact O-N 3.15Å; I812-T816 HydrophobicContact CG2-CG2 4.49Å; I812-T816 VanDerWaalsContact O-CG2 3.29Å; I812-T816 WeakPolarHBondContact O-CG2 3.42Å; I812-T816 PolarHBondContact O-N 3.39Å; I812-T816 PolarHBondContact O-OG1 3.31Å; I812-T829 HydrophobicContact CB-CG2 4.16Å; I812-T829 HydrophobicContact CG2-CG2 3.68Å
813	F	84.2	Confident	81.2	Confident	3 Å²	3	63.9 Å²	63.9	1%	0.013	37%	0.365	C	S	.	.	H	α-helix	trans	-60.3	-41.4	179.9	179.5	-92.4	0	0	0	112.7	D758 L761 I762 F809 I810 T816 Q826	D758-F813 HydrophobicContact CB-CE1 4.17Å; D758-F813 HydrophobicContact CB-CZ 4.38Å; L761-F813 HydrophobicContact CD2-CD2 4.25Å; L761-F813 HydrophobicContact CD2-CE1 4.32Å; L761-F813 HydrophobicContact CD2-CE2 3.28Å; L761-F813 HydrophobicContact CD2-CZ 3.34Å; I762-F813 HydrophobicContact CD1-CD1 4.47Å; I762-F813 HydrophobicContact CD1-CE1 4.26Å; F809-F813 HydrophobicContact CE1-CB 4.22Å; F809-F813 HydrophobicContact CE1-CG 4.42Å; F809-F813 HydrophobicContact CE2-CB 4.02Å; F809-F813 HydrophobicContact CE2-CD2 4.11Å; F809-F813 HydrophobicContact CE2-CG 4.35Å; F809-F813 HydrophobicContact CZ-CB 3.82Å; F809-F813 AromaticContact CZ-CD2 3.76Å; F809-F813 HydrophobicContact CZ-CD2 3.76Å; F809-F813 AromaticContact CZ-CG 3.84Å; F809-F813 HydrophobicContact CZ-CG 3.84Å; F809-F813 WeakPolarHBondContact O-CB 3.19Å; F809-F813 PolarHBondContact O-N 3.07Å; I810-F813 PolarHBondContact O-N 3.4Å; F813-T816 PolarHBondContact O-OG1 3.27Å; F813-Q826 HydrophobicContact CD2-CB 4.07Å; F813-Q826 HydrophobicContact CD2-CG 3.95Å; F813-Q826 HydrophobicContact CE2-CB 3.79Å; F813-Q826 HydrophobicContact CE2-CG 3.82Å; F813-Q826 HydrophobicContact CZ-CG 4.46Å; F813-Q826 PolarHBondContact O-NE2 3.36Å
814	F	82.6	Confident	80.7	Confident	103 Å²	103	64.7 Å²	64.7	45%	0.452	37%	0.366	S	S	.	.	H	α-helix	trans	-79.5	-41	177.4	-79.6	-63.8	0	0	0	113.5	I762 I810 I812 T816 S817	I762-F814 HydrophobicContact CD1-CE1 3.91Å; I762-F814 HydrophobicContact CD1-CE2 3.69Å; I762-F814 HydrophobicContact CD1-CZ 3.19Å; I810-F814 HydrophobicContact CG2-CD2 4.12Å; I810-F814 HydrophobicContact CG2-CE2 4.25Å; I810-F814 WeakPolarHBondContact O-CD2 3.48Å; I810-F814 PolarHBondContact O-N 2.83Å; I812-F814 VanDerWaalsContact C-N 3.34Å; I812-F814 PolarHBondContact O-N 2.89Å; F814-T816 PolarHBondContact O-N 3.06Å; F814-T816 VanDerWaalsContact O-N 3.15Å; F814-S817 VanDerWaalsContact O-CB 3.27Å; F814-S817 WeakPolarHBondContact O-CB 3.02Å; F814-S817 PolarHBondContact O-N 3.15Å; F814-S817 VanDerWaalsContact O-N 3.14Å; F814-S817 PolarHBondContact O-OG 3.04Å
815	G	80	Confident	80.3	Confident	65 Å²	65	60.8 Å²	60.8	67%	0.67	35%	0.345	S	S	*	.	H	α-helix	trans	-63.3	-21.1	-177.9	0	0	0	0	0	114.1	P811 I812	P811-G815 PolarHBondContact O-N 3.1Å; I812-G815 PolarHBondContact O-N 3.15Å
816	T	80	Confident	80	Confident	26 Å²	26	60.4 Å²	60.4	16%	0.16	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-4	-179.9	53.1	0	0	0	0	113.8	I812 F813 F814 Q818 S819 I825	I812-T816 HydrophobicContact CG2-CG2 4.49Å; I812-T816 VanDerWaalsContact O-CG2 3.29Å; I812-T816 WeakPolarHBondContact O-CG2 3.42Å; I812-T816 PolarHBondContact O-N 3.39Å; I812-T816 PolarHBondContact O-OG1 3.31Å; F813-T816 PolarHBondContact O-OG1 3.27Å; F814-T816 PolarHBondContact O-N 3.06Å; F814-T816 VanDerWaalsContact O-N 3.15Å; T816-Q818 PolarHBondContact O-N 3.45Å; T816-S819 WeakPolarHBondContact O-CB 3.47Å; T816-S819 PolarHBondContact O-N 3.32Å; T816-S819 VanDerWaalsContact O-N 3.13Å; T816-S819 PolarHBondContact O-OG 2.93Å; T816-I825 HydrophobicContact CG2-CB 4.45Å; T816-I825 HydrophobicContact CG2-CG2 3.56Å
817	S	67.4	Low	79.8	Confident	47 Å²	47	61.2 Å²	61.2	33%	0.329	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.5	-176.8	59.3	0	0	0	0	115.2	F814	F814-S817 VanDerWaalsContact O-CB 3.27Å; F814-S817 WeakPolarHBondContact O-CB 3.02Å; F814-S817 PolarHBondContact O-N 3.15Å; F814-S817 VanDerWaalsContact O-N 3.14Å; F814-S817 PolarHBondContact O-OG 3.04Å
818	Q	63.4	Low	79.8	Confident	189 Å²	189	56 Å²	56	88%	0.883	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	2.9	179	-64.2	-176.1	-12.4	0	0	114	T816	T816-Q818 PolarHBondContact O-N 3.45Å
819	S	69.8	Low	79.7	Confident	41 Å²	41	54.8 Å²	54.8	29%	0.287	31%	0.309	S	S	.	.	S	Bend	trans	-89.9	144.1	-175.7	68.1	0	0	0	0	112.9	T816 E821 R822	T816-S819 WeakPolarHBondContact O-CB 3.47Å; T816-S819 PolarHBondContact O-N 3.32Å; T816-S819 VanDerWaalsContact O-N 3.13Å; T816-S819 PolarHBondContact O-OG 2.93Å; S819-E821 PolarHBondContact O-N 3.27Å; S819-E821 VanDerWaalsContact O-N 3.1Å; S819-R822 VanDerWaalsContact O-CB 3.25Å; S819-R822 WeakPolarHBondContact O-CB 3.27Å; S819-R822 PolarHBondContact O-N 3.36Å; S819-R822 PolarHBondContact OG-N 3.38Å
820	A	61	Low	79.7	Confident	82 Å²	82	54.5 Å²	54.5	68%	0.678	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-15	175.3	0	0	0	0	0	113.8	Q740	Q740-A820 PolarHBondContact NE2-O 3.21Å
821	E	69.4	Low	79.9	Confident	97 Å²	97	51 Å²	51	45%	0.453	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	12.4	174.9	-60.5	-164.6	136.4	0	0	113.4	S819 M823 Y824 I825	S819-E821 PolarHBondContact O-N 3.27Å; S819-E821 VanDerWaalsContact O-N 3.1Å; E821-M823 VanDerWaalsContact C-N 3.27Å; E821-M823 PolarHBondContact O-N 2.73Å; E821-Y824 HydrophobicContact CB-CD2 4.2Å; E821-Y824 WeakPolarHBondContact O-CB 3.38Å; E821-Y824 PolarHBondContact O-N 3.48Å; E821-I825 HydrophobicContact CB-CD1 4Å; E821-I825 HydrophobicContact CB-CG1 4.26Å; E821-I825 PolarHBondContact O-N 2.89Å; E821-I825 VanDerWaalsContact O-N 3.12Å
