A0A5K4FDK4_SCHMA Loading...

RING-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDK4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 836 aa.

						>A0A5K4FDK4_SCHMA|A0A5K4FDK4
MCPQLSTVLREHSELKRLRSHVSLITCFTLSICSAAYMYKLLDEAIADFEAELPESDDFREDMNEKRSPNTVSQLRAVLDQRGVLYSSVELNDIEFAVNSTGVITSSELSNAEAEQLEFANTNFSNSPDALLYRKLVNPFHQSVNLDYASSSFKPNSIVFDSESEFIEHVEDKKDSVWLLAVASPQSLSSSIAGDHTSTTPSRIKHSSVVTEQIWSVLCYRYQSFGFKMGLLNCGKLHSLCIDRGFINPDLILALPKGGERMKDIVQFRPLPKDPKSTSIIDHESSNYILEGIHTWIVSVLAERVKPLNNINSIYSVNSILSIDRLIRMDYLKHLFSFWLLKRPQPIHVLWFPGFSVKSKISRSHQQPPLVLSALSVTYTGRVRFWIVPNEAVKQNHTAIINNFNNWPITDSSINTVHDFCIMSKYEKHNDHFTNNSHSRRNRLDPVLVRERLNQIPPDQLWDELSRLIIQSDIELRSGSADSATSSTLESDNRYPHYQTFNNQSKCANERLSSNLITTQSDHKENTEVIEGYRLLRRLRRLYHILSQQTDHLTSASMNPIASFSSADVYHQGSRENNESLNHKTAAHMYTWNCLSSLGNNNAKPHSSVNSSHCHSQTRKSFSNTKQPISNVVDTNYEAEDEYEDTSSDDRIYPKISSLTRRRYRTHLCPNIRSNHLSNPITVSPSSSSTSDTDTIDHEAYLNNSFLHSRKISKRSNLLSSNSILSTSSSSSYMSSNDINFSNPLNDWPSWVVPCKECVVCWQKFRLGVRLSALPCGHGFHEYCIRKWLDTGAFECPVCRWPAYAPHLRQQCQMIEQLISAVQNTIDYAKNSNNKN
					

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(Predicted Aligned Error values between residue pairs)

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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	33.8	Very low	45.9	Very low	237 Å²	237	132.8 Å²	132.8	100%	1.167	70%	0.697	S	S	*	*				0	70.8	0	-63.5	-123.5	129.2	0	0	108.3
2	C	36.3	Very low	46.5	Very low	80 Å²	80	130.8 Å²	130.8	54%	0.541	68%	0.681	S	S	.	*				95.2	95	103.6	-79.6	0	0	0	0	112	Q4 L5	C2-Q4 PolarHBondContact O-N 3.25Å; C2-L5 PolarHBondContact O-N 3.17Å
3	P	47.1	Very low	47.1	Very low	119 Å²	119	127.9 Å²	127.9	77%	0.773	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-55.3	-13	170.1	-23.7	33.6	0	0	0	114.6	L5 S6	P3-L5 PolarHBondContact O-N 3.01Å; P3-L5 VanDerWaalsContact O-N 3.16Å; P3-S6 PolarHBondContact O-N 3.38Å; P3-S6 PolarHBondContact O-OG 3.42Å; P3-S6 VanDerWaalsContact O-OG 3.09Å
4	Q	47	Very low	47.3	Very low	162 Å²	162	126.3 Å²	126.3	76%	0.757	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-67.1	-7.7	178.1	-72.3	-174	-22.4	0	0	114.8	C2 T7	C2-Q4 PolarHBondContact O-N 3.25Å; Q4-T7 PolarHBondContact O-OG1 3.08Å
5	L	42	Very low	47.3	Very low	100 Å²	100	122.6 Å²	122.6	52%	0.524	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-79.8	-17.3	171.7	-109.2	95	0	0	0	113.9	C2 P3 T7 V8 L9	C2-L5 PolarHBondContact O-N 3.17Å; P3-L5 PolarHBondContact O-N 3.01Å; P3-L5 VanDerWaalsContact O-N 3.16Å; L5-T7 VanDerWaalsContact C-N 3.3Å; L5-T7 PolarHBondContact O-N 3.14Å; L5-V8 PolarHBondContact O-N 3.07Å; L5-L9 HydrophobicContact CB-CD1 4.16Å; L5-L9 HydrophobicContact CD2-CD1 4.35Å; L5-L9 WeakPolarHBondContact O-CB 3.45Å; L5-L9 VanDerWaalsContact O-CD1 3.27Å; L5-L9 WeakPolarHBondContact O-CD1 3.25Å; L5-L9 WeakPolarHBondContact O-CG 3.47Å; L5-L9 PolarHBondContact O-N 3.44Å
6	S	49	Very low	47.5	Very low	87 Å²	87	124.8 Å²	124.8	61%	0.608	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-30.5	-173.8	66.2	0	0	0	0	113.2	P3	P3-S6 PolarHBondContact O-N 3.38Å; P3-S6 PolarHBondContact O-OG 3.42Å; P3-S6 VanDerWaalsContact O-OG 3.09Å
7	T	52.1	Low	48	Very low	117 Å²	117	125.3 Å²	125.3	72%	0.718	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-26.4	179.5	44.9	0	0	0	0	113.2	Q4 L5	Q4-T7 PolarHBondContact O-OG1 3.08Å; L5-T7 VanDerWaalsContact C-N 3.3Å; L5-T7 PolarHBondContact O-N 3.14Å
8	V	51.5	Low	48.6	Very low	105 Å²	105	124.3 Å²	124.3	64%	0.636	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-17.7	177.3	-174.4	0	0	0	0	111.9	L5 R10	L5-V8 PolarHBondContact O-N 3.07Å; V8-R10 VanDerWaalsContact C-N 3.34Å; V8-R10 PolarHBondContact O-N 3.29Å
9	L	42.8	Very low	48.9	Very low	61 Å²	61	128.1 Å²	128.1	32%	0.319	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.5	1.1	-170.3	-84.7	166.1	0	0	0	115.9	L5 E11 L15	L5-L9 HydrophobicContact CB-CD1 4.16Å; L5-L9 HydrophobicContact CD2-CD1 4.35Å; L5-L9 WeakPolarHBondContact O-CB 3.45Å; L5-L9 VanDerWaalsContact O-CD1 3.27Å; L5-L9 WeakPolarHBondContact O-CD1 3.25Å; L5-L9 WeakPolarHBondContact O-CG 3.47Å; L5-L9 PolarHBondContact O-N 3.44Å; L9-E11 VanDerWaalsContact C-N 3.34Å; L9-L15 HydrophobicContact CD2-CB 3.7Å; L9-L15 HydrophobicContact CD2-CD2 3.88Å; L9-L15 HydrophobicContact CD2-CG 4.35Å
10	R	51.7	Low	49.5	Very low	231 Å²	231	124.8 Å²	124.8	87%	0.872	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-18.8	179.4	-147.6	172.1	84.8	174.7	4.5	113.6	V8	V8-R10 VanDerWaalsContact C-N 3.34Å; V8-R10 PolarHBondContact O-N 3.29Å
11	E	52.2	Low	50.4	Low	162 Å²	162	123.4 Å²	123.4	76%	0.757	62%	0.622	S	S	*	*	S	Bend	trans	-112.1	-1.9	-168.1	-70.5	-171.2	166.1	0	0	117	L9	L9-E11 VanDerWaalsContact C-N 3.34Å
12	H	52.8	Low	52.3	Low	109 Å²	109	115.9 Å²	115.9	51%	0.505	59%	0.589	S	S	.	*			trans	-131.7	101.9	-178.4	-67.9	-65.1	0	0	0	114.1	E14 L15	H12-E14 PolarHBondContact O-N 3.28Å; H12-L15 HydrophobicContact CB-CD1 3.81Å; H12-L15 PolarHBondContact O-N 3.45Å; H12-L15 VanDerWaalsContact O-N 3.11Å
13	S	54.3	Low	54.1	Low	93 Å²	93	115.3 Å²	115.3	65%	0.65	59%	0.586	S	S	*	*	H	α-helix	trans	-53.6	-32	170.8	52.8	0	0	0	0	113.3	L15 K16 R17	S13-L15 VanDerWaalsContact C-N 3.3Å; S13-L15 PolarHBondContact O-N 3.45Å; S13-K16 PolarHBondContact O-N 3.26Å; S13-R17 PolarHBondContact O-N 3.12Å
14	E	50.2	Low	55.2	Low	105 Å²	105	115.3 Å²	115.3	49%	0.491	58%	0.579	S	S	.	*	H	α-helix	trans	-60.9	-34.2	176.9	-67.3	-62.8	126.4	0	0	112.8	H12 R17 L18	H12-E14 PolarHBondContact O-N 3.28Å; E14-R17 VanDerWaalsContact CD-NH1 3.3Å; E14-R17 WeakPolarHBondContact O-CB 3.4Å; E14-R17 PolarHBondContact O-N 3.14Å; E14-R17 IonicContact OE1-NH1 3.22Å; E14-R17 PolarHBondContact OE1-NH1 2.7Å; E14-R17 IonicContact OE2-CZ 3.7Å; E14-R17 IonicContact OE2-NH1 3.4Å; E14-R17 PolarHBondContact OE2-NH1 3.17Å; E14-R17 IonicContact OE2-NH2 3.57Å; E14-R17 PolarHBondContact OE2-NH2 3.38Å; E14-L18 PolarHBondContact O-N 3.04Å; E14-L18 VanDerWaalsContact O-N 3.15Å
15	L	47.1	Very low	56.7	Low	71 Å²	71	112.8 Å²	112.8	37%	0.372	57%	0.569	S	S	.	*	H	α-helix	trans	-73.3	-29.4	177.8	-93.4	111.6	0	0	0	113.1	L9 H12 S13 R17 L18 R19	L9-L15 HydrophobicContact CD2-CB 3.7Å; L9-L15 HydrophobicContact CD2-CD2 3.88Å; L9-L15 HydrophobicContact CD2-CG 4.35Å; H12-L15 HydrophobicContact CB-CD1 3.81Å; H12-L15 PolarHBondContact O-N 3.45Å; H12-L15 VanDerWaalsContact O-N 3.11Å; S13-L15 VanDerWaalsContact C-N 3.3Å; S13-L15 PolarHBondContact O-N 3.45Å; L15-R17 VanDerWaalsContact C-N 3.3Å; L15-R17 PolarHBondContact O-N 3.1Å; L15-L18 PolarHBondContact O-N 2.86Å; L15-R19 PolarHBondContact O-N 3.34Å
16	K	50.2	Low	58.3	Low	158 Å²	158	111 Å²	111	69%	0.687	56%	0.563	S	S	*	*	H	α-helix	trans	-63.7	-38.9	171.1	-75.5	-176.6	179.2	177.4	0	110.8	S13 R19 S20	S13-K16 PolarHBondContact O-N 3.26Å; K16-R19 PolarHBondContact O-N 3.2Å; K16-S20 PolarHBondContact O-N 3.48Å; K16-S20 VanDerWaalsContact O-N 3.13Å