822	R	77.7	Confident	80.2	Confident	59 Å²	59	49.2 Å²	49.2	22%	0.223	28%	0.276	C	S	.	.	H	α-helix	trans	-37	-52.4	-177.7	174	-172.6	177.8	-175.6	8.9	113.8	E739 D758 S819 Y824 I825 Q826	E739-R822 IonicContact OE1-CZ 2.82Å; E739-R822 IonicContact OE1-NH1 2.66Å; E739-R822 PolarHBondContact OE1-NH1 3.21Å; D758-R822 IonicContact OD1-CZ 2.72Å; D758-R822 IonicContact OD1-NH2 3.85Å; D758-R822 PolarHBondContact OD1-NH2 3.44Å; D758-R822 IonicContact OD2-CZ 3.44Å; D758-R822 IonicContact OD2-NH2 3.6Å; D758-R822 PolarHBondContact OD2-NH2 3.46Å; S819-R822 VanDerWaalsContact O-CB 3.25Å; S819-R822 WeakPolarHBondContact O-CB 3.27Å; S819-R822 PolarHBondContact O-N 3.36Å; S819-R822 PolarHBondContact OG-N 3.38Å; R822-Y824 PolarHBondContact O-N 3.16Å; R822-I825 PolarHBondContact O-N 2.81Å; R822-Q826 HydrophobicContact CG-CG 4.27Å; R822-Q826 VanDerWaalsContact NE-OE1 3.14Å; R822-Q826 WeakPolarHBondContact O-CB 3.44Å; R822-Q826 WeakPolarHBondContact O-CG 3.31Å; R822-Q826 PolarHBondContact O-N 2.85Å
823	M	77.4	Confident	80.3	Confident	38 Å²	38	45.9 Å²	45.9	19%	0.187	26%	0.26	C	S	.	.	H	α-helix	trans	-56.4	-45.7	-179.5	-179.7	-174.2	66.1	0	0	112.7	V751 E821 T827	V751-M823 HydrophobicContact CG1-CE 4.05Å; V751-M823 HydrophobicContact CG1-SD 3.49Å; V751-M823 WeakPolarHBondContact CG1-SD 3.4Å; E821-M823 VanDerWaalsContact C-N 3.27Å; E821-M823 PolarHBondContact O-N 2.73Å; M823-T827 VanDerWaalsContact O-CB 3.28Å; M823-T827 WeakPolarHBondContact O-CB 3.41Å; M823-T827 PolarHBondContact O-N 3.13Å; M823-T827 PolarHBondContact O-OG1 3.38Å
824	Y	81.8	Confident	80.7	Confident	38 Å²	38	45.8 Å²	45.8	15%	0.149	26%	0.26	C	S	.	.	H	α-helix	trans	-66	-49.6	-180	-61.3	-83.4	0	0	0	110.2	L589 W595 E821 R822 T828	L589-Y824 HydrophobicContact CD1-CD1 3.6Å; L589-Y824 HydrophobicContact CD1-CE1 3.73Å; W595-Y824 HydrophobicContact CB-CD1 4.46Å; W595-Y824 AromaticContact CD1-CD1 3.85Å; W595-Y824 HydrophobicContact CG-CD1 4.37Å; E821-Y824 HydrophobicContact CB-CD2 4.2Å; E821-Y824 WeakPolarHBondContact O-CB 3.38Å; E821-Y824 PolarHBondContact O-N 3.48Å; R822-Y824 PolarHBondContact O-N 3.16Å; Y824-T828 VanDerWaalsContact O-CB 3.26Å; Y824-T828 WeakPolarHBondContact O-CB 3.19Å; Y824-T828 PolarHBondContact O-N 2.71Å; Y824-T828 PolarHBondContact O-OG1 2.91Å
825	I	83.7	Confident	81.2	Confident	33 Å²	33	40.9 Å²	40.9	17%	0.169	24%	0.238	C	C	.	.	H	α-helix	trans	-69.4	-50.8	-173.1	-56.8	169	0	0	0	110.7	W595 T816 E821 R822 T827 T828 T829	W595-I825 HydrophobicContact CH2-CG1 4.21Å; W595-I825 HydrophobicContact CZ2-CG1 4.48Å; W595-I825 HydrophobicContact CZ3-CG1 4.49Å; T816-I825 HydrophobicContact CG2-CB 4.45Å; T816-I825 HydrophobicContact CG2-CG2 3.56Å; E821-I825 HydrophobicContact CB-CD1 4Å; E821-I825 HydrophobicContact CB-CG1 4.26Å; E821-I825 PolarHBondContact O-N 2.89Å; E821-I825 VanDerWaalsContact O-N 3.12Å; R822-I825 PolarHBondContact O-N 2.81Å; I825-T827 VanDerWaalsContact C-N 3.34Å; I825-T827 PolarHBondContact O-N 2.96Å; I825-T828 PolarHBondContact O-N 3.49Å; I825-T829 PolarHBondContact O-N 3.15Å; I825-T829 PolarHBondContact O-OG1 3.15Å
826	Q	84.6	Confident	81.8	Confident	19 Å²	19	41.4 Å²	41.4	9%	0.089	23%	0.225	C	C	.	.	H	α-helix	trans	-59.9	-41.4	-179	-73.6	-174.6	-40.9	0	0	112.5	F813 R822 L830	F813-Q826 HydrophobicContact CD2-CB 4.07Å; F813-Q826 HydrophobicContact CD2-CG 3.95Å; F813-Q826 HydrophobicContact CE2-CB 3.79Å; F813-Q826 HydrophobicContact CE2-CG 3.82Å; F813-Q826 HydrophobicContact CZ-CG 4.46Å; F813-Q826 PolarHBondContact O-NE2 3.36Å; R822-Q826 HydrophobicContact CG-CG 4.27Å; R822-Q826 VanDerWaalsContact NE-OE1 3.14Å; R822-Q826 WeakPolarHBondContact O-CB 3.44Å; R822-Q826 WeakPolarHBondContact O-CG 3.31Å; R822-Q826 PolarHBondContact O-N 2.85Å; Q826-L830 WeakPolarHBondContact O-CB 3.46Å; Q826-L830 PolarHBondContact O-N 3.47Å
827	T	85.7	Confident	82.4	Confident	24 Å²	24	40.3 Å²	40.3	15%	0.147	22%	0.218	C	C	.	.	H	α-helix	trans	-67.2	-41.5	177.3	-54.1	0	0	0	0	111.9	L589 M651 M823 I825 T831	L589-T827 HydrophobicContact CD2-CG2 4.32Å; M651-T827 HydrophobicContact CB-CG2 4.28Å; M651-T827 HydrophobicContact CE-CG2 4.2Å; M823-T827 VanDerWaalsContact O-CB 3.28Å; M823-T827 WeakPolarHBondContact O-CB 3.41Å; M823-T827 PolarHBondContact O-N 3.13Å; M823-T827 PolarHBondContact O-OG1 3.38Å; I825-T827 VanDerWaalsContact C-N 3.34Å; I825-T827 PolarHBondContact O-N 2.96Å; T827-T831 WeakPolarHBondContact O-CG2 3.31Å; T827-T831 PolarHBondContact O-N 3.17Å; T827-T831 PolarHBondContact O-OG1 3.03Å
828	T	88.3	Confident	83.6	Confident	13 Å²	13	38.2 Å²	38.2	8%	0.08	20%	0.204	C	C	.	.	H	α-helix	trans	-68.4	-47.3	179.7	-55.9	0	0	0	0	111.5	W595 P599 Y824 I825 L830 T831 I832	W595-T828 HydrophobicContact CE3-CG2 4.21Å; W595-T828 PolarHBondContact O-OG1 3.26Å; P599-T828 HydrophobicContact CG-CG2 3.91Å; Y824-T828 VanDerWaalsContact O-CB 3.26Å; Y824-T828 WeakPolarHBondContact O-CB 3.19Å; Y824-T828 PolarHBondContact O-N 2.71Å; Y824-T828 PolarHBondContact O-OG1 2.91Å; I825-T828 PolarHBondContact O-N 3.49Å; T828-L830 PolarHBondContact O-N 3.21Å; T828-T831 PolarHBondContact O-N 3.44Å; T828-T831 PolarHBondContact O-OG1 2.95Å; T828-T831 VanDerWaalsContact O-OG1 3.09Å; T828-I832 HydrophobicContact CG2-CD1 3.72Å; T828-I832 HydrophobicContact CG2-CG1 4.44Å; T828-I832 WeakPolarHBondContact O-CB 3.3Å; T828-I832 VanDerWaalsContact O-CG1 3.31Å; T828-I832 WeakPolarHBondContact O-CG1 3.47Å; T828-I832 PolarHBondContact O-N 3.36Å
829	T	88.8	Confident	85	Confident	24 Å²	24	31.3 Å²	31.3	15%	0.147	18%	0.176	C	C	.	.	H	α-helix	trans	-60.2	-45.5	178.4	-54.8	0	0	0	0	111.3	F809 I812 I825 I832 S833	F809-T829 HydrophobicContact CD2-CG2 4.03Å; F809-T829 HydrophobicContact CE2-CG2 4.43Å; I812-T829 HydrophobicContact CB-CG2 4.16Å; I812-T829 HydrophobicContact CG2-CG2 3.68Å; I825-T829 PolarHBondContact O-N 3.15Å; I825-T829 PolarHBondContact O-OG1 3.15Å; T829-I832 PolarHBondContact O-N 3.18Å; T829-S833 WeakPolarHBondContact O-CB 3.48Å; T829-S833 PolarHBondContact O-N 2.79Å; T829-S833 PolarHBondContact O-OG 3.42Å
830	L	88.4	Confident	86.2	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-61	-48.3	179.3	178	62	0	0	0	112.5	M651 L667 L761 L765 F809 Q826 T828 I832 S833 L834	M651-L830 HydrophobicContact CE-CD2 4.08Å; L667-L830 HydrophobicContact CD1-CD1 4.28Å; L667-L830 HydrophobicContact CD1-CD2 3.98Å; L667-L830 HydrophobicContact CD1-CG 4.4Å; L667-L830 HydrophobicContact CD2-CD2 4.41Å; L761-L830 HydrophobicContact CD1-CD2 4.14Å; L761-L830 HydrophobicContact CD2-CD2 4.22Å; L765-L830 HydrophobicContact CD1-CD1 4.01Å; F809-L830 HydrophobicContact CE2-CB 3.95Å; F809-L830 HydrophobicContact CE2-CD1 3.82Å; F809-L830 HydrophobicContact CZ-CB 4.49Å; F809-L830 HydrophobicContact CZ-CD1 3.8Å; Q826-L830 WeakPolarHBondContact O-CB 3.46Å; Q826-L830 PolarHBondContact O-N 3.47Å; T828-L830 PolarHBondContact O-N 3.21Å; L830-I832 PolarHBondContact O-N 2.98Å; L830-S833 PolarHBondContact O-N 2.8Å; L830-L834 HydrophobicContact CD1-CD1 4.08Å; L830-L834 HydrophobicContact CD1-CG 4.3Å; L830-L834 HydrophobicContact CG-CD1 3.97Å; L830-L834 WeakPolarHBondContact O-CB 3.49Å; L830-L834 VanDerWaalsContact O-CG 3.27Å; L830-L834 WeakPolarHBondContact O-CG 3.46Å; L830-L834 PolarHBondContact O-N 3.32Å
831	T	90.4	Very high	87.6	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-67.3	-34.6	-179	48.8	0	0	0	0	112.9	T648 M651 T827 T828 S835	T648-T831 HydrophobicContact CG2-CG2 4.2Å; M651-T831 HydrophobicContact CB-CG2 3.54Å; M651-T831 HydrophobicContact CG-CG2 3.86Å; T827-T831 WeakPolarHBondContact O-CG2 3.31Å; T827-T831 PolarHBondContact O-N 3.17Å; T827-T831 PolarHBondContact O-OG1 3.03Å; T828-T831 PolarHBondContact O-N 3.44Å; T828-T831 PolarHBondContact O-OG1 2.95Å; T828-T831 VanDerWaalsContact O-OG1 3.09Å; T831-S835 VanDerWaalsContact O-CB 3.3Å; T831-S835 WeakPolarHBondContact O-CB 3.33Å; T831-S835 PolarHBondContact O-N 2.68Å; T831-S835 PolarHBondContact O-OG 2.78Å
832	I	91.9	Very high	88.7	Confident	47 Å²	47	22.4 Å²	22.4	24%	0.241	12%	0.118	C	C	.	.	H	α-helix	trans	-67.1	-47.5	171.7	-69.1	174.3	0	0	0	111	P599 T828 T829 L830 L834 S835 L836	P599-I832 HydrophobicContact CB-CG1 4.42Å; P599-I832 HydrophobicContact CG-CD1 4.36Å; P599-I832 HydrophobicContact CG-CG1 4.03Å; T828-I832 HydrophobicContact CG2-CD1 3.72Å; T828-I832 HydrophobicContact CG2-CG1 4.44Å; T828-I832 WeakPolarHBondContact O-CB 3.3Å; T828-I832 VanDerWaalsContact O-CG1 3.31Å; T828-I832 WeakPolarHBondContact O-CG1 3.47Å; T828-I832 PolarHBondContact O-N 3.36Å; T829-I832 PolarHBondContact O-N 3.18Å; L830-I832 PolarHBondContact O-N 2.98Å; I832-L834 PolarHBondContact O-N 3.02Å; I832-S835 PolarHBondContact O-N 2.99Å; I832-L836 HydrophobicContact CG2-CD1 3.67Å; I832-L836 HydrophobicContact CG2-CG 4.12Å; I832-L836 WeakPolarHBondContact O-CB 3.44Å; I832-L836 VanDerWaalsContact O-CG 3.31Å; I832-L836 WeakPolarHBondContact O-CG 3.39Å; I832-L836 PolarHBondContact O-N 3.08Å
833	S	90.9	Very high	89.3	Confident	12 Å²	12	21.3 Å²	21.3	8%	0.084	13%	0.125	C	C	.	.	H	α-helix	trans	-60.1	-42.4	178.4	-70.5	0	0	0	0	112.6	T829 L830 S837	T829-S833 WeakPolarHBondContact O-CB 3.48Å; T829-S833 PolarHBondContact O-N 2.79Å; T829-S833 PolarHBondContact O-OG 3.42Å; L830-S833 PolarHBondContact O-N 2.8Å; S833-S837 WeakPolarHBondContact O-CB 3.5Å; S833-S837 PolarHBondContact O-N 3.47Å
834	L	90.9	Very high	89.8	Confident	2 Å²	2	22.6 Å²	22.6	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-59.9	-51.2	173.1	-71.5	165	0	0	0	111.4	I647 L667 M671 W806 L830 I832 L836 S837 A838	I647-L834 HydrophobicContact CG2-CD1 4.07Å; L667-L834 HydrophobicContact CD1-CD1 3.85Å; M671-L834 HydrophobicContact CG-CD2 3.55Å; M671-L834 HydrophobicContact SD-CD2 3.6Å; W806-L834 HydrophobicContact CH2-CD2 3.9Å; W806-L834 HydrophobicContact CH2-CG 4.39Å; W806-L834 HydrophobicContact CZ2-CD2 3.89Å; L830-L834 HydrophobicContact CD1-CD1 4.08Å; L830-L834 HydrophobicContact CD1-CG 4.3Å; L830-L834 HydrophobicContact CG-CD1 3.97Å; L830-L834 WeakPolarHBondContact O-CB 3.49Å; L830-L834 VanDerWaalsContact O-CG 3.27Å; L830-L834 WeakPolarHBondContact O-CG 3.46Å; L830-L834 PolarHBondContact O-N 3.32Å; I832-L834 PolarHBondContact O-N 3.02Å; L834-L836 PolarHBondContact O-N 2.97Å; L834-S837 PolarHBondContact O-N 2.58Å; L834-A838 PolarHBondContact O-N 3.1Å
835	S	93.3	Very high	90.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.3	-39.3	-178.1	-61.7	0	0	0	0	112.7	Y645 T648 T831 I832 A838 S839	Y645-S835 WeakPolarHBondContact CE1-O 3.41Å; T648-S835 PolarHBondContact OG1-OG 2.77Å; T831-S835 VanDerWaalsContact O-CB 3.3Å; T831-S835 WeakPolarHBondContact O-CB 3.33Å; T831-S835 PolarHBondContact O-N 2.68Å; T831-S835 PolarHBondContact O-OG 2.78Å; I832-S835 PolarHBondContact O-N 2.99Å; S835-A838 PolarHBondContact O-N 3.25Å; S835-S839 WeakPolarHBondContact O-CB 3.34Å; S835-S839 PolarHBondContact O-N 3.2Å; S835-S839 PolarHBondContact O-OG 3.09Å
836	L	92.8	Very high	90.3	Very high	76 Å²	76	19.7 Å²	19.7	40%	0.398	12%	0.119	S	C	.	.	H	α-helix	trans	-66.3	-41.6	174.6	-71.1	174.2	0	0	0	111.7	I805 I832 L834 A838 S839 V840	I805-L836 HydrophobicContact CD1-CB 4.03Å; I805-L836 HydrophobicContact CG2-CB 4.48Å; I832-L836 HydrophobicContact CG2-CD1 3.67Å; I832-L836 HydrophobicContact CG2-CG 4.12Å; I832-L836 WeakPolarHBondContact O-CB 3.44Å; I832-L836 VanDerWaalsContact O-CG 3.31Å; I832-L836 WeakPolarHBondContact O-CG 3.39Å; I832-L836 PolarHBondContact O-N 3.08Å; L834-L836 PolarHBondContact O-N 2.97Å; L836-A838 VanDerWaalsContact C-N 3.28Å; L836-A838 PolarHBondContact O-N 3.35Å; L836-S839 PolarHBondContact O-N 3.44Å; L836-V840 WeakPolarHBondContact O-CG2 3.12Å; L836-V840 PolarHBondContact O-N 3.14Å