17	R	56.4	Low	59.5	Low	133 Å²	133	110.7 Å²	110.7	50%	0.502	56%	0.56	S	S	.	*	H	α-helix	trans	-63.1	-44.1	175.4	-155.2	175.2	74.2	-126.5	-9.2	110.6	S13 E14 L15 R19 S20 H21	S13-R17 PolarHBondContact O-N 3.12Å; E14-R17 VanDerWaalsContact CD-NH1 3.3Å; E14-R17 WeakPolarHBondContact O-CB 3.4Å; E14-R17 PolarHBondContact O-N 3.14Å; E14-R17 IonicContact OE1-NH1 3.22Å; E14-R17 PolarHBondContact OE1-NH1 2.7Å; E14-R17 IonicContact OE2-CZ 3.7Å; E14-R17 IonicContact OE2-NH1 3.4Å; E14-R17 PolarHBondContact OE2-NH1 3.17Å; E14-R17 IonicContact OE2-NH2 3.57Å; E14-R17 PolarHBondContact OE2-NH2 3.38Å; L15-R17 VanDerWaalsContact C-N 3.3Å; L15-R17 PolarHBondContact O-N 3.1Å; R17-R19 VanDerWaalsContact C-N 3.35Å; R17-R19 PolarHBondContact O-N 3.5Å; R17-S20 PolarHBondContact O-N 3.21Å; R17-S20 VanDerWaalsContact O-N 3.15Å; R17-S20 PolarHBondContact O-OG 3.08Å; R17-H21 PolarHBondContact O-CD2 3.4Å; R17-H21 PolarHBondContact O-N 2.71Å
18	L	58.2	Low	60.6	Low	107 Å²	107	111.8 Å²	111.8	56%	0.56	55%	0.554	S	S	*	*	H	α-helix	trans	-58.1	-43.6	175.2	-165.9	75.7	0	0	0	112.2	E14 L15 S20 H21 V22	E14-L18 PolarHBondContact O-N 3.04Å; E14-L18 VanDerWaalsContact O-N 3.15Å; L15-L18 PolarHBondContact O-N 2.86Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-S20 PolarHBondContact O-N 3Å; L18-H21 PolarHBondContact O-N 2.97Å; L18-V22 HydrophobicContact CG-CG2 4.44Å; L18-V22 VanDerWaalsContact O-CG2 3.3Å; L18-V22 WeakPolarHBondContact O-CG2 3.41Å; L18-V22 PolarHBondContact O-N 3.01Å
19	R	55.5	Low	61.9	Low	197 Å²	197	110 Å²	110	74%	0.743	54%	0.544	S	S	*	.	H	α-helix	trans	-60.8	-40.7	176	-173.6	176.7	175.4	157	-1.3	112.4	L15 K16 R17 S23	L15-R19 PolarHBondContact O-N 3.34Å; K16-R19 PolarHBondContact O-N 3.2Å; R17-R19 VanDerWaalsContact C-N 3.35Å; R17-R19 PolarHBondContact O-N 3.5Å; R19-S23 WeakPolarHBondContact O-CB 3.46Å; R19-S23 PolarHBondContact O-N 2.83Å
20	S	60.1	Low	63.8	Low	61 Å²	61	112.5 Å²	112.5	43%	0.427	56%	0.557	S	S	.	*	H	α-helix	trans	-63.9	-42.3	176.6	74.8	0	0	0	0	111.9	K16 R17 L18 S23 L24	K16-S20 PolarHBondContact O-N 3.48Å; K16-S20 VanDerWaalsContact O-N 3.13Å; R17-S20 PolarHBondContact O-N 3.21Å; R17-S20 VanDerWaalsContact O-N 3.15Å; R17-S20 PolarHBondContact O-OG 3.08Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-S20 PolarHBondContact O-N 3Å; S20-S23 PolarHBondContact O-N 2.95Å; S20-L24 WeakPolarHBondContact O-CB 3.21Å; S20-L24 PolarHBondContact O-N 2.97Å
21	H	68.7	Low	65.1	Low	96 Å²	96	105.1 Å²	105.1	44%	0.444	54%	0.541	S	S	.	.	H	α-helix	trans	-66.8	-44.4	177.2	-72.9	-66	0	0	0	112.1	R17 L18 S23 L24 I25	R17-H21 PolarHBondContact O-CD2 3.4Å; R17-H21 PolarHBondContact O-N 2.71Å; L18-H21 PolarHBondContact O-N 2.97Å; H21-S23 VanDerWaalsContact C-N 3.3Å; H21-S23 PolarHBondContact O-N 3.38Å; H21-L24 PolarHBondContact O-N 3.28Å; H21-L24 VanDerWaalsContact O-N 3.13Å; H21-I25 WeakPolarHBondContact O-CB 3.38Å; H21-I25 VanDerWaalsContact O-CG1 3.25Å; H21-I25 WeakPolarHBondContact O-CG1 3.37Å; H21-I25 PolarHBondContact O-N 2.64Å
22	V	73.7	Confident	66.3	Low	79 Å²	79	101.9 Å²	101.9	48%	0.479	53%	0.528	S	S	.	.	H	α-helix	trans	-60.6	-42.3	175.8	173.3	0	0	0	0	110.3	L18 L24 I25 T26	L18-V22 HydrophobicContact CG-CG2 4.44Å; L18-V22 VanDerWaalsContact O-CG2 3.3Å; L18-V22 WeakPolarHBondContact O-CG2 3.41Å; L18-V22 PolarHBondContact O-N 3.01Å; V22-L24 VanDerWaalsContact C-N 3.3Å; V22-L24 PolarHBondContact O-N 2.9Å; V22-I25 PolarHBondContact O-N 3.25Å; V22-T26 HydrophobicContact CG1-CG2 4.39Å; V22-T26 VanDerWaalsContact O-CG2 3.28Å; V22-T26 WeakPolarHBondContact O-CG2 3.15Å; V22-T26 PolarHBondContact O-N 3.18Å; V22-T26 PolarHBondContact O-OG1 3.47Å; V22-T26 VanDerWaalsContact O-OG1 3.1Å
23	S	74.7	Confident	67.4	Low	68 Å²	68	100.6 Å²	100.6	48%	0.476	53%	0.53	S	S	.	.	H	α-helix	trans	-64	-33.6	175.7	-169	0	0	0	0	113.4	R19 S20 H21 T26 C27	R19-S23 WeakPolarHBondContact O-CB 3.46Å; R19-S23 PolarHBondContact O-N 2.83Å; S20-S23 PolarHBondContact O-N 2.95Å; H21-S23 VanDerWaalsContact C-N 3.3Å; H21-S23 PolarHBondContact O-N 3.38Å; S23-T26 WeakPolarHBondContact CA-OG1 3.44Å; S23-T26 PolarHBondContact O-OG1 2.99Å; S23-C27 WeakPolarHBondContact O-CB 3.47Å; S23-C27 PolarHBondContact O-N 3.42Å
24	L	69.5	Low	68.5	Low	120 Å²	120	99.5 Å²	99.5	63%	0.628	52%	0.522	S	S	*	.	H	α-helix	trans	-74.8	-42.1	178.9	-132.9	147.5	0	0	0	110.8	S20 H21 V22 C27 F28	S20-L24 WeakPolarHBondContact O-CB 3.21Å; S20-L24 PolarHBondContact O-N 2.97Å; H21-L24 PolarHBondContact O-N 3.28Å; H21-L24 VanDerWaalsContact O-N 3.13Å; V22-L24 VanDerWaalsContact C-N 3.3Å; V22-L24 PolarHBondContact O-N 2.9Å; L24-C27 PolarHBondContact O-N 3.26Å; L24-F28 WeakPolarHBondContact O-CB 3.27Å; L24-F28 PolarHBondContact O-N 2.98Å
25	I	77.5	Confident	69.5	Low	109 Å²	109	96.5 Å²	96.5	56%	0.559	52%	0.516	S	S	*	.	H	α-helix	trans	-63.1	-44	174.5	-67	164.5	0	0	0	110	H21 V22 F28 T29	H21-I25 WeakPolarHBondContact O-CB 3.38Å; H21-I25 VanDerWaalsContact O-CG1 3.25Å; H21-I25 WeakPolarHBondContact O-CG1 3.37Å; H21-I25 PolarHBondContact O-N 2.64Å; V22-I25 PolarHBondContact O-N 3.25Å; I25-F28 PolarHBondContact O-N 2.92Å; I25-T29 HydrophobicContact CG2-CG2 4.44Å; I25-T29 WeakPolarHBondContact O-CG2 3.48Å; I25-T29 PolarHBondContact O-N 3.4Å; I25-T29 PolarHBondContact O-OG1 3.35Å; I25-T29 VanDerWaalsContact O-OG1 3.07Å
26	T	76.6	Confident	70.8	Confident	63 Å²	63	95.9 Å²	95.9	39%	0.387	52%	0.521	S	S	.	.	H	α-helix	trans	-66.2	-38.2	177.3	55.7	0	0	0	0	112.5	V22 S23 F28 T29 L30	V22-T26 HydrophobicContact CG1-CG2 4.39Å; V22-T26 VanDerWaalsContact O-CG2 3.28Å; V22-T26 WeakPolarHBondContact O-CG2 3.15Å; V22-T26 PolarHBondContact O-N 3.18Å; V22-T26 PolarHBondContact O-OG1 3.47Å; V22-T26 VanDerWaalsContact O-OG1 3.1Å; S23-T26 WeakPolarHBondContact CA-OG1 3.44Å; S23-T26 PolarHBondContact O-OG1 2.99Å; T26-F28 VanDerWaalsContact C-N 3.34Å; T26-T29 WeakPolarHBondContact CA-OG1 3.44Å; T26-T29 PolarHBondContact O-OG1 3.42Å; T26-T29 VanDerWaalsContact O-OG1 3.05Å; T26-L30 VanDerWaalsContact O-CB 3.28Å; T26-L30 WeakPolarHBondContact O-CB 3.35Å; T26-L30 WeakPolarHBondContact O-CD1 3.5Å; T26-L30 WeakPolarHBondContact O-CG 3.24Å; T26-L30 PolarHBondContact O-N 2.87Å
27	C	74.1	Confident	72.2	Confident	80 Å²	80	95 Å²	95	54%	0.541	51%	0.514	S	S	.	.	H	α-helix	trans	-62.9	-41.5	171.6	-90.4	0	0	0	0	112	S23 L24 L30 S31	S23-C27 WeakPolarHBondContact O-CB 3.47Å; S23-C27 PolarHBondContact O-N 3.42Å; L24-C27 PolarHBondContact O-N 3.26Å; C27-L30 PolarHBondContact O-N 3Å; C27-S31 WeakPolarHBondContact O-CB 3.47Å; C27-S31 PolarHBondContact O-N 2.99Å
28	F	74.8	Confident	73.1	Confident	139 Å²	139	94.7 Å²	94.7	61%	0.61	52%	0.52	S	S	*	.	H	α-helix	trans	-67.8	-43.4	-179.8	-161.4	-102.8	0	0	0	111.7	L24 I25 T26 S31 I32	L24-F28 WeakPolarHBondContact O-CB 3.27Å; L24-F28 PolarHBondContact O-N 2.98Å; I25-F28 PolarHBondContact O-N 2.92Å; T26-F28 VanDerWaalsContact C-N 3.34Å; F28-S31 PolarHBondContact O-N 3.39Å; F28-I32 HydrophobicContact CD1-CD1 3.57Å; F28-I32 HydrophobicContact CD1-CG1 4.39Å; F28-I32 HydrophobicContact CE1-CD1 3.38Å; F28-I32 HydrophobicContact CE1-CG1 4.29Å; F28-I32 HydrophobicContact CZ-CD1 4.22Å; F28-I32 WeakPolarHBondContact O-CG1 3.46Å; F28-I32 PolarHBondContact O-N 3.34Å
29	T	80	Confident	73.7	Confident	69 Å²	69	96.4 Å²	96.4	42%	0.423	52%	0.52	S	S	.	.	H	α-helix	trans	-65.9	-41.9	175	52.5	0	0	0	0	111.8	I25 T26 S31 I32 C33	I25-T29 HydrophobicContact CG2-CG2 4.44Å; I25-T29 WeakPolarHBondContact O-CG2 3.48Å; I25-T29 PolarHBondContact O-N 3.4Å; I25-T29 PolarHBondContact O-OG1 3.35Å; I25-T29 VanDerWaalsContact O-OG1 3.07Å; T26-T29 WeakPolarHBondContact CA-OG1 3.44Å; T26-T29 PolarHBondContact O-OG1 3.42Å; T26-T29 VanDerWaalsContact O-OG1 3.05Å; T29-S31 VanDerWaalsContact C-N 3.31Å; T29-S31 PolarHBondContact O-N 3.09Å; T29-I32 PolarHBondContact O-N 3.38Å; T29-C33 WeakPolarHBondContact O-CB 3.35Å; T29-C33 PolarHBondContact O-N 3.44Å; T29-C33 PolarHBondContact O-SG 2.93Å
30	L	81.1	Confident	74.8	Confident	113 Å²	113	92.5 Å²	92.5	59%	0.592	51%	0.508	S	S	*	.	H	α-helix	trans	-59.7	-42.3	172.7	-76.2	169	0	0	0	111.4	T26 C27 C33 S34	T26-L30 VanDerWaalsContact O-CB 3.28Å; T26-L30 WeakPolarHBondContact O-CB 3.35Å; T26-L30 WeakPolarHBondContact O-CD1 3.5Å; T26-L30 WeakPolarHBondContact O-CG 3.24Å; T26-L30 PolarHBondContact O-N 2.87Å; C27-L30 PolarHBondContact O-N 3Å; L30-C33 PolarHBondContact O-N 3.2Å; L30-S34 WeakPolarHBondContact O-CB 3.48Å; L30-S34 PolarHBondContact O-N 3Å; L30-S34 PolarHBondContact O-OG 3.19Å
31	S	79.1	Confident	75.3	Confident	75 Å²	75	92.7 Å²	92.7	52%	0.524	50%	0.504	S	S	.	.	H	α-helix	trans	-64.6	-41.4	177.5	-178	0	0	0	0	112.5	C27 F28 T29 S34 A35	C27-S31 WeakPolarHBondContact O-CB 3.47Å; C27-S31 PolarHBondContact O-N 2.99Å; F28-S31 PolarHBondContact O-N 3.39Å; T29-S31 VanDerWaalsContact C-N 3.31Å; T29-S31 PolarHBondContact O-N 3.09Å; S31-S34 PolarHBondContact O-N 3Å; S31-A35 WeakPolarHBondContact O-CB 3.25Å; S31-A35 PolarHBondContact O-N 3.47Å
32	I	77.1	Confident	75.2	Confident	94 Å²	94	92.7 Å²	92.7	48%	0.482	51%	0.507	S	S	.	.	H	α-helix	trans	-65.6	-45.5	175.2	-71	170.8	0	0	0	110.9	F28 T29 S34 A35 A36	F28-I32 HydrophobicContact CD1-CD1 3.57Å; F28-I32 HydrophobicContact CD1-CG1 4.39Å; F28-I32 HydrophobicContact CE1-CD1 3.38Å; F28-I32 HydrophobicContact CE1-CG1 4.29Å; F28-I32 HydrophobicContact CZ-CD1 4.22Å; F28-I32 WeakPolarHBondContact O-CG1 3.46Å; F28-I32 PolarHBondContact O-N 3.34Å; T29-I32 PolarHBondContact O-N 3.38Å; I32-S34 VanDerWaalsContact C-N 3.3Å; I32-S34 PolarHBondContact O-N 3.19Å; I32-A35 PolarHBondContact O-N 3.32Å; I32-A36 WeakPolarHBondContact O-CB 3.23Å; I32-A36 PolarHBondContact O-N 2.88Å
33	C	76.9	Confident	75.1	Confident	83 Å²	83	93.9 Å²	93.9	56%	0.561	51%	0.51	S	S	*	.	H	α-helix	trans	-62.1	-39.6	176.5	-69.6	0	0	0	0	111.6	T29 L30 A36 Y37	T29-C33 WeakPolarHBondContact O-CB 3.35Å; T29-C33 PolarHBondContact O-N 3.44Å; T29-C33 PolarHBondContact O-SG 2.93Å; L30-C33 PolarHBondContact O-N 3.2Å; C33-A36 PolarHBondContact O-N 2.79Å; C33-Y37 VanDerWaalsContact O-CB 3.31Å; C33-Y37 WeakPolarHBondContact O-CB 3.38Å; C33-Y37 PolarHBondContact O-N 2.72Å
34	S	76.6	Confident	75.2	Confident	69 Å²	69	94.5 Å²	94.5	48%	0.483	51%	0.506	S	S	.	.	H	α-helix	trans	-63.4	-45.8	175.5	-52.1	0	0	0	0	111	L30 S31 I32 Y37 M38	L30-S34 WeakPolarHBondContact O-CB 3.48Å; L30-S34 PolarHBondContact O-N 3Å; L30-S34 PolarHBondContact O-OG 3.19Å; S31-S34 PolarHBondContact O-N 3Å; I32-S34 VanDerWaalsContact C-N 3.3Å; I32-S34 PolarHBondContact O-N 3.19Å; S34-Y37 PolarHBondContact O-N 3.25Å; S34-M38 WeakPolarHBondContact O-CB 3.47Å; S34-M38 VanDerWaalsContact O-CG 3.25Å; S34-M38 WeakPolarHBondContact O-CG 3.44Å; S34-M38 PolarHBondContact O-N 3.22Å
35	A	71	Confident	75	Confident	43 Å²	43	91.2 Å²	91.2	36%	0.355	50%	0.496	S	S	.	.	H	α-helix	trans	-63.1	-46	177.4	0	0	0	0	0	111.3	S31 I32 Y37 M38 Y39	S31-A35 WeakPolarHBondContact O-CB 3.25Å; S31-A35 PolarHBondContact O-N 3.47Å; I32-A35 PolarHBondContact O-N 3.32Å; A35-Y37 VanDerWaalsContact C-N 3.32Å; A35-Y37 PolarHBondContact O-N 2.87Å; A35-M38 PolarHBondContact O-N 3.18Å; A35-Y39 WeakPolarHBondContact O-CD2 3.42Å; A35-Y39 PolarHBondContact O-N 3.03Å
36	A	74.8	Confident	74.4	Confident	57 Å²	57	89.5 Å²	89.5	47%	0.471	49%	0.487	S	S	.	.	H	α-helix	trans	-61.4	-39.5	176.5	0	0	0	0	0	112.2	I32 C33 Y39 K40	I32-A36 WeakPolarHBondContact O-CB 3.23Å; I32-A36 PolarHBondContact O-N 2.88Å; C33-A36 PolarHBondContact O-N 2.79Å; A36-Y39 PolarHBondContact O-N 2.95Å; A36-K40 PolarHBondContact O-N 3.01Å
37	Y	79.2	Confident	74	Confident	140 Å²	140	88.9 Å²	88.9	55%	0.549	49%	0.489	S	S	.	.	H	α-helix	trans	-66.4	-40.5	174.2	-174.2	-105.1	0	0	0	112.3	C33 S34 A35 K40 L41	C33-Y37 VanDerWaalsContact O-CB 3.31Å; C33-Y37 WeakPolarHBondContact O-CB 3.38Å; C33-Y37 PolarHBondContact O-N 2.72Å; S34-Y37 PolarHBondContact O-N 3.25Å; A35-Y37 VanDerWaalsContact C-N 3.32Å; A35-Y37 PolarHBondContact O-N 2.87Å; Y37-K40 PolarHBondContact O-N 3.3Å; Y37-L41 HydrophobicContact CD1-CD1 3.78Å; Y37-L41 HydrophobicContact CD1-CG 4.26Å; Y37-L41 HydrophobicContact CE1-CD1 3.39Å; Y37-L41 HydrophobicContact CE1-CD2 4.46Å; Y37-L41 HydrophobicContact CE1-CG 3.91Å; Y37-L41 WeakPolarHBondContact O-CG 3.34Å; Y37-L41 PolarHBondContact O-N 2.74Å
38	M	75.4	Confident	73.7	Confident	127 Å²	127	90.3 Å²	90.3	63%	0.626	49%	0.491	S	S	*	.	H	α-helix	trans	-63.7	-39.3	174	-71.9	-68.5	-66.4	0	0	112.2	S34 A35 L41 L42	S34-M38 WeakPolarHBondContact O-CB 3.47Å; S34-M38 VanDerWaalsContact O-CG 3.25Å; S34-M38 WeakPolarHBondContact O-CG 3.44Å; S34-M38 PolarHBondContact O-N 3.22Å; A35-M38 PolarHBondContact O-N 3.18Å; M38-L41 PolarHBondContact O-N 3.14Å; M38-L41 HydrophobicContact SD-CD1 4.48Å; M38-L42 WeakPolarHBondContact O-CB 3.45Å; M38-L42 PolarHBondContact O-N 2.92Å
39	Y	71.1	Confident	73.1	Confident	143 Å²	143	90.6 Å²	90.6	56%	0.561	49%	0.492	S	S	*	.	H	α-helix	trans	-65.6	-40.9	172.9	-80	-68.7	0	0	0	111.6	A35 A36 L42 D43	A35-Y39 WeakPolarHBondContact O-CD2 3.42Å; A35-Y39 PolarHBondContact O-N 3.03Å; A36-Y39 PolarHBondContact O-N 2.95Å; Y39-L42 WeakPolarHBondContact O-CB 3.45Å; Y39-L42 PolarHBondContact O-N 3.33Å; Y39-D43 PolarHBondContact O-N 3.2Å
40	K	78.5	Confident	72	Confident	115 Å²	115	93.4 Å²	93.4	50%	0.5	50%	0.501	S	S	.	.	H	α-helix	trans	-62.1	-43.4	174.6	-168.3	-174.9	-178.1	-118.1	0	112	A36 Y37 L42 D43 E44	A36-K40 PolarHBondContact O-N 3.01Å; Y37-K40 PolarHBondContact O-N 3.3Å; K40-L42 VanDerWaalsContact C-N 3.29Å; K40-L42 PolarHBondContact O-N 3.38Å; K40-D43 PolarHBondContact O-N 2.99Å; K40-E44 WeakPolarHBondContact CE-OE1 3.49Å; K40-E44 IonicContact NZ-OE1 2.75Å; K40-E44 PolarHBondContact NZ-OE1 3.5Å; K40-E44 WeakPolarHBondContact O-CB 3.3Å; K40-E44 WeakPolarHBondContact O-CG 3.42Å; K40-E44 PolarHBondContact O-N 3.31Å