837	S	92.1	Very high	90.4	Very high	2 Å²	2	22 Å²	22	1%	0.014	13%	0.131	C	C	.	.	H	α-helix	trans	-62.4	-35.7	176.8	-160.7	0	0	0	0	112.1	Y675 T802 W806 S833 L834 S841	Y675-S837 PolarHBondContact OH-OG 3.46Å; T802-S837 WeakPolarHBondContact CG2-OG 3.28Å; W806-S837 PolarHBondContact NE1-OG 2.89Å; S833-S837 WeakPolarHBondContact O-CB 3.5Å; S833-S837 PolarHBondContact O-N 3.47Å; L834-S837 PolarHBondContact O-N 2.58Å; S837-S841 PolarHBondContact O-N 3.13Å; S837-S841 PolarHBondContact O-OG 3.09Å
838	A	92.8	Very high	90.4	Very high	3 Å²	3	24 Å²	24	3%	0.025	14%	0.144	C	C	.	.	H	α-helix	trans	-69.2	-46.2	171.8	0	0	0	0	0	112	I641 C644 Y645 L834 S835 L836 V840 S841 L842	I641-A838 HydrophobicContact CG2-CB 4.27Å; C644-A838 HydrophobicContact CB-CB 3.88Å; Y645-A838 HydrophobicContact CD1-CB 4.26Å; Y645-A838 HydrophobicContact CD2-CB 4.28Å; Y645-A838 HydrophobicContact CE1-CB 3.8Å; Y645-A838 HydrophobicContact CE2-CB 3.82Å; Y645-A838 HydrophobicContact CG-CB 4.5Å; L834-A838 PolarHBondContact O-N 3.1Å; S835-A838 PolarHBondContact O-N 3.25Å; L836-A838 VanDerWaalsContact C-N 3.28Å; L836-A838 PolarHBondContact O-N 3.35Å; A838-V840 PolarHBondContact O-N 2.9Å; A838-S841 WeakPolarHBondContact O-CB 3.34Å; A838-S841 PolarHBondContact O-N 2.85Å; A838-S841 VanDerWaalsContact O-N 3.11Å; A838-L842 PolarHBondContact O-N 3.01Å
839	S	93.9	Very high	90.3	Very high	44 Å²	44	25 Å²	25	31%	0.308	15%	0.147	S	C	.	.	H	α-helix	trans	-61.8	-39.9	179.9	-66.5	0	0	0	0	113.3	Y645 S835 L836 S841 L842 G843	Y645-S839 WeakPolarHBondContact OH-CA 3.42Å; Y645-S839 WeakPolarHBondContact OH-CB 3.3Å; Y645-S839 PolarHBondContact OH-N 3.15Å; Y645-S839 VanDerWaalsContact OH-N 3.08Å; Y645-S839 PolarHBondContact OH-OG 3.23Å; S835-S839 WeakPolarHBondContact O-CB 3.34Å; S835-S839 PolarHBondContact O-N 3.2Å; S835-S839 PolarHBondContact O-OG 3.09Å; L836-S839 PolarHBondContact O-N 3.44Å; S839-S841 VanDerWaalsContact C-N 3.35Å; S839-L842 PolarHBondContact O-N 3.22Å; S839-G843 PolarHBondContact O-N 3.14Å
840	V	93.7	Very high	90.2	Very high	24 Å²	24	23.9 Å²	23.9	15%	0.145	14%	0.141	C	C	.	.	H	α-helix	trans	-61.6	-44.6	173.2	169	0	0	0	0	110.8	T798 T801 T802 I805 L836 A838 M844	T798-V840 HydrophobicContact CG2-CG1 4.25Å; T801-V840 HydrophobicContact CG2-CB 4.47Å; T801-V840 HydrophobicContact CG2-CG1 3.87Å; T801-V840 HydrophobicContact CG2-CG2 3.71Å; T802-V840 HydrophobicContact CG2-CB 4.45Å; T802-V840 HydrophobicContact CG2-CG1 4.13Å; I805-V840 HydrophobicContact CD1-CG2 3.91Å; L836-V840 WeakPolarHBondContact O-CG2 3.12Å; L836-V840 PolarHBondContact O-N 3.14Å; A838-V840 PolarHBondContact O-N 2.9Å; V840-M844 HydrophobicContact CG1-CE 4.15Å; V840-M844 HydrophobicContact CG1-SD 4.02Å; V840-M844 WeakPolarHBondContact O-CB 3.42Å; V840-M844 WeakPolarHBondContact O-CG 3.42Å; V840-M844 PolarHBondContact O-N 2.88Å
841	S	90.6	Very high	90.1	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-65	-41.4	179.6	-57.1	0	0	0	0	112.6	S837 A838 S839 L845	S837-S841 PolarHBondContact O-N 3.13Å; S837-S841 PolarHBondContact O-OG 3.09Å; A838-S841 WeakPolarHBondContact O-CB 3.34Å; A838-S841 PolarHBondContact O-N 2.85Å; A838-S841 VanDerWaalsContact O-N 3.11Å; S839-S841 VanDerWaalsContact C-N 3.35Å; S841-L845 VanDerWaalsContact O-CB 3.27Å; S841-L845 WeakPolarHBondContact O-CB 3.41Å; S841-L845 WeakPolarHBondContact O-CG 3.49Å; S841-L845 PolarHBondContact O-N 3.48Å
842	L	92.3	Very high	89.7	Confident	6 Å²	6	32 Å²	32	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-68.9	-49.1	175.7	-172.3	70.3	0	0	0	111.6	A609 V613 L638 I641 A838 S839 Y846 M847	A609-L842 HydrophobicContact CB-CD2 3.7Å; V613-L842 HydrophobicContact CB-CD1 4.2Å; V613-L842 HydrophobicContact CG1-CD1 4.31Å; V613-L842 HydrophobicContact CG2-CD1 4.05Å; L638-L842 HydrophobicContact CD2-CD1 3.99Å; I641-L842 HydrophobicContact CG2-CB 4.37Å; A838-L842 PolarHBondContact O-N 3.01Å; S839-L842 PolarHBondContact O-N 3.22Å; L842-Y846 WeakPolarHBondContact O-CB 3.49Å; L842-Y846 PolarHBondContact O-N 3.24Å; L842-Y846 VanDerWaalsContact O-N 3.11Å; L842-M847 HydrophobicContact CD2-CE 4.1Å; L842-M847 HydrophobicContact CG-CE 4.31Å; L842-M847 PolarHBondContact O-N 2.94Å; L842-M847 VanDerWaalsContact O-N 3.1Å
843	G	90.3	Very high	89.4	Confident	36 Å²	36	30 Å²	30	37%	0.371	17%	0.165	S	C	.	.	H	α-helix	trans	-66.9	-40.2	-174.8	0	0	0	0	0	114	S839 P848	S839-G843 PolarHBondContact O-N 3.14Å; G843-P848 WeakPolarHBondContact O-CD 3.46Å
844	M	88.7	Confident	89	Confident	66 Å²	66	32.5 Å²	32.5	33%	0.325	18%	0.177	S	C	.	.	H	α-helix	trans	-85.8	-31.5	-178.1	-65	-170.4	-178	0	0	113.7	F797 T798 T801 V840	F797-M844 HydrophobicContact CB-SD 3.82Å; T798-M844 WeakPolarHBondContact OG1-CB 3.4Å; T801-M844 HydrophobicContact CG2-CE 4.41Å; V840-M844 HydrophobicContact CG1-CE 4.15Å; V840-M844 HydrophobicContact CG1-SD 4.02Å; V840-M844 WeakPolarHBondContact O-CB 3.42Å; V840-M844 WeakPolarHBondContact O-CG 3.42Å; V840-M844 PolarHBondContact O-N 2.88Å
845	L	87.1	Confident	88.7	Confident	9 Å²	9	39.1 Å²	39.1	5%	0.047	21%	0.206	C	C	.	.	H	α-helix	trans	-101.1	-25.4	-171.6	-57.3	177.9	0	0	0	115.2	L637 L678 P794 I795 T798 S841 K849	L637-L845 HydrophobicContact CD2-CD1 4.07Å; L678-L845 HydrophobicContact CD2-CD1 3.56Å; P794-L845 HydrophobicContact CB-CD2 4.05Å; I795-L845 HydrophobicContact CB-CD2 4.42Å; I795-L845 HydrophobicContact CG1-CD2 3.71Å; T798-L845 HydrophobicContact CG2-CD1 4.08Å; T798-L845 HydrophobicContact CG2-CG 4.3Å; T798-L845 VanDerWaalsContact OG1-CD2 3.27Å; T798-L845 WeakPolarHBondContact OG1-CD2 3.37Å; T798-L845 WeakPolarHBondContact OG1-CG 3.4Å; S841-L845 VanDerWaalsContact O-CB 3.27Å; S841-L845 WeakPolarHBondContact O-CB 3.41Å; S841-L845 WeakPolarHBondContact O-CG 3.49Å; S841-L845 PolarHBondContact O-N 3.48Å; L845-K849 VanDerWaalsContact O-CD 3.3Å; L845-K849 WeakPolarHBondContact O-CD 3.25Å; L845-K849 WeakPolarHBondContact O-CE 3.46Å; L845-K849 PolarHBondContact O-NZ 3.16Å