41	L	70.7	Confident	71	Confident	64 Å²	64	92.1 Å²	92.1	34%	0.335	51%	0.506	S	S	.	.	H	α-helix	trans	-63.8	-35.3	174.2	-78.5	174.8	0	0	0	112.2	Y37 M38 A45	Y37-L41 HydrophobicContact CD1-CD1 3.78Å; Y37-L41 HydrophobicContact CD1-CG 4.26Å; Y37-L41 HydrophobicContact CE1-CD1 3.39Å; Y37-L41 HydrophobicContact CE1-CD2 4.46Å; Y37-L41 HydrophobicContact CE1-CG 3.91Å; Y37-L41 WeakPolarHBondContact O-CG 3.34Å; Y37-L41 PolarHBondContact O-N 2.74Å; M38-L41 PolarHBondContact O-N 3.14Å; M38-L41 HydrophobicContact SD-CD1 4.48Å; L41-A45 WeakPolarHBondContact O-CB 3.3Å; L41-A45 PolarHBondContact O-N 2.93Å
42	L	68	Low	69.8	Low	96 Å²	96	95.9 Å²	95.9	50%	0.503	52%	0.515	S	S	.	.	H	α-helix	trans	-69.9	-43.6	176	-166.6	75.4	0	0	0	111	M38 Y39 K40 A45 I46	M38-L42 WeakPolarHBondContact O-CB 3.45Å; M38-L42 PolarHBondContact O-N 2.92Å; Y39-L42 WeakPolarHBondContact O-CB 3.45Å; Y39-L42 PolarHBondContact O-N 3.33Å; K40-L42 VanDerWaalsContact C-N 3.29Å; K40-L42 PolarHBondContact O-N 3.38Å; L42-A45 PolarHBondContact O-N 2.87Å; L42-I46 HydrophobicContact CD2-CD1 4.45Å; L42-I46 HydrophobicContact CG-CD1 4.04Å; L42-I46 WeakPolarHBondContact O-CB 3.48Å; L42-I46 WeakPolarHBondContact O-CD1 3.47Å; L42-I46 WeakPolarHBondContact O-CG1 3.28Å; L42-I46 PolarHBondContact O-N 3.45Å
43	D	71.3	Confident	67.8	Low	104 Å²	104	96.4 Å²	96.4	56%	0.556	52%	0.519	S	S	*	.	H	α-helix	trans	-64.8	-40	174.7	-77.2	-10.4	0	0	0	111.2	Y39 K40 I46 A47	Y39-D43 PolarHBondContact O-N 3.2Å; K40-D43 PolarHBondContact O-N 2.99Å; D43-I46 PolarHBondContact O-N 3.02Å; D43-A47 WeakPolarHBondContact O-CB 3.44Å; D43-A47 PolarHBondContact O-N 2.89Å
44	E	75.4	Confident	65.9	Low	81 Å²	81	96.3 Å²	96.3	38%	0.379	52%	0.517	S	S	.	.	H	α-helix	trans	-63.7	-43.3	172.3	-76.8	172.9	-174.7	0	0	110.9	K40 I46 A47 D48	K40-E44 WeakPolarHBondContact CE-OE1 3.49Å; K40-E44 IonicContact NZ-OE1 2.75Å; K40-E44 PolarHBondContact NZ-OE1 3.5Å; K40-E44 WeakPolarHBondContact O-CB 3.3Å; K40-E44 WeakPolarHBondContact O-CG 3.42Å; K40-E44 PolarHBondContact O-N 3.31Å; E44-I46 PolarHBondContact O-N 2.97Å; E44-A47 PolarHBondContact O-N 3.11Å; E44-D48 WeakPolarHBondContact O-CB 3.42Å; E44-D48 VanDerWaalsContact O-CG 3.3Å; E44-D48 PolarHBondContact O-N 3.11Å
45	A	66.1	Low	64.2	Low	51 Å²	51	102 Å²	102	42%	0.421	54%	0.536	S	S	.	.	H	α-helix	trans	-66.6	-36	175.8	0	0	0	0	0	112.7	L41 L42 F49	L41-A45 WeakPolarHBondContact O-CB 3.3Å; L41-A45 PolarHBondContact O-N 2.93Å; L42-A45 PolarHBondContact O-N 2.87Å; A45-F49 WeakPolarHBondContact O-CB 3.33Å; A45-F49 PolarHBondContact O-N 3.04Å
46	I	64	Low	62.7	Low	74 Å²	74	105.1 Å²	105.1	38%	0.379	56%	0.555	S	S	.	*	H	α-helix	trans	-68.6	-42.8	173.8	-70.8	163.5	0	0	0	109.7	L42 D43 E44 F49 E50	L42-I46 HydrophobicContact CD2-CD1 4.45Å; L42-I46 HydrophobicContact CG-CD1 4.04Å; L42-I46 WeakPolarHBondContact O-CB 3.48Å; L42-I46 WeakPolarHBondContact O-CD1 3.47Å; L42-I46 WeakPolarHBondContact O-CG1 3.28Å; L42-I46 PolarHBondContact O-N 3.45Å; D43-I46 PolarHBondContact O-N 3.02Å; E44-I46 PolarHBondContact O-N 2.97Å; I46-F49 CarbonylContact O-C 3.47Å; I46-F49 WeakPolarHBondContact O-CB 3.38Å; I46-F49 PolarHBondContact O-N 3.46Å; I46-E50 HydrophobicContact CG2-CG 4.29Å; I46-E50 WeakPolarHBondContact O-CB 3.39Å; I46-E50 WeakPolarHBondContact O-CG 3.41Å; I46-E50 PolarHBondContact O-N 3.4Å
47	A	68.9	Low	60.9	Low	50 Å²	50	110.2 Å²	110.2	41%	0.413	57%	0.574	S	S	.	*	H	α-helix	trans	-66.3	-38.4	177.3	0	0	0	0	0	112	D43 E44 F49 E50 A51	D43-A47 WeakPolarHBondContact O-CB 3.44Å; D43-A47 PolarHBondContact O-N 2.89Å; E44-A47 PolarHBondContact O-N 3.11Å; A47-F49 VanDerWaalsContact C-N 3.33Å; A47-E50 PolarHBondContact O-N 3.47Å; A47-A51 WeakPolarHBondContact O-CB 3.43Å; A47-A51 PolarHBondContact O-N 3.24Å
48	D	68.1	Low	58.8	Low	109 Å²	109	111 Å²	111	58%	0.583	59%	0.588	S	S	*	*	H	α-helix	trans	-63.9	-41.6	171.2	-75.3	-15	0	0	0	110.1	E44 A51 E52	E44-D48 WeakPolarHBondContact O-CB 3.42Å; E44-D48 VanDerWaalsContact O-CG 3.3Å; E44-D48 PolarHBondContact O-N 3.11Å; D48-A51 PolarHBondContact O-N 3Å; D48-E52 WeakPolarHBondContact O-CB 3.46Å; D48-E52 WeakPolarHBondContact O-CG 3.18Å; D48-E52 PolarHBondContact O-N 2.69Å
49	F	61.1	Low	56.6	Low	146 Å²	146	113.6 Å²	113.6	64%	0.64	60%	0.596	S	S	*	*	H	α-helix	trans	-64.3	-41.4	174.6	-139	-88.5	0	0	0	112.1	A45 I46 A47 E52 L53	A45-F49 WeakPolarHBondContact O-CB 3.33Å; A45-F49 PolarHBondContact O-N 3.04Å; I46-F49 CarbonylContact O-C 3.47Å; I46-F49 WeakPolarHBondContact O-CB 3.38Å; I46-F49 PolarHBondContact O-N 3.46Å; A47-F49 VanDerWaalsContact C-N 3.33Å; F49-E52 CarbonylContact O-C 3.52Å; F49-E52 PolarHBondContact O-N 3.14Å; F49-L53 WeakPolarHBondContact O-CG 3.46Å; F49-L53 PolarHBondContact O-N 3.38Å
50	E	58.2	Low	55	Low	128 Å²	128	118.5 Å²	118.5	60%	0.598	61%	0.614	S	S	*	*	H	α-helix	trans	-72.1	-32.1	177.8	-76.7	-178.3	173.8	0	0	112.3	I46 A47 E52 L53	I46-E50 HydrophobicContact CG2-CG 4.29Å; I46-E50 WeakPolarHBondContact O-CB 3.39Å; I46-E50 WeakPolarHBondContact O-CG 3.41Å; I46-E50 PolarHBondContact O-N 3.4Å; A47-E50 PolarHBondContact O-N 3.47Å; E50-E52 VanDerWaalsContact C-N 3.34Å; E50-L53 HydrophobicContact CB-CD1 4.45Å; E50-L53 HydrophobicContact CG-CD1 4.17Å; E50-L53 WeakPolarHBondContact O-CB 3.29Å; E50-L53 PolarHBondContact O-N 2.99Å
51	A	60.1	Low	52.9	Low	86 Å²	86	122.1 Å²	122.1	71%	0.711	63%	0.632	S	S	*	*	H	α-helix	trans	-73.5	-28.2	172	0	0	0	0	0	112	A47 D48 L53	A47-A51 WeakPolarHBondContact O-CB 3.43Å; A47-A51 PolarHBondContact O-N 3.24Å; D48-A51 PolarHBondContact O-N 3Å; A51-L53 VanDerWaalsContact C-N 3.31Å
52	E	53.7	Low	51.2	Low	153 Å²	153	125.8 Å²	125.8	72%	0.715	65%	0.652	S	S	*	*	S	Bend	trans	-78.2	-12.7	167.9	-76.1	-174.6	177.7	0	0	113.1	D48 F49 E50 P54	D48-E52 WeakPolarHBondContact O-CB 3.46Å; D48-E52 WeakPolarHBondContact O-CG 3.18Å; D48-E52 PolarHBondContact O-N 2.69Å; F49-E52 CarbonylContact O-C 3.52Å; F49-E52 PolarHBondContact O-N 3.14Å; E50-E52 VanDerWaalsContact C-N 3.34Å; E52-P54 WeakPolarHBondContact O-CD 3.5Å; E52-P54 VanDerWaalsContact O-N 3.17Å
53	L	35.6	Very low	49.7	Very low	105 Å²	105	130.3 Å²	130.3	55%	0.55	67%	0.673	S	S	.	*	S	Bend	trans	-68.4	112.4	169.7	-69.1	173.3	0	0	0	107.6	F49 E50 A51 E55	F49-L53 WeakPolarHBondContact O-CG 3.46Å; F49-L53 PolarHBondContact O-N 3.38Å; E50-L53 HydrophobicContact CB-CD1 4.45Å; E50-L53 HydrophobicContact CG-CD1 4.17Å; E50-L53 WeakPolarHBondContact O-CB 3.29Å; E50-L53 PolarHBondContact O-N 2.99Å; A51-L53 VanDerWaalsContact C-N 3.31Å; L53-E55 PolarHBondContact O-N 3.38Å
54	P	36.7	Very low	47.9	Very low	82 Å²	82	132.8 Å²	132.8	53%	0.532	69%	0.687	S	S	.	*			trans	-62.5	126.7	-176.4	-15.1	28.4	0	0	0	108.9	E52 S56 F59	E52-P54 WeakPolarHBondContact O-CD 3.5Å; E52-P54 VanDerWaalsContact O-N 3.17Å; P54-S56 PolarHBondContact O-N 3.33Å; P54-F59 HydrophobicContact CB-CD2 4.4Å; P54-F59 HydrophobicContact CB-CE2 3.82Å; P54-F59 HydrophobicContact CG-CE2 4Å
55	E	41.5	Very low	46.2	Very low	187 Å²	187	137.1 Å²	137.1	87%	0.874	71%	0.707	S	S	*	*			trans	-48.6	116.5	168.9	-74	-171.8	160.8	0	0	107.9	L53 D57	L53-E55 PolarHBondContact O-N 3.38Å; E55-D57 VanDerWaalsContact C-N 3.31Å; E55-D57 PolarHBondContact O-N 3.45Å