846	Y	89.2	Confident	88.2	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-41.8	-168.2	-71.2	-75.8	0	0	0	113.9	V613 F617 S634 L637 L638 I641 L842 K849 A850	V613-Y846 HydrophobicContact CG1-CD1 4.23Å; V613-Y846 HydrophobicContact CG1-CG 4.22Å; F617-Y846 AromaticContact CE1-CD1 3.86Å; F617-Y846 HydrophobicContact CE1-CD1 3.86Å; F617-Y846 AromaticContact CE1-CE1 3.85Å; F617-Y846 HydrophobicContact CE1-CE1 3.85Å; F617-Y846 HydrophobicContact CE2-CD1 4.18Å; F617-Y846 AromaticContact CZ-CD1 3.62Å; F617-Y846 HydrophobicContact CZ-CD1 3.62Å; F617-Y846 HydrophobicContact CZ-CE1 4.09Å; S634-Y846 WeakPolarHBondContact CA-OH 3Å; S634-Y846 WeakPolarHBondContact CB-OH 3.44Å; L637-Y846 HydrophobicContact CD2-CE2 3.78Å; L637-Y846 HydrophobicContact CG-CE2 4.05Å; L638-Y846 HydrophobicContact CD1-CD1 4.33Å; L638-Y846 HydrophobicContact CD1-CE1 4.17Å; L638-Y846 HydrophobicContact CD2-CD1 4.28Å; L638-Y846 HydrophobicContact CD2-CD2 4.01Å; L638-Y846 HydrophobicContact CD2-CE1 4.49Å; L638-Y846 HydrophobicContact CD2-CE2 4.23Å; L638-Y846 HydrophobicContact CD2-CG 4.06Å; L638-Y846 HydrophobicContact CG-CE1 4.29Å; L638-Y846 HydrophobicContact CG-CE2 4.4Å; I641-Y846 HydrophobicContact CD1-CE2 4.49Å; L842-Y846 WeakPolarHBondContact O-CB 3.49Å; L842-Y846 PolarHBondContact O-N 3.24Å; L842-Y846 VanDerWaalsContact O-N 3.11Å; Y846-K849 WeakPolarHBondContact O-CB 3.3Å; Y846-K849 PolarHBondContact O-N 3.38Å; Y846-A850 PolarHBondContact O-N 3.09Å
847	M	86.6	Confident	87.4	Confident	67 Å²	67	42 Å²	42	33%	0.33	22%	0.224	S	C	.	.	H	α-helix	trans	-56.2	-42.8	178	-72	-62	-176.8	0	0	113.8	A609 V613 L842 K849 A850 Y851	A609-M847 HydrophobicContact CB-CE 3.81Å; V613-M847 HydrophobicContact CG2-CE 4.02Å; V613-M847 HydrophobicContact CG2-SD 4.03Å; L842-M847 HydrophobicContact CD2-CE 4.1Å; L842-M847 HydrophobicContact CG-CE 4.31Å; L842-M847 PolarHBondContact O-N 2.94Å; L842-M847 VanDerWaalsContact O-N 3.1Å; M847-K849 PolarHBondContact O-N 3.19Å; M847-A850 PolarHBondContact O-N 3.14Å; M847-Y851 VanDerWaalsContact O-CB 3.3Å; M847-Y851 WeakPolarHBondContact O-CB 3.44Å; M847-Y851 PolarHBondContact O-N 3.13Å
848	P	86.3	Confident	86.3	Confident	67 Å²	67	47 Å²	47	44%	0.435	25%	0.248	S	C	.	.	H	α-helix	trans	-61.9	-30.9	174.8	-24.9	35.1	0	0	0	113.5	G843 I852	G843-P848 WeakPolarHBondContact O-CD 3.46Å; P848-I852 WeakPolarHBondContact O-CD1 3.24Å; P848-I852 VanDerWaalsContact O-CG1 3.26Å; P848-I852 WeakPolarHBondContact O-CG1 3.37Å; P848-I852 PolarHBondContact O-N 3.48Å
849	K	86.1	Confident	85.1	Confident	33 Å²	33	51.9 Å²	51.9	14%	0.143	27%	0.27	C	S	.	.	H	α-helix	trans	-78.2	-43.3	178.1	-63.8	173.4	-174.1	156	0	111.5	F617 I625 S629 E791 L845 Y846 M847 Y851 I852 I853	F617-K849 HydrophobicContact CE2-CB 4.37Å; F617-K849 HydrophobicContact CZ-CB 3.94Å; F617-K849 HydrophobicContact CZ-CD 4.13Å; I625-K849 HydrophobicContact CG2-CB 4.26Å; I625-K849 HydrophobicContact CG2-CG 4.3Å; S629-K849 PolarHBondContact OG-NZ 3.37Å; E791-K849 IonicContact OE1-NZ 3.52Å; E791-K849 PolarHBondContact OE1-NZ 3.18Å; L845-K849 VanDerWaalsContact O-CD 3.3Å; L845-K849 WeakPolarHBondContact O-CD 3.25Å; L845-K849 WeakPolarHBondContact O-CE 3.46Å; L845-K849 PolarHBondContact O-NZ 3.16Å; Y846-K849 WeakPolarHBondContact O-CB 3.3Å; Y846-K849 PolarHBondContact O-N 3.38Å; M847-K849 PolarHBondContact O-N 3.19Å; K849-Y851 VanDerWaalsContact C-N 3.31Å; K849-I852 PolarHBondContact O-N 3.45Å; K849-I853 WeakPolarHBondContact O-CB 3.3Å; K849-I853 WeakPolarHBondContact O-CD1 3.31Å; K849-I853 WeakPolarHBondContact O-CG1 3.46Å; K849-I853 PolarHBondContact O-N 3.33Å
850	A	86	Confident	83.8	Confident	2 Å²	2	50.9 Å²	50.9	2%	0.017	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-42.2	174.6	0	0	0	0	0	110.9	V613 Y846 M847 I853 L854	V613-A850 HydrophobicContact CG2-CB 4.4Å; Y846-A850 PolarHBondContact O-N 3.09Å; M847-A850 PolarHBondContact O-N 3.14Å; A850-I853 PolarHBondContact O-N 3.1Å; A850-L854 WeakPolarHBondContact O-CB 3.47Å; A850-L854 WeakPolarHBondContact O-CG 3.33Å; A850-L854 PolarHBondContact O-N 3.1Å
851	Y	86.1	Confident	82.7	Confident	123 Å²	123	54 Å²	54	48%	0.482	28%	0.28	S	S	.	.	H	α-helix	trans	-57.2	-50.9	173.5	-178.9	-101.3	0	0	0	112.1	M847 K849 I853 L854 F855 H856	M847-Y851 VanDerWaalsContact O-CB 3.3Å; M847-Y851 WeakPolarHBondContact O-CB 3.44Å; M847-Y851 PolarHBondContact O-N 3.13Å; K849-Y851 VanDerWaalsContact C-N 3.31Å; Y851-I853 PolarHBondContact O-N 3.46Å; Y851-L854 PolarHBondContact O-N 2.84Å; Y851-F855 HydrophobicContact CD2-CB 4.37Å; Y851-F855 AromaticContact CD2-CD2 3.48Å; Y851-F855 HydrophobicContact CD2-CD2 3.48Å; Y851-F855 VanDerWaalsContact CD2-CD2 3.48Å; Y851-F855 HydrophobicContact CD2-CE2 4.09Å; Y851-F855 HydrophobicContact CD2-CG 4.17Å; Y851-F855 HydrophobicContact CE2-CB 4.04Å; Y851-F855 AromaticContact CE2-CD2 3.69Å; Y851-F855 HydrophobicContact CE2-CD2 3.69Å; Y851-F855 HydrophobicContact CE2-CE2 4.37Å; Y851-F855 AromaticContact CE2-CG 3.95Å; Y851-F855 HydrophobicContact CE2-CG 3.95Å; Y851-F855 HydrophobicContact CG-CD2 4.3Å; Y851-F855 WeakPolarHBondContact O-CB 3.46Å; Y851-F855 PolarHBondContact O-N 3.29Å; Y851-H856 AromaticContact CE1-CD2 3.48Å; Y851-H856 VanDerWaalsContact CE1-CD2 3.48Å; Y851-H856 WeakPolarHBondContact CE1-CD2 3.29Å; Y851-H856 AromaticContact CE1-NE2 3.79Å; Y851-H856 AromaticContact CZ-CD2 3.94Å; Y851-H856 AromaticContact CZ-NE2 3.94Å; Y851-H856 PolarHBondContact OH-NE2 3.04Å
852	I	82.9	Confident	81.2	Confident	49 Å²	49	58.8 Å²	58.8	25%	0.251	31%	0.311	S	S	.	.	H	α-helix	trans	-63.6	-40.7	178	-65.9	164.1	0	0	0	111.8	I625 P848 K849 L854 H856 Q859	I625-I852 HydrophobicContact CD1-CB 4.37Å; I625-I852 HydrophobicContact CD1-CG2 3.53Å; P848-I852 WeakPolarHBondContact O-CD1 3.24Å; P848-I852 VanDerWaalsContact O-CG1 3.26Å; P848-I852 WeakPolarHBondContact O-CG1 3.37Å; P848-I852 PolarHBondContact O-N 3.48Å; K849-I852 PolarHBondContact O-N 3.45Å; I852-L854 VanDerWaalsContact C-N 3.3Å; I852-L854 PolarHBondContact O-N 2.67Å; I852-H856 HydrophobicContact CG2-CB 4.33Å; I852-H856 CarbonylContact O-C 3.5Å; I852-H856 WeakPolarHBondContact O-CA 3.39Å; I852-H856 PolarHBondContact O-N 3.48Å; I852-H856 VanDerWaalsContact O-N 3.09Å; I852-H856 VanDerWaalsContact O-O 3.11Å; I852-Q859 HydrophobicContact CG2-CB 3.99Å
853	I	84.6	Confident	79.3	Confident	7 Å²	7	67.5 Å²	67.5	4%	0.036	35%	0.349	C	S	.	.	H	α-helix	trans	-63.9	-33.9	-179.8	-71.9	163.8	0	0	0	112.2	T616 F617 Y620 I625 V626 K849 A850 Y851	T616-I853 HydrophobicContact CG2-CG2 4.04Å; F617-I853 HydrophobicContact CE2-CD1 4.26Å; Y620-I853 HydrophobicContact CD1-CG2 4.42Å; Y620-I853 HydrophobicContact CD2-CG2 3.69Å; Y620-I853 HydrophobicContact CE2-CG2 4.28Å; Y620-I853 HydrophobicContact CG-CG2 3.77Å; I625-I853 HydrophobicContact CB-CG1 4.45Å; I625-I853 HydrophobicContact CD1-CG1 4.34Å; I625-I853 HydrophobicContact CG2-CD1 4.17Å; I625-I853 HydrophobicContact CG2-CG1 4.38Å; V626-I853 HydrophobicContact CG2-CD1 3.65Å; K849-I853 WeakPolarHBondContact O-CB 3.3Å; K849-I853 WeakPolarHBondContact O-CD1 3.31Å; K849-I853 WeakPolarHBondContact O-CG1 3.46Å; K849-I853 PolarHBondContact O-N 3.33Å; A850-I853 PolarHBondContact O-N 3.1Å; Y851-I853 PolarHBondContact O-N 3.46Å
854	L	83.7	Confident	76.7	Confident	64 Å²	64	77.3 Å²	77.3	34%	0.335	38%	0.375	S	S	.	.	H	α-helix	trans	-95.9	-42.1	-174.8	-66	172.4	0	0	0	113.9	F612 T616 Y620 A850 Y851 I852	F612-L854 HydrophobicContact CE1-CD1 4.09Å; F612-L854 HydrophobicContact CE2-CD1 4.48Å; F612-L854 HydrophobicContact CZ-CD1 3.55Å; T616-L854 HydrophobicContact CG2-CD1 4.21Å; T616-L854 HydrophobicContact CG2-CD2 4.14Å; T616-L854 HydrophobicContact CG2-CG 4.1Å; Y620-L854 HydrophobicContact CE2-CD2 3.99Å; A850-L854 WeakPolarHBondContact O-CB 3.47Å; A850-L854 WeakPolarHBondContact O-CG 3.33Å; A850-L854 PolarHBondContact O-N 3.1Å; Y851-L854 PolarHBondContact O-N 2.84Å; I852-L854 VanDerWaalsContact C-N 3.3Å; I852-L854 PolarHBondContact O-N 2.67Å
855	F	84.6	Confident	74.6	Confident	140 Å²	140	84.1 Å²	84.1	61%	0.614	40%	0.403	S	S	*	.	H	α-helix	trans	-103.9	-19.3	-173.2	-64.1	-82	0	0	0	114.1	Y851 P857	Y851-F855 HydrophobicContact CD2-CB 4.37Å; Y851-F855 AromaticContact CD2-CD2 3.48Å; Y851-F855 HydrophobicContact CD2-CD2 3.48Å; Y851-F855 VanDerWaalsContact CD2-CD2 3.48Å; Y851-F855 HydrophobicContact CD2-CE2 4.09Å; Y851-F855 HydrophobicContact CD2-CG 4.17Å; Y851-F855 HydrophobicContact CE2-CB 4.04Å; Y851-F855 AromaticContact CE2-CD2 3.69Å; Y851-F855 HydrophobicContact CE2-CD2 3.69Å; Y851-F855 HydrophobicContact CE2-CE2 4.37Å; Y851-F855 AromaticContact CE2-CG 3.95Å; Y851-F855 HydrophobicContact CE2-CG 3.95Å; Y851-F855 HydrophobicContact CG-CD2 4.3Å; Y851-F855 WeakPolarHBondContact O-CB 3.46Å; Y851-F855 PolarHBondContact O-N 3.29Å; F855-P857 VanDerWaalsContact C-CD 3.43Å
856	H	81	Confident	72.3	Confident	55 Å²	55	95.3 Å²	95.3	26%	0.255	44%	0.444	S	S	.	.			trans	-129.4	56.4	-178.5	-72	-72.2	0	0	0	113.4	Y851 I852 E858 Q859	Y851-H856 AromaticContact CE1-CD2 3.48Å; Y851-H856 VanDerWaalsContact CE1-CD2 3.48Å; Y851-H856 WeakPolarHBondContact CE1-CD2 3.29Å; Y851-H856 AromaticContact CE1-NE2 3.79Å; Y851-H856 AromaticContact CZ-CD2 3.94Å; Y851-H856 AromaticContact CZ-NE2 3.94Å; Y851-H856 PolarHBondContact OH-NE2 3.04Å; I852-H856 HydrophobicContact CG2-CB 4.33Å; I852-H856 CarbonylContact O-C 3.5Å; I852-H856 WeakPolarHBondContact O-CA 3.39Å; I852-H856 PolarHBondContact O-N 3.48Å; I852-H856 VanDerWaalsContact O-N 3.09Å; I852-H856 VanDerWaalsContact O-O 3.11Å; H856-E858 WeakPolarHBondContact CA-OE2 3.48Å; H856-E858 WeakPolarHBondContact CB-OE1 3.17Å; H856-E858 IonicContact CE1-OE1 3.41Å; H856-E858 IonicContact CG-OE1 3.71Å; H856-E858 IonicContact ND1-OE1 2.72Å; H856-E858 PolarHBondContact ND1-OE1 3.49Å; H856-E858 PolarHBondContact O-N 3.5Å; H856-E858 VanDerWaalsContact O-N 3.14Å; H856-Q859 HydrophobicContact CB-CG 4.19Å; H856-Q859 PolarHBondContact O-N 3.1Å
857	P	75.9	Confident	69.9	Low	81 Å²	81	99 Å²	99	53%	0.526	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-60.2	-23.8	-178	27.7	-36	0	0	0	113.5	F855 Q859 N860	F855-P857 VanDerWaalsContact C-CD 3.43Å; P857-Q859 PolarHBondContact O-N 3.48Å; P857-N860 VanDerWaalsContact O-CB 3.26Å; P857-N860 WeakPolarHBondContact O-CB 3.26Å; P857-N860 PolarHBondContact O-N 2.94Å
858	E	70.6	Confident	68.1	Low	109 Å²	109	102.5 Å²	102.5	51%	0.509	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-61.8	-25.3	174.3	76.2	-68.2	165.1	0	0	113.2	H856 N860	H856-E858 WeakPolarHBondContact CA-OE2 3.48Å; H856-E858 WeakPolarHBondContact CB-OE1 3.17Å; H856-E858 IonicContact CE1-OE1 3.41Å; H856-E858 IonicContact CG-OE1 3.71Å; H856-E858 IonicContact ND1-OE1 2.72Å; H856-E858 PolarHBondContact ND1-OE1 3.49Å; H856-E858 PolarHBondContact O-N 3.5Å; H856-E858 VanDerWaalsContact O-N 3.14Å; E858-N860 VanDerWaalsContact C-N 3.34Å
859	Q	67.5	Low	66	Low	104 Å²	104	107.6 Å²	107.6	49%	0.486	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-85.5	-8.4	177.3	-57.2	-178.3	36.5	0	0	112.7	I852 H856 P857 V861	I852-Q859 HydrophobicContact CG2-CB 3.99Å; H856-Q859 HydrophobicContact CB-CG 4.19Å; H856-Q859 PolarHBondContact O-N 3.1Å; P857-Q859 PolarHBondContact O-N 3.48Å; Q859-V861 PolarHBondContact O-N 3.01Å; Q859-V861 VanDerWaalsContact O-N 3.16Å