56	S	39.2	Very low	44.9	Very low	109 Å²	109	144.6 Å²	144.6	76%	0.762	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	86.5	-173.4	55.5	0	0	0	0	109.6	P54	P54-S56 PolarHBondContact O-N 3.33Å
57	D	36.6	Very low	44.3	Very low	164 Å²	164	150.1 Å²	150.1	88%	0.877	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-160.3	1.1	154.2	-100.4	-21.3	0	0	0	116.6	E55	E55-D57 VanDerWaalsContact C-N 3.31Å; E55-D57 PolarHBondContact O-N 3.45Å
58	D	33.9	Very low	43.7	Very low	156 Å²	156	152.3 Å²	152.3	83%	0.834	76%	0.758	S	S	*	*	S	Bend	trans	-119.8	14.1	-176.7	-118.6	-2.5	0	0	0	117.5
59	F	31.1	Very low	44	Very low	182 Å²	182	152.7 Å²	152.7	80%	0.798	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	65.4	172.4	-77.6	-80.3	0	0	0	112.5	P54	P54-F59 HydrophobicContact CB-CD2 4.4Å; P54-F59 HydrophobicContact CB-CE2 3.82Å; P54-F59 HydrophobicContact CG-CE2 4Å
60	R	36	Very low	44.7	Very low	247 Å²	247	148.4 Å²	148.4	93%	0.932	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.3	3.7	161.9	-83.1	-172.5	89.4	142	2.5	115.9
61	E	35.3	Very low	45.9	Very low	190 Å²	190	146 Å²	146	89%	0.888	74%	0.744	S	S	*	*	S	Bend	trans	-131.9	78.9	174.7	-68.5	-167.4	162.8	0	0	111.7
62	D	35.4	Very low	47	Very low	141 Å²	141	144 Å²	144	75%	0.754	72%	0.724	S	S	*	*			trans	-166.4	8.8	139.2	-141.9	5.2	0	0	0	116.7	N64	D62-N64 VanDerWaalsContact C-N 3.29Å; D62-N64 PolarHBondContact O-N 2.81Å
63	M	34.8	Very low	48.3	Very low	191 Å²	191	140 Å²	140	94%	0.941	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	62.6	-179.9	-65.8	-68.7	-82	0	0	111.7
64	N	34.2	Very low	50.8	Low	157 Å²	157	136.7 Å²	136.7	84%	0.84	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.8	16.2	164	-102.3	-19.6	0	0	0	113.3	D62 K66	D62-N64 VanDerWaalsContact C-N 3.29Å; D62-N64 PolarHBondContact O-N 2.81Å; N64-K66 PolarHBondContact O-N 3.22Å; N64-K66 VanDerWaalsContact O-N 3.13Å
65	E	39.8	Very low	53.1	Low	172 Å²	172	133.1 Å²	133.1	80%	0.804	67%	0.67	S	S	*	*	S	Bend	trans	-69	108.9	159.9	-80.1	-162.3	152.4	0	0	109.4	R67	E65-R67 VanDerWaalsContact C-N 3.25Å; E65-R67 PolarHBondContact O-N 3.35Å
66	K	38.5	Very low	55.2	Low	208 Å²	208	127.7 Å²	127.7	90%	0.904	64%	0.642	S	S	*	*			trans	-59.3	81.2	174.6	-67.6	172.3	177.5	172.9	0	110.6	N64 S68	N64-K66 PolarHBondContact O-N 3.22Å; N64-K66 VanDerWaalsContact O-N 3.13Å; K66-S68 PolarHBondContact O-N 3.35Å
67	R	51.1	Low	57.4	Low	190 Å²	190	122.8 Å²	122.8	72%	0.717	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-61.3	129.1	165	-97	-177.2	177.4	178.1	1.5	108.7	E65	E65-R67 VanDerWaalsContact C-N 3.25Å; E65-R67 PolarHBondContact O-N 3.35Å
68	S	57.9	Low	59.7	Low	95 Å²	95	115 Å²	115	66%	0.664	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-57.2	139.5	170.2	50.2	0	0	0	0	109.7	K66 N70	K66-S68 PolarHBondContact O-N 3.35Å; S68-N70 PolarHBondContact O-N 2.88Å
69	P	72.7	Confident	61.9	Low	117 Å²	117	107.6 Å²	107.6	76%	0.76	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-58.9	134	178.2	24.3	-32.6	0	0	0	110.3
70	N	77	Confident	64.2	Low	57 Å²	57	101 Å²	101	31%	0.305	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-62.6	141.6	177.1	-67.1	-23.4	0	0	0	109.9	S68 L75	S68-N70 PolarHBondContact O-N 2.88Å; N70-L75 HydrophobicContact CB-CD2 3.96Å; N70-L75 HydrophobicContact CB-CG 4.19Å
71	T	82.7	Confident	66.4	Low	76 Å²	76	92.2 Å²	92.2	47%	0.466	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-73.8	155.2	177.5	62	0	0	0	0	111.6	S73 Q74 L75	T71-S73 PolarHBondContact O-N 3.48Å; T71-Q74 WeakPolarHBondContact O-CB 3.36Å; T71-Q74 PolarHBondContact O-N 2.99Å; T71-Q74 WeakPolarHBondContact OG1-CB 3.36Å; T71-Q74 VanDerWaalsContact OG1-CD 3.31Å; T71-Q74 VanDerWaalsContact OG1-CG 3.32Å; T71-Q74 WeakPolarHBondContact OG1-CG 3.46Å; T71-Q74 PolarHBondContact OG1-N 3.36Å; T71-Q74 PolarHBondContact OG1-OE1 3.27Å; T71-Q74 VanDerWaalsContact OG1-OE1 3.08Å; T71-L75 WeakPolarHBondContact O-CG 3.35Å; T71-L75 PolarHBondContact O-N 3.46Å; T71-L75 VanDerWaalsContact O-N 3.13Å
72	V	82.5	Confident	68.4	Low	46 Å²	46	84.9 Å²	84.9	28%	0.279	43%	0.434	S	S	.	.	H	α-helix	trans	-53.6	-40.7	175.1	178.1	0	0	0	0	111.3	L75 R76 L91 I94	V72-L75 PolarHBondContact O-N 2.83Å; V72-R76 HydrophobicContact CG1-CG 4.42Å; V72-R76 WeakPolarHBondContact O-CG 3.37Å; V72-R76 PolarHBondContact O-N 3Å; V72-L91 HydrophobicContact CB-CD1 4.43Å; V72-L91 HydrophobicContact CG2-CB 4.12Å; V72-L91 HydrophobicContact CG2-CD1 3.52Å; V72-L91 HydrophobicContact CG2-CG 4.28Å; V72-I94 HydrophobicContact CG1-CD1 3.74Å
73	S	82.3	Confident	70.1	Confident	68 Å²	68	78.3 Å²	78.3	48%	0.476	40%	0.399	S	S	.	.	H	α-helix	trans	-64	-43.8	-179.2	-56.1	0	0	0	0	112.4	T71 L75 R76 A77	T71-S73 PolarHBondContact O-N 3.48Å; S73-L75 PolarHBondContact O-N 2.99Å; S73-R76 PolarHBondContact O-N 3.4Å; S73-A77 PolarHBondContact O-N 3.24Å
74	Q	87	Confident	71.9	Confident	36 Å²	36	70.3 Å²	70.3	17%	0.168	36%	0.361	C	S	.	.	H	α-helix	trans	-58.1	-47.1	174.3	-86.1	167.3	-21.2	0	0	111.9	T71 R76 A77 V78 L109 E113	T71-Q74 WeakPolarHBondContact O-CB 3.36Å; T71-Q74 PolarHBondContact O-N 2.99Å; T71-Q74 WeakPolarHBondContact OG1-CB 3.36Å; T71-Q74 VanDerWaalsContact OG1-CD 3.31Å; T71-Q74 VanDerWaalsContact OG1-CG 3.32Å; T71-Q74 WeakPolarHBondContact OG1-CG 3.46Å; T71-Q74 PolarHBondContact OG1-N 3.36Å; T71-Q74 PolarHBondContact OG1-OE1 3.27Å; T71-Q74 VanDerWaalsContact OG1-OE1 3.08Å; Q74-R76 VanDerWaalsContact C-N 3.33Å; Q74-R76 PolarHBondContact O-N 3.43Å; Q74-A77 WeakPolarHBondContact O-CB 3.45Å; Q74-A77 PolarHBondContact O-N 2.99Å; Q74-V78 WeakPolarHBondContact O-CG2 3.32Å; Q74-V78 PolarHBondContact O-N 3.06Å; Q74-V78 VanDerWaalsContact O-N 3.12Å; Q74-L109 HydrophobicContact CB-CD1 3.84Å; Q74-L109 HydrophobicContact CG-CD1 4Å; Q74-E113 VanDerWaalsContact CD-OE1 3.27Å; Q74-E113 HydrophobicContact CG-CG 4.12Å; Q74-E113 WeakPolarHBondContact CG-OE1 3.29Å; Q74-E113 PolarHBondContact NE2-OE1 2.96Å
75	L	86.4	Confident	73.2	Confident	7 Å²	7	64.6 Å²	64.6	4%	0.037	33%	0.33	C	S	.	.	H	α-helix	trans	-64.9	-38.6	179.6	-63.6	175.7	0	0	0	112	N70 T71 V72 S73 V78 L79 L91 I94 E95 V98 I104	N70-L75 HydrophobicContact CB-CD2 3.96Å; N70-L75 HydrophobicContact CB-CG 4.19Å; T71-L75 WeakPolarHBondContact O-CG 3.35Å; T71-L75 PolarHBondContact O-N 3.46Å; T71-L75 VanDerWaalsContact O-N 3.13Å; V72-L75 PolarHBondContact O-N 2.83Å; S73-L75 PolarHBondContact O-N 2.99Å; L75-V78 PolarHBondContact O-N 3.23Å; L75-L79 WeakPolarHBondContact O-CG 3.5Å; L75-L79 PolarHBondContact O-N 3.25Å; L75-L91 HydrophobicContact CD1-CD1 3.86Å; L75-I94 HydrophobicContact CB-CG2 3.52Å; L75-I94 HydrophobicContact CD1-CG2 4.17Å; L75-E95 HydrophobicContact CD1-CG 3.5Å; L75-V98 HydrophobicContact CB-CG2 4.06Å; L75-V98 HydrophobicContact CD2-CB 4.46Å; L75-V98 HydrophobicContact CD2-CG1 4.16Å; L75-V98 HydrophobicContact CD2-CG2 4.14Å; L75-I104 HydrophobicContact CD2-CD1 3.63Å