860	N	67.1	Low	64	Low	23 Å²	23	109.1 Å²	109.1	12%	0.123	52%	0.517	C	S	.	.			trans	-85.8	26.6	-175	-156.7	0.9	0	0	0	113.5	T623 P624 I625 P857 E858	T623-N860 WeakPolarHBondContact CG2-ND2 3.42Å; P624-N860 WeakPolarHBondContact CD-O 3.48Å; P624-N860 WeakPolarHBondContact CG-O 3.42Å; I625-N860 HydrophobicContact CD1-CB 4.11Å; I625-N860 WeakPolarHBondContact CD1-OD1 3.42Å; I625-N860 WeakPolarHBondContact CG1-OD1 3.46Å; P857-N860 VanDerWaalsContact O-CB 3.26Å; P857-N860 WeakPolarHBondContact O-CB 3.26Å; P857-N860 PolarHBondContact O-N 2.94Å; E858-N860 VanDerWaalsContact C-N 3.34Å
861	V	69.3	Low	62.4	Low	91 Å²	91	114.8 Å²	114.8	55%	0.552	55%	0.546	S	S	*	.	S	Bend	trans	-94.5	145.4	-177.8	-67.1	0	0	0	0	112.7	Q859 K863	Q859-V861 PolarHBondContact O-N 3.01Å; Q859-V861 VanDerWaalsContact O-N 3.16Å; V861-K863 PolarHBondContact O-N 3.2Å
862	P	58.6	Low	60.7	Low	103 Å²	103	112.8 Å²	112.8	67%	0.669	55%	0.547	S	S	*	.			trans	-71.7	102.7	-179.5	29	-34.2	0	0	0	111.4	P624 R864	P624-P862 HydrophobicContact CG-CB 4.28Å; P862-R864 PolarHBondContact O-N 3.23Å; P862-R864 VanDerWaalsContact O-N 3.15Å
863	K	53.3	Low	58.9	Low	188 Å²	188	114.5 Å²	114.5	82%	0.817	56%	0.56	S	S	*	*			trans	-55.7	120.3	177.2	-66.9	-170.9	179.1	-176.5	0	110.8	V861 K865	V861-K863 PolarHBondContact O-N 3.2Å; K863-K865 PolarHBondContact O-N 3.23Å
864	R	36.6	Very low	57.1	Low	243 Å²	243	117.7 Å²	117.7	92%	0.917	59%	0.587	S	S	*	*			trans	-54.9	128.5	-170	-157.9	177.9	-165.8	179.4	4.8	111.3	P862 R866	P862-R864 PolarHBondContact O-N 3.23Å; P862-R864 VanDerWaalsContact O-N 3.15Å; R864-R866 PolarHBondContact O-N 2.85Å
865	K	43.8	Very low	55.3	Low	209 Å²	209	118.4 Å²	118.4	91%	0.909	60%	0.602	S	S	*	*			trans	-59.4	93.7	177.4	-70.4	-179.4	179.4	176.1	0	111.2	K863 S867	K863-K865 PolarHBondContact O-N 3.23Å; K865-S867 PolarHBondContact O-N 2.84Å
866	R	38.6	Very low	53.4	Low	244 Å²	244	116.8 Å²	116.8	92%	0.921	60%	0.604	S	S	*	*			trans	-67	126.3	161.2	-87.4	-174.5	168.3	174	-3	108	R864	R864-R866 PolarHBondContact O-N 2.85Å
867	S	39.5	Very low	51.7	Low	78 Å²	78	121.6 Å²	121.6	55%	0.545	63%	0.628	S	S	.	*			trans	-66.1	137.5	-172.7	-177	0	0	0	0	111.8	K865 K869 A870	K865-S867 PolarHBondContact O-N 2.84Å; S867-K869 PolarHBondContact O-N 3.22Å; S867-K869 PolarHBondContact OG-N 2.7Å; S867-A870 PolarHBondContact O-N 2.7Å; S867-A870 VanDerWaalsContact O-N 3.1Å
868	F	48.8	Very low	50.2	Low	139 Å²	139	123.3 Å²	123.3	61%	0.61	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.1	-28.6	175.2	-134.7	-101.9	0	0	0	112.4	V696 A870 I871	V696-F868 HydrophobicContact CG1-CD1 4.36Å; F868-A870 PolarHBondContact O-N 3.26Å; F868-I871 PolarHBondContact O-N 3.4Å
869	K	41.7	Very low	48.7	Very low	174 Å²	174	121.3 Å²	121.3	76%	0.757	65%	0.651	S	S	*	*	H	α-helix	trans	-58.8	-28.3	179.9	-148.4	175.9	-172.3	-177.3	0	113.9	S867 T873	S867-K869 PolarHBondContact O-N 3.22Å; S867-K869 PolarHBondContact OG-N 2.7Å; K869-T873 PolarHBondContact O-OG1 3.39Å
870	A	43	Very low	47.4	Very low	65 Å²	65	125.5 Å²	125.5	54%	0.537	67%	0.667	S	S	.	*	H	α-helix	trans	-81.1	-28.4	-176.1	0	0	0	0	0	114.2	S867 F868	S867-A870 PolarHBondContact O-N 2.7Å; S867-A870 VanDerWaalsContact O-N 3.1Å; F868-A870 PolarHBondContact O-N 3.26Å
871	I	52.7	Low	45.8	Very low	122 Å²	122	132.3 Å²	132.3	63%	0.626	70%	0.703	S	S	*	*	H	α-helix	trans	-74.5	-35.9	-176.5	-60.7	175.4	0	0	0	110.5	F868 T873 A874 A875	F868-I871 PolarHBondContact O-N 3.4Å; I871-T873 PolarHBondContact O-N 3.34Å; I871-A874 PolarHBondContact O-N 3.2Å; I871-A875 PolarHBondContact O-N 2.82Å
872	V	52.1	Low	44	Very low	81 Å²	81	134.8 Å²	134.8	49%	0.491	72%	0.719	S	S	.	*	H	α-helix	trans	-65.9	-37	177.8	-176.5	0	0	0	0	111.8	A874 A875 T876	V872-A874 PolarHBondContact O-N 3.19Å; V872-A875 PolarHBondContact O-N 3.19Å; V872-T876 PolarHBondContact O-N 3.5Å; V872-T876 PolarHBondContact O-OG1 3.49Å
873	T	45	Very low	42.7	Very low	85 Å²	85	138.6 Å²	138.6	52%	0.521	73%	0.727	S	S	.	*	H	α-helix	trans	-63.6	-42.1	177.6	-46.7	0	0	0	0	111.7	K869 I871 T876	K869-T873 PolarHBondContact O-OG1 3.39Å; I871-T873 PolarHBondContact O-N 3.34Å; T873-T876 PolarHBondContact O-N 2.74Å
874	A	46	Very low	41.6	Very low	74 Å²	74	139.3 Å²	139.3	61%	0.612	73%	0.731	S	S	*	*	H	α-helix	trans	-63.9	-41.8	176.3	0	0	0	0	0	112.4	I871 V872 T876	I871-A874 PolarHBondContact O-N 3.2Å; V872-A874 PolarHBondContact O-N 3.19Å; A874-T876 VanDerWaalsContact C-N 3.26Å; A874-T876 PolarHBondContact O-N 3.34Å
875	A	45.6	Very low	41.3	Very low	79 Å²	79	131.7 Å²	131.7	65%	0.653	73%	0.727	S	S	*	*	H	α-helix	trans	-66.9	-22.7	178.9	0	0	0	0	0	114	I871 V872	I871-A875 PolarHBondContact O-N 2.82Å; V872-A875 PolarHBondContact O-N 3.19Å
876	T	44.9	Very low	40.6	Very low	105 Å²	105	125.1 Å²	125.1	64%	0.644	72%	0.719	S	S	*	*	H	α-helix	trans	-87.9	-22.7	-175.2	-46.9	0	0	0	0	112.9	V872 T873 A874	V872-T876 PolarHBondContact O-N 3.5Å; V872-T876 PolarHBondContact O-OG1 3.49Å; T873-T876 PolarHBondContact O-N 2.74Å; A874-T876 VanDerWaalsContact C-N 3.26Å; A874-T876 PolarHBondContact O-N 3.34Å
877	M	46.1	Very low	40.2	Very low	157 Å²	157	121.8 Å²	121.8	77%	0.773	72%	0.72	S	S	*	*	H	α-helix	trans	-75.7	-22.2	-177.5	-73.9	-66.4	-164	0	0	114.3	G879	M877-G879 VanDerWaalsContact C-N 3.25Å; M877-G879 PolarHBondContact O-N 3.32Å
878	S	42.8	Very low	39.8	Very low	117 Å²	117	128.1 Å²	128.1	82%	0.818	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	6.3	-172.6	-165	0	0	0	0	115
879	G	40	Very low	39.6	Very low	67 Å²	67	126.6 Å²	126.6	69%	0.691	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-4.6	-169.5	0	0	0	0	0	116.8	M877	M877-G879 VanDerWaalsContact C-N 3.25Å; M877-G879 PolarHBondContact O-N 3.32Å
880	K	39.9	Very low	39	Very low	191 Å²	191	125.7 Å²	125.7	83%	0.83	74%	0.739	S	S	*	*			trans	-150	96.9	-178.3	-72.1	-171.6	177.7	-177.1	0	113.1