76	R	84.5	Confident	74.4	Confident	73 Å²	73	59.1 Å²	59.1	28%	0.275	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-44.2	173.9	-76.3	-174.6	-172.6	158	5.7	112.2	V72 S73 Q74 V78 L79 D80 Y86 I94	V72-R76 HydrophobicContact CG1-CG 4.42Å; V72-R76 WeakPolarHBondContact O-CG 3.37Å; V72-R76 PolarHBondContact O-N 3Å; S73-R76 PolarHBondContact O-N 3.4Å; Q74-R76 VanDerWaalsContact C-N 3.33Å; Q74-R76 PolarHBondContact O-N 3.43Å; R76-V78 VanDerWaalsContact C-N 3.28Å; R76-V78 PolarHBondContact O-N 3.27Å; R76-L79 PolarHBondContact O-N 3.31Å; R76-L79 VanDerWaalsContact O-N 3.14Å; R76-D80 WeakPolarHBondContact O-CB 3.3Å; R76-D80 PolarHBondContact O-N 2.87Å; R76-Y86 HydrophobicContact CB-CE2 4.46Å; R76-Y86 WeakPolarHBondContact CB-OH 3.46Å; R76-Y86 HydrophobicContact CG-CE2 3.65Å; R76-Y86 WeakPolarHBondContact CG-OH 3.29Å; R76-I94 HydrophobicContact CG-CD1 4.13Å
77	A	85.2	Confident	75.4	Confident	6 Å²	6	52.2 Å²	52.2	5%	0.05	28%	0.28	C	S	.	.	H	α-helix	trans	-57.8	-42.7	176.7	0	0	0	0	0	111.6	S73 Q74 D80 Q81 A112 Q116	S73-A77 PolarHBondContact O-N 3.24Å; Q74-A77 WeakPolarHBondContact O-CB 3.45Å; Q74-A77 PolarHBondContact O-N 2.99Å; A77-D80 PolarHBondContact O-N 3.48Å; A77-Q81 WeakPolarHBondContact O-CB 3.5Å; A77-Q81 PolarHBondContact O-N 2.82Å; A77-A112 HydrophobicContact CB-CB 3.97Å; A77-Q116 HydrophobicContact CB-CB 4.33Å
78	V	85.3	Confident	75.9	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-43.7	175.6	174.3	0	0	0	0	111.5	Q74 L75 R76 D80 Q81 R82 I104 E108 L109 A112	Q74-V78 WeakPolarHBondContact O-CG2 3.32Å; Q74-V78 PolarHBondContact O-N 3.06Å; Q74-V78 VanDerWaalsContact O-N 3.12Å; L75-V78 PolarHBondContact O-N 3.23Å; R76-V78 VanDerWaalsContact C-N 3.28Å; R76-V78 PolarHBondContact O-N 3.27Å; V78-D80 VanDerWaalsContact C-N 3.34Å; V78-D80 PolarHBondContact O-N 3.11Å; V78-Q81 PolarHBondContact O-N 2.63Å; V78-R82 HydrophobicContact CG1-CG 4.42Å; V78-R82 WeakPolarHBondContact O-CB 3.48Å; V78-R82 VanDerWaalsContact O-CG 3.28Å; V78-R82 WeakPolarHBondContact O-CG 3.48Å; V78-R82 PolarHBondContact O-N 2.91Å; V78-I104 HydrophobicContact CG1-CG1 4.35Å; V78-I104 HydrophobicContact CG2-CG2 4.39Å; V78-E108 HydrophobicContact CG1-CG 4.48Å; V78-L109 HydrophobicContact CG2-CD1 4.15Å; V78-A112 HydrophobicContact CG2-CB 3.86Å
79	L	81	Confident	76.3	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.2	-40	176.7	-70.5	176.6	0	0	0	112.5	L75 R76 R82 G83 V84 Y86 I94 A97 V98	L75-L79 WeakPolarHBondContact O-CG 3.5Å; L75-L79 PolarHBondContact O-N 3.25Å; R76-L79 PolarHBondContact O-N 3.31Å; R76-L79 VanDerWaalsContact O-N 3.14Å; L79-R82 CarbonylContact O-C 3.58Å; L79-R82 PolarHBondContact O-N 2.8Å; L79-G83 PolarHBondContact O-N 3.39Å; L79-V84 HydrophobicContact CB-CB 4.4Å; L79-V84 HydrophobicContact CD2-CB 3.92Å; L79-V84 HydrophobicContact CD2-CG1 3.92Å; L79-V84 HydrophobicContact CD2-CG2 4.41Å; L79-V84 PolarHBondContact O-N 3.37Å; L79-Y86 HydrophobicContact CB-CD1 3.75Å; L79-Y86 HydrophobicContact CB-CE1 3.73Å; L79-Y86 HydrophobicContact CD1-CD1 3.53Å; L79-Y86 HydrophobicContact CD1-CE1 4.08Å; L79-Y86 HydrophobicContact CD1-CG 3.93Å; L79-Y86 HydrophobicContact CG-CD1 4.28Å; L79-I94 HydrophobicContact CD1-CG2 3.95Å; L79-A97 HydrophobicContact CD1-CB 4.08Å; L79-A97 HydrophobicContact CD2-CB 4.08Å; L79-V98 HydrophobicContact CD1-CG2 3.97Å; L79-V98 HydrophobicContact CD2-CB 4.38Å; L79-V98 HydrophobicContact CD2-CG2 3.59Å; L79-V98 HydrophobicContact CG-CG2 3.52Å
80	D	79.5	Confident	76.4	Confident	45 Å²	45	45.4 Å²	45.4	24%	0.241	25%	0.246	C	C	.	.	H	α-helix	trans	-62.3	-47	175.8	-81.5	-50.3	0	0	0	111.2	R76 A77 V78 R82 G83 Y86 R221	R76-D80 WeakPolarHBondContact O-CB 3.3Å; R76-D80 PolarHBondContact O-N 2.87Å; A77-D80 PolarHBondContact O-N 3.48Å; V78-D80 VanDerWaalsContact C-N 3.34Å; V78-D80 PolarHBondContact O-N 3.11Å; D80-R82 VanDerWaalsContact C-N 3.29Å; D80-R82 PolarHBondContact O-N 2.9Å; D80-G83 PolarHBondContact O-N 3.03Å; D80-Y86 PolarHBondContact OD2-OH 2.82Å; D80-R221 IonicContact OD1-CZ 2.74Å; D80-R221 IonicContact OD1-NH1 2.83Å; D80-R221 PolarHBondContact OD1-NH1 3.43Å; D80-R221 IonicContact OD1-NH2 3.82Å; D80-R221 PolarHBondContact OD1-NH2 3.05Å
81	Q	81.3	Confident	76.4	Confident	61 Å²	61	45.9 Å²	45.9	29%	0.285	25%	0.248	S	C	.	.	H	α-helix	trans	-60.3	-38.9	175.3	-175.2	173	65.2	0	0	111.9	A77 V78 G83 E115	A77-Q81 WeakPolarHBondContact O-CB 3.5Å; A77-Q81 PolarHBondContact O-N 2.82Å; V78-Q81 PolarHBondContact O-N 2.63Å; Q81-G83 PolarHBondContact O-N 3.16Å; Q81-E115 PolarHBondContact NE2-OE2 3.05Å
82	R	76.8	Confident	76	Confident	37 Å²	37	47.6 Å²	47.6	14%	0.14	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-9.7	175.3	-68.7	177.8	180	-172.3	-2.3	113.3	V78 L79 D80 V84 V98 T101 G102 V103 E108	V78-R82 HydrophobicContact CG1-CG 4.42Å; V78-R82 WeakPolarHBondContact O-CB 3.48Å; V78-R82 VanDerWaalsContact O-CG 3.28Å; V78-R82 WeakPolarHBondContact O-CG 3.48Å; V78-R82 PolarHBondContact O-N 2.91Å; L79-R82 CarbonylContact O-C 3.58Å; L79-R82 PolarHBondContact O-N 2.8Å; D80-R82 VanDerWaalsContact C-N 3.29Å; D80-R82 PolarHBondContact O-N 2.9Å; R82-V84 HydrophobicContact CB-CG2 3.82Å; R82-V98 PolarHBondContact NH1-O 3.49Å; R82-V98 VanDerWaalsContact NH1-O 3.15Å; R82-T101 WeakPolarHBondContact CD-OG1 3.41Å; R82-T101 VanDerWaalsContact NH1-C 3.27Å; R82-T101 PolarHBondContact NH1-O 3.13Å; R82-T101 PolarHBondContact NH1-OG1 2.85Å; R82-G102 PolarHBondContact NH1-O 3.35Å; R82-G102 PolarHBondContact NH2-O 3.46Å; R82-V103 PolarHBondContact NH2-O 3.1Å; R82-E108 IonicContact CZ-OE1 3.66Å; R82-E108 IonicContact CZ-OE2 3.12Å; R82-E108 IonicContact NE-OE1 2.63Å; R82-E108 PolarHBondContact NE-OE1 3.47Å; R82-E108 IonicContact NH2-OE1 3.94Å; R82-E108 PolarHBondContact NH2-OE1 3.45Å; R82-E108 IonicContact NH2-OE2 2.65Å; R82-E108 PolarHBondContact NH2-OE2 3.33Å
83	G	72.6	Confident	75.5	Confident	3 Å²	3	48.2 Å²	48.2	3%	0.031	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	35.6	-176.7	0	0	0	0	0	113.3	L79 D80 Q81 L370	L79-G83 PolarHBondContact O-N 3.39Å; D80-G83 PolarHBondContact O-N 3.03Å; Q81-G83 PolarHBondContact O-N 3.16Å; G83-L370 WeakPolarHBondContact O-CB 3.43Å; G83-L370 PolarHBondContact O-N 3.2Å
84	V	71.3	Confident	75.3	Confident	23 Å²	23	45 Å²	45	14%	0.139	23%	0.233	C	C	.	.			trans	-99.6	120	-178.4	178.3	0	0	0	0	109.2	L79 R82 Y86 T101 P369	L79-V84 HydrophobicContact CB-CB 4.4Å; L79-V84 HydrophobicContact CD2-CB 3.92Å; L79-V84 HydrophobicContact CD2-CG1 3.92Å; L79-V84 HydrophobicContact CD2-CG2 4.41Å; L79-V84 PolarHBondContact O-N 3.37Å; R82-V84 HydrophobicContact CB-CG2 3.82Å; V84-Y86 WeakPolarHBondContact O-CD1 3.28Å; V84-Y86 PolarHBondContact O-N 3.04Å; V84-T101 HydrophobicContact CG1-CG2 4.45Å; V84-T101 HydrophobicContact CG2-CG2 3.64Å; V84-P369 HydrophobicContact CG2-CB 4.45Å