881	L	33.1	Very low	38.4	Very low	167 Å²	167	126.3 Å²	126.3	87%	0.874	75%	0.752	S	S	*	*				-174.2	124	118.8	-123.4	86.9	0	0	0	109.9
882	T	32	Very low	37.3	Very low	143 Å²	143	129.3 Å²	129.3	88%	0.877	76%	0.763	S	S	*	*			trans	-139.7	81.7	170.7	-43	0	0	0	0	109.7
883	Q	31.9	Very low	36.3	Very low	182 Å²	182	132 Å²	132	85%	0.85	78%	0.78	S	S	*	*			trans	-164.3	155.2	164	-121.8	178.2	10.1	0	0	113.6
884	K	29.3	Very low	35.5	Very low	204 Å²	204	136.3 Å²	136.3	89%	0.887	79%	0.791	S	S	*	*			trans	60	103.8	176.4	-90.3	-178.1	169.3	-178.7	0	116.8
885	G	30.6	Very low	34.7	Very low	82 Å²	82	139.2 Å²	139.2	85%	0.845	80%	0.802	S	S	*	*			trans	-79.5	161.3	147.8	0	0	0	0	0	110.9
886	G	29.3	Very low	34	Very low	72 Å²	72	143.4 Å²	143.4	74%	0.742	81%	0.807	S	S	*	*			trans	172.7	92.6	-178.8	0	0	0	0	0	111.4
887	D	29.6	Very low	33.3	Very low	173 Å²	173	146.2 Å²	146.2	93%	0.925	82%	0.818	S	S	*	*			trans	64	154.3	163.6	-60	-45.3	0	0	0	122.1
888	R	31.5	Very low	32.5	Very low	211 Å²	211	144.5 Å²	144.5	80%	0.796	82%	0.82	S	S	*	*			trans	-87.9	168.5	-178.9	-100.9	174.2	171	167.6	-4.9	109.9
889	P	45	Very low	31.8	Very low	107 Å²	107	147.5 Å²	147.5	70%	0.695	82%	0.821	S	S	*	*			cis	-146.9	162	38.5	40.1	-19.3	0	0	0	120.1
890	N	28.7	Very low	31.2	Very low	156 Å²	156	148.8 Å²	148.8	83%	0.834	82%	0.819	S	S	*	*			trans	59.1	113.1	145.4	-60.7	-0.8	0	0	0	120.9
891	G	30.9	Very low	30.6	Very low	78 Å²	78	147.2 Å²	147.2	80%	0.804	82%	0.817	S	S	*	*			trans	177.9	22.2	165.6	0	0	0	0	0	115.6
892	E	29.8	Very low	30.4	Very low	185 Å²	185	147 Å²	147	86%	0.864	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-83	126	-171.6	-72.3	-179.1	122.9	0	0	113.5
893	V	30.2	Very low	30.3	Very low	138 Å²	138	146.2 Å²	146.2	84%	0.836	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-95.9	125.9	162.5	175.1	0	0	0	0	107.7	T895	V893-T895 PolarHBondContact O-N 3.24Å
894	K	27.8	Very low	30.1	Very low	174 Å²	174	145.7 Å²	145.7	76%	0.757	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-64.6	132.1	-179.4	-76	-173.4	169	-166.9	0	112.3
895	T	30.5	Very low	30.1	Very low	136 Å²	136	142.2 Å²	142.2	83%	0.834	81%	0.806	S	S	*	*			trans	-106	128.6	150.7	50.5	0	0	0	0	108.4	V893	V893-T895 PolarHBondContact O-N 3.24Å
896	E	30.5	Very low	30	Very low	166 Å²	166	144.2 Å²	144.2	78%	0.776	81%	0.806	S	S	*	*			trans	-95	144.7	169.6	-74.1	-177.9	171.5	0	0	110.8
897	L	29.1	Very low	29.8	Very low	164 Å²	164	145.4 Å²	145.4	86%	0.859	80%	0.804	S	S	*	*			trans	-147	116	-177.4	-172.3	100	0	0	0	107.4
898	C	29	Very low	29.8	Very low	121 Å²	121	142.3 Å²	142.3	82%	0.818	79%	0.791	S	S	*	*			trans	-106.9	115.7	165.2	-63.5	0	0	0	0	106.6
899	E	28.2	Very low	29.5	Very low	181 Å²	181	141.2 Å²	141.2	85%	0.846	79%	0.792	S	S	*	*				98	155.9	56.2	-171.6	160.6	-129.7	0	0	110.3
900	S	27.6	Very low	28.7	Very low	94 Å²	94	141.8 Å²	141.8	66%	0.657	79%	0.794	S	S	*	*			trans	-129	-164.3	-148.2	57.2	0	0	0	0	113.8
901	M	28.7	Very low	28.7	Very low	157 Å²	157	140.3 Å²	140.3	77%	0.773	79%	0.791	S	S	*	*			trans	74.9	147.9	179.9	-66.4	139.7	62.1	0	0	114.2
902	E	28.4	Very low	28.5	Very low	163 Å²	163	146.6 Å²	146.6	76%	0.762	79%	0.791	S	S	*	*			cis	-146.6	166.1	0.8	-139.4	159.6	-132	0	0	112.6
903	T	29.1	Very low	28.4	Very low	126 Å²	126	144.1 Å²	144.1	77%	0.773	79%	0.789	S	S	*	*			trans	-128.6	125.3	173.2	52.4	0	0	0	0	111
904	N	28.8	Very low	28.2	Very low	171 Å²	171	142.2 Å²	142.2	91%	0.914	78%	0.781	S	S	*	*			trans	-156.3	157.9	153.2	-109.5	-38.4	0	0	0	112
905	T	29.1	Very low	28.3	Very low	132 Å²	132	144.8 Å²	144.8	81%	0.81	79%	0.788	S	S	*	*			trans	-124.3	141.2	-165.4	53.4	0	0	0	0	113.5
906	S	27.2	Very low	28.3	Very low	123 Å²	123	142.8 Å²	142.8	86%	0.86	78%	0.779	S	S	*	*			trans	-158.2	163.9	142.1	66	0	0	0	0	111.8
907	S	27.2	Very low	28.2	Very low	98 Å²	98	141.6 Å²	141.6	69%	0.685	78%	0.778	S	S	*	*			trans	-93.2	179	172.1	58.8	0	0	0	0	110.1
908	T	28	Very low	28.2	Very low	108 Å²	108	142 Å²	142	66%	0.663	78%	0.776	S	S	*	*			cis	-174.6	147.7	32.4	-22.4	0	0	0	0	110.1
909	K	26.2	Very low	28.3	Very low	187 Å²	187	140.5 Å²	140.5	81%	0.813	77%	0.772	S	S	*	*			trans	60.2	164.8	155	-76.8	171.8	177.2	179.6	0	117
910	T	28.8	Very low	28.5	Very low	119 Å²	119	143.7 Å²	143.7	73%	0.73	79%	0.792	S	S	*	*			cis	-145.3	161.8	-2.5	-13.7	0	0	0	0	111.2
911	T	27	Very low	28.6	Very low	125 Å²	125	146.2 Å²	146.2	77%	0.767	80%	0.799	S	S	*	*			trans	-82.3	144.3	172	-33	0	0	0	0	113.4
912	Y	26.8	Very low	28.6	Very low	210 Å²	210	145.6 Å²	145.6	82%	0.824	80%	0.8	S	S	*	*			trans	-144.4	158.7	150.4	-73	-81.1	0	0	0	105.8
913	V	27.3	Very low	28.6	Very low	133 Å²	133	144.6 Å²	144.6	81%	0.806	80%	0.802	S	S	*	*			cis	-136.2	150.3	18.4	-175.9	0	0	0	0	105.8
914	S	26.4	Very low	28.6	Very low	98 Å²	98	145.7 Å²	145.7	69%	0.685	80%	0.804	S	S	*	*				174.8	158.8	77.8	-167.7	0	0	0	0	112.6
915	Y	29.6	Very low	28.5	Very low	229 Å²	229	144.1 Å²	144.1	90%	0.898	80%	0.797	S	S	*	*			trans	-145.9	112.7	161.1	-113.4	-76.5	0	0	0	109.5
916	S	30.6	Very low	28.5	Very low	93 Å²	93	144.9 Å²	144.9	65%	0.65	80%	0.796	S	S	*	*			trans	167.6	102.8	148.7	36.4	0	0	0	0	111.9
917	N	29.2	Very low	28.6	Very low	141 Å²	141	146.5 Å²	146.5	75%	0.754	79%	0.791	S	S	*	*				169.3	144.6	105.4	-90.3	-23	0	0	0	114.3
918	H	29.5	Very low	28.7	Very low	174 Å²	174	150.2 Å²	150.2	81%	0.806	80%	0.8	S	S	*	*			trans	45.8	108	148.6	-73.5	-66.4	0	0	0	121.3
919	A	29.5	Very low	28.8	Very low	88 Å²	88	153.8 Å²	153.8	73%	0.727	81%	0.811	S	S	*	*				133.9	141.3	93	0	0	0	0	0	115.4
920	I	34.1	Very low	29	Very low	248 Å²	248	150.7 Å²	150.7	100%	1.272	81%	0.811	S	S	*	*			trans	67.6	0	175.7	-48.9	-178.6	0	0	0	113.7

Retrieved 920 of 920 residues in 355.5 ms (Link to these results)

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