85	L	62.6	Low	74.8	Confident	37 Å²	37	46.7 Å²	46.7	19%	0.194	24%	0.241	C	C	.	.			trans	-77.1	118.7	177.4	-91.8	175.9	0	0	0	111.3	H294 V298	L85-H294 WeakPolarHBondContact CD2-CD2 3.38Å; L85-H294 VanDerWaalsContact CD2-NE2 3.29Å; L85-H294 WeakPolarHBondContact CD2-NE2 3.39Å; L85-V298 HydrophobicContact CD1-CB 3.93Å; L85-V298 HydrophobicContact CD1-CG1 3.93Å; L85-V298 HydrophobicContact CD1-CG2 3.75Å; L85-V298 HydrophobicContact CG-CG2 4.46Å
86	Y	65.4	Low	74.1	Confident	57 Å²	57	50.6 Å²	50.6	22%	0.224	26%	0.258	C	S	.	.			trans	-118.7	131.8	171.2	58	-83.7	0	0	0	109	R76 L79 D80 V84	R76-Y86 HydrophobicContact CB-CE2 4.46Å; R76-Y86 WeakPolarHBondContact CB-OH 3.46Å; R76-Y86 HydrophobicContact CG-CE2 3.65Å; R76-Y86 WeakPolarHBondContact CG-OH 3.29Å; L79-Y86 HydrophobicContact CB-CD1 3.75Å; L79-Y86 HydrophobicContact CB-CE1 3.73Å; L79-Y86 HydrophobicContact CD1-CD1 3.53Å; L79-Y86 HydrophobicContact CD1-CE1 4.08Å; L79-Y86 HydrophobicContact CD1-CG 3.93Å; L79-Y86 HydrophobicContact CG-CD1 4.28Å; D80-Y86 PolarHBondContact OD2-OH 2.82Å; V84-Y86 WeakPolarHBondContact O-CD1 3.28Å; V84-Y86 PolarHBondContact O-N 3.04Å
87	S	58.8	Low	73.3	Confident	63 Å²	63	47.4 Å²	47.4	44%	0.441	25%	0.247	S	C	.	.			trans	-105.2	-12.7	174.3	49.3	0	0	0	0	112.6	S362 S364	S87-S362 WeakPolarHBondContact OG-CB 2.92Å; S87-S362 PolarHBondContact OG-OG 3.17Å; S87-S364 PolarHBondContact OG-OG 3.41Å
88	S	61.4	Low	72.8	Confident	18 Å²	18	47.1 Å²	47.1	13%	0.126	25%	0.245	C	C	.	.			trans	-81.8	142.4	-177.6	-168.8	0	0	0	0	111.5	E90 D93	S88-E90 PolarHBondContact OG-N 2.95Å; S88-D93 WeakPolarHBondContact CB-OD2 3.4Å; S88-D93 PolarHBondContact OG-OD2 3.33Å
89	V	65.8	Low	72.2	Confident	116 Å²	116	52.6 Å²	52.6	70%	0.703	27%	0.274	S	S	*	.			trans	-89.8	-16.7	173.4	-173.7	0	0	0	0	110.5
90	E	75	Confident	71.2	Confident	125 Å²	125	55.2 Å²	55.2	58%	0.584	29%	0.293	S	S	*	.			trans	-74.5	131.7	-173.1	-61.2	-171.3	-177.3	0	0	112	S88 N92 D93 I94	S88-E90 PolarHBondContact OG-N 2.95Å; E90-N92 VanDerWaalsContact C-N 3.27Å; E90-N92 PolarHBondContact O-N 3.36Å; E90-D93 PolarHBondContact O-N 3.03Å; E90-I94 PolarHBondContact O-N 3.49Å
91	L	77.6	Confident	70.6	Confident	66 Å²	66	55.4 Å²	55.4	35%	0.346	30%	0.295	S	S	.	.	H	α-helix	trans	-55.8	-41.9	-179.3	173.8	65.6	0	0	0	111.8	V72 L75 D93 I94 E95	V72-L91 HydrophobicContact CB-CD1 4.43Å; V72-L91 HydrophobicContact CG2-CB 4.12Å; V72-L91 HydrophobicContact CG2-CD1 3.52Å; V72-L91 HydrophobicContact CG2-CG 4.28Å; L75-L91 HydrophobicContact CD1-CD1 3.86Å; L91-D93 VanDerWaalsContact C-N 3.31Å; L91-D93 PolarHBondContact O-N 2.97Å; L91-I94 PolarHBondContact O-N 3.21Å; L91-I94 VanDerWaalsContact O-N 3.17Å; L91-E95 HydrophobicContact CD1-CG 3.94Å; L91-E95 HydrophobicContact CG-CG 4.24Å; L91-E95 WeakPolarHBondContact O-CB 3.47Å; L91-E95 PolarHBondContact O-N 2.92Å
92	N	73.7	Confident	69.9	Low	113 Å²	113	54.1 Å²	54.1	60%	0.604	30%	0.298	S	S	*	.	H	α-helix	trans	-61.4	-39.6	-178.6	-65	-19.2	0	0	0	112.2	E90 F96	E90-N92 VanDerWaalsContact C-N 3.27Å; E90-N92 PolarHBondContact O-N 3.36Å; N92-F96 WeakPolarHBondContact O-CB 3.5Å; N92-F96 PolarHBondContact O-N 3.13Å
93	D	72.5	Confident	69.9	Low	58 Å²	58	58.5 Å²	58.5	31%	0.31	33%	0.329	S	S	.	.	H	α-helix	trans	-69.7	-37.1	178.3	-72.4	-20.3	0	0	0	111.1	S88 E90 L91 A97	S88-D93 WeakPolarHBondContact CB-OD2 3.4Å; S88-D93 PolarHBondContact OG-OD2 3.33Å; E90-D93 PolarHBondContact O-N 3.03Å; L91-D93 VanDerWaalsContact C-N 3.31Å; L91-D93 PolarHBondContact O-N 2.97Å; D93-A97 WeakPolarHBondContact O-CB 3.2Å; D93-A97 PolarHBondContact O-N 3.37Å
94	I	77.1	Confident	70.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-68.8	-48.9	177.4	-66.5	169.9	0	0	0	110.5	V72 L75 R76 L79 E90 L91 F96 A97 V98	V72-I94 HydrophobicContact CG1-CD1 3.74Å; L75-I94 HydrophobicContact CB-CG2 3.52Å; L75-I94 HydrophobicContact CD1-CG2 4.17Å; R76-I94 HydrophobicContact CG-CD1 4.13Å; L79-I94 HydrophobicContact CD1-CG2 3.95Å; E90-I94 PolarHBondContact O-N 3.49Å; L91-I94 PolarHBondContact O-N 3.21Å; L91-I94 VanDerWaalsContact O-N 3.17Å; I94-F96 VanDerWaalsContact C-N 3.26Å; I94-F96 PolarHBondContact O-N 2.96Å; I94-A97 PolarHBondContact O-N 3.47Å; I94-V98 WeakPolarHBondContact O-CG2 3.34Å; I94-V98 PolarHBondContact O-N 2.9Å
95	E	78	Confident	71	Confident	72 Å²	72	62.1 Å²	62.1	34%	0.336	35%	0.349	S	S	.	.	H	α-helix	trans	-56.9	-43.3	174.4	-78.4	-177.8	-177.1	0	0	111	L75 L91 V98 N99	L75-E95 HydrophobicContact CD1-CG 3.5Å; L91-E95 HydrophobicContact CD1-CG 3.94Å; L91-E95 HydrophobicContact CG-CG 4.24Å; L91-E95 WeakPolarHBondContact O-CB 3.47Å; L91-E95 PolarHBondContact O-N 2.92Å; E95-V98 PolarHBondContact O-N 3.3Å; E95-N99 WeakPolarHBondContact O-CB 3.23Å; E95-N99 PolarHBondContact O-N 3.01Å; E95-N99 PolarHBondContact O-ND2 3.38Å
96	F	69.7	Low	72	Confident	90 Å²	90	64.2 Å²	64.2	40%	0.395	37%	0.367	S	S	.	.	H	α-helix	trans	-62.4	-47	176.1	-174.3	-88.3	0	0	0	112.1	N92 I94 V98 N99 S100 F355	N92-F96 WeakPolarHBondContact O-CB 3.5Å; N92-F96 PolarHBondContact O-N 3.13Å; I94-F96 VanDerWaalsContact C-N 3.26Å; I94-F96 PolarHBondContact O-N 2.96Å; F96-V98 VanDerWaalsContact C-N 3.32Å; F96-V98 PolarHBondContact O-N 3.43Å; F96-N99 PolarHBondContact O-N 3.44Å; F96-S100 WeakPolarHBondContact O-CB 3.26Å; F96-S100 PolarHBondContact O-N 3.39Å; F96-F355 HydrophobicContact CD1-CD1 4.28Å; F96-F355 HydrophobicContact CD1-CE1 4.02Å; F96-F355 AromaticContact CE1-CD1 3.5Å; F96-F355 HydrophobicContact CE1-CD1 3.5Å; F96-F355 AromaticContact CE1-CE1 3.56Å; F96-F355 HydrophobicContact CE1-CE1 3.56Å; F96-F355 HydrophobicContact CZ-CD1 4.43Å
97	A	69.2	Low	73.1	Confident	5 Å²	5	64.9 Å²	64.9	4%	0.041	38%	0.38	C	S	.	.	H	α-helix	trans	-60.4	-41.7	177.8	0	0	0	0	0	111.9	L79 D93 I94 S100 T101	L79-A97 HydrophobicContact CD1-CB 4.08Å; L79-A97 HydrophobicContact CD2-CB 4.08Å; D93-A97 WeakPolarHBondContact O-CB 3.2Å; D93-A97 PolarHBondContact O-N 3.37Å; I94-A97 PolarHBondContact O-N 3.47Å; A97-S100 PolarHBondContact O-N 3.21Å; A97-S100 PolarHBondContact O-OG 3.14Å; A97-T101 WeakPolarHBondContact O-CG2 3.33Å; A97-T101 PolarHBondContact O-N 3.18Å; A97-T101 PolarHBondContact O-OG1 3.4Å
98	V	75.1	Confident	74.5	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.006	37%	0.366	C	S	.	.	H	α-helix	trans	-63.6	-51.3	175.6	168.8	0	0	0	0	110.9	L75 L79 R82 I94 E95 F96 S100 T101 G102 I104	L75-V98 HydrophobicContact CB-CG2 4.06Å; L75-V98 HydrophobicContact CD2-CB 4.46Å; L75-V98 HydrophobicContact CD2-CG1 4.16Å; L75-V98 HydrophobicContact CD2-CG2 4.14Å; L79-V98 HydrophobicContact CD1-CG2 3.97Å; L79-V98 HydrophobicContact CD2-CB 4.38Å; L79-V98 HydrophobicContact CD2-CG2 3.59Å; L79-V98 HydrophobicContact CG-CG2 3.52Å; R82-V98 PolarHBondContact NH1-O 3.49Å; R82-V98 VanDerWaalsContact NH1-O 3.15Å; I94-V98 WeakPolarHBondContact O-CG2 3.34Å; I94-V98 PolarHBondContact O-N 2.9Å; E95-V98 PolarHBondContact O-N 3.3Å; F96-V98 VanDerWaalsContact C-N 3.32Å; F96-V98 PolarHBondContact O-N 3.43Å; V98-S100 PolarHBondContact O-N 3.09Å; V98-T101 PolarHBondContact O-N 3.37Å; V98-T101 PolarHBondContact O-OG1 2.81Å; V98-G102 PolarHBondContact O-N 3.12Å; V98-I104 HydrophobicContact CG1-CD1 3.25Å; V98-I104 HydrophobicContact CG1-CG1 3.5Å; V98-I104 VanDerWaalsContact CG1-CG1 3.5Å
99	N	70.9	Confident	75.8	Confident	115 Å²	115	64 Å²	64	62%	0.615	37%	0.367	S	S	*	.	H	α-helix	trans	-60	-32.8	180	-70.6	-24	0	0	0	112	E95 F96 T101 G102	E95-N99 WeakPolarHBondContact O-CB 3.23Å; E95-N99 PolarHBondContact O-N 3.01Å; E95-N99 PolarHBondContact O-ND2 3.38Å; F96-N99 PolarHBondContact O-N 3.44Å; N99-T101 PolarHBondContact O-N 3.22Å; N99-G102 PolarHBondContact O-N 2.9Å
100	S	61.4	Low	76.9	Confident	55 Å²	55	61.7 Å²	61.7	39%	0.385	36%	0.357	S	S	.	.	H	α-helix	trans	-69.6	-17.8	176.7	78.1	0	0	0	0	114.5	F96 A97 V98	F96-S100 WeakPolarHBondContact O-CB 3.26Å; F96-S100 PolarHBondContact O-N 3.39Å; A97-S100 PolarHBondContact O-N 3.21Å; A97-S100 PolarHBondContact O-OG 3.14Å; V98-S100 PolarHBondContact O-N 3.09Å
101	T	67	Low	77.7	Confident	49 Å²	49	59.8 Å²	59.8	30%	0.301	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	0.1	-176.2	51.8	0	0	0	0	112.7	R82 V84 A97 V98 N99	R82-T101 WeakPolarHBondContact CD-OG1 3.41Å; R82-T101 VanDerWaalsContact NH1-C 3.27Å; R82-T101 PolarHBondContact NH1-O 3.13Å; R82-T101 PolarHBondContact NH1-OG1 2.85Å; V84-T101 HydrophobicContact CG1-CG2 4.45Å; V84-T101 HydrophobicContact CG2-CG2 3.64Å; A97-T101 WeakPolarHBondContact O-CG2 3.33Å; A97-T101 PolarHBondContact O-N 3.18Å; A97-T101 PolarHBondContact O-OG1 3.4Å; V98-T101 PolarHBondContact O-N 3.37Å; V98-T101 PolarHBondContact O-OG1 2.81Å; N99-T101 PolarHBondContact O-N 3.22Å
102	G	66.5	Low	78.2	Confident	33 Å²	33	56.7 Å²	56.7	34%	0.34	34%	0.335	S	S	.	.			trans	120.6	164.9	177.2	0	0	0	0	0	112.7	R82 V98 N99	R82-G102 PolarHBondContact NH1-O 3.35Å; R82-G102 PolarHBondContact NH2-O 3.46Å; V98-G102 PolarHBondContact O-N 3.12Å; N99-G102 PolarHBondContact O-N 2.9Å
103	V	75.6	Confident	78.9	Confident	130 Å²	130	55 Å²	55	79%	0.788	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-63.4	138	178	-179.7	0	0	0	0	110	R82	R82-V103 PolarHBondContact NH2-O 3.1Å
104	I	82	Confident	79.8	Confident	26 Å²	26	54.9 Å²	54.9	13%	0.133	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-81.1	118.7	173.3	-55	169.3	0	0	0	109.3	L75 V78 V98 E108 L109	L75-I104 HydrophobicContact CD2-CD1 3.63Å; V78-I104 HydrophobicContact CG1-CG1 4.35Å; V78-I104 HydrophobicContact CG2-CG2 4.39Å; V98-I104 HydrophobicContact CG1-CD1 3.25Å; V98-I104 HydrophobicContact CG1-CG1 3.5Å; V98-I104 VanDerWaalsContact CG1-CG1 3.5Å; I104-E108 WeakPolarHBondContact CA-OE2 3.49Å; I104-L109 HydrophobicContact CG2-CB 3.95Å; I104-L109 HydrophobicContact CG2-CD1 4.45Å
105	T	85.7	Confident	80.3	Confident	76 Å²	76	57.9 Å²	57.9	47%	0.466	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-81.7	155.2	170.3	68.1	0	0	0	0	110.5	S107 E108 L109	T105-S107 PolarHBondContact O-N 2.91Å; T105-E108 PolarHBondContact N-OE2 3.14Å; T105-E108 PolarHBondContact O-N 3.08Å; T105-E108 VanDerWaalsContact OG1-CB 3.26Å; T105-E108 WeakPolarHBondContact OG1-CB 3.43Å; T105-E108 PolarHBondContact OG1-N 2.96Å; T105-E108 VanDerWaalsContact OG1-N 3.09Å; T105-L109 PolarHBondContact O-N 3.01Å
106	S	83.4	Confident	80.7	Confident	80 Å²	80	58.4 Å²	58.4	56%	0.559	35%	0.346	S	S	*	.	H	α-helix	trans	-61	-34.8	174.9	41.3	0	0	0	0	112.4	S110	S106-S110 WeakPolarHBondContact O-CB 3.21Å; S106-S110 PolarHBondContact O-N 3.07Å
107	S	87.9	Confident	81.6	Confident	71 Å²	71	59.3 Å²	59.3	50%	0.497	35%	0.354	S	S	.	.	H	α-helix	trans	-66.1	-44	175.4	178.7	0	0	0	0	111.9	T105 S110 N111	T105-S107 PolarHBondContact O-N 2.91Å; S107-S110 PolarHBondContact O-N 3.03Å; S107-N111 WeakPolarHBondContact O-CB 3.33Å; S107-N111 PolarHBondContact O-N 3.43Å; S107-N111 PolarHBondContact O-ND2 3.17Å; S107-N111 PolarHBondContact O-OD1 3.45Å
108	E	87.9	Confident	82.5	Confident	34 Å²	34	64.4 Å²	64.4	16%	0.159	38%	0.377	C	S	.	.	H	α-helix	trans	-61.8	-46.2	176.5	179.8	-178.6	-157.6	0	0	111.6	V78 R82 I104 T105 S110 N111 A112	V78-E108 HydrophobicContact CG1-CG 4.48Å; R82-E108 IonicContact CZ-OE1 3.66Å; R82-E108 IonicContact CZ-OE2 3.12Å; R82-E108 IonicContact NE-OE1 2.63Å; R82-E108 PolarHBondContact NE-OE1 3.47Å; R82-E108 IonicContact NH2-OE1 3.94Å; R82-E108 PolarHBondContact NH2-OE1 3.45Å; R82-E108 IonicContact NH2-OE2 2.65Å; R82-E108 PolarHBondContact NH2-OE2 3.33Å; I104-E108 WeakPolarHBondContact CA-OE2 3.49Å; T105-E108 PolarHBondContact N-OE2 3.14Å; T105-E108 PolarHBondContact O-N 3.08Å; T105-E108 VanDerWaalsContact OG1-CB 3.26Å; T105-E108 WeakPolarHBondContact OG1-CB 3.43Å; T105-E108 PolarHBondContact OG1-N 2.96Å; T105-E108 VanDerWaalsContact OG1-N 3.09Å; E108-S110 VanDerWaalsContact C-N 3.34Å; E108-S110 PolarHBondContact O-N 2.66Å; E108-N111 PolarHBondContact O-N 3.11Å; E108-A112 WeakPolarHBondContact O-CB 3.29Å; E108-A112 PolarHBondContact O-N 2.98Å
109	L	88.9	Confident	83.1	Confident	28 Å²	28	68 Å²	68	15%	0.147	39%	0.393	C	S	.	.	H	α-helix	trans	-58	-48.3	177.5	-172.8	66.5	0	0	0	111.2	Q74 V78 I104 T105 N111 A112 E113	Q74-L109 HydrophobicContact CB-CD1 3.84Å; Q74-L109 HydrophobicContact CG-CD1 4Å; V78-L109 HydrophobicContact CG2-CD1 4.15Å; I104-L109 HydrophobicContact CG2-CB 3.95Å; I104-L109 HydrophobicContact CG2-CD1 4.45Å; T105-L109 PolarHBondContact O-N 3.01Å; L109-N111 VanDerWaalsContact C-N 3.31Å; L109-N111 PolarHBondContact O-N 3.28Å; L109-A112 PolarHBondContact O-N 2.73Å; L109-E113 WeakPolarHBondContact O-CG 3.09Å; L109-E113 PolarHBondContact O-N 3.16Å
110	S	90	Very high	83.8	Confident	68 Å²	68	66.2 Å²	66.2	48%	0.476	39%	0.394	S	S	.	.	H	α-helix	trans	-62.2	-37.7	178	-175.7	0	0	0	0	112.4	S106 S107 E108 A114	S106-S110 WeakPolarHBondContact O-CB 3.21Å; S106-S110 PolarHBondContact O-N 3.07Å; S107-S110 PolarHBondContact O-N 3.03Å; E108-S110 VanDerWaalsContact C-N 3.34Å; E108-S110 PolarHBondContact O-N 2.66Å; S110-A114 VanDerWaalsContact O-CB 3.31Å; S110-A114 WeakPolarHBondContact O-CB 3.45Å; S110-A114 PolarHBondContact O-N 3.4Å
111	N	91.2	Very high	85.1	Confident	86 Å²	86	69.5 Å²	69.5	46%	0.46	41%	0.407	S	S	.	.	H	α-helix	trans	-70.6	-42.8	178.6	-68.7	-18.1	0	0	0	111.3	S107 E108 L109 E113 A114 E115	S107-N111 WeakPolarHBondContact O-CB 3.33Å; S107-N111 PolarHBondContact O-N 3.43Å; S107-N111 PolarHBondContact O-ND2 3.17Å; S107-N111 PolarHBondContact O-OD1 3.45Å; E108-N111 PolarHBondContact O-N 3.11Å; L109-N111 VanDerWaalsContact C-N 3.31Å; L109-N111 PolarHBondContact O-N 3.28Å; N111-E113 VanDerWaalsContact C-N 3.35Å; N111-A114 PolarHBondContact O-N 3.32Å; N111-E115 WeakPolarHBondContact O-CB 3.3Å; N111-E115 PolarHBondContact O-N 2.97Å
112	A	88.7	Confident	86	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.008	41%	0.406	C	S	.	.	H	α-helix	trans	-63.1	-41	177.6	0	0	0	0	0	111.6	A77 V78 E108 L109 Q116	A77-A112 HydrophobicContact CB-CB 3.97Å; V78-A112 HydrophobicContact CG2-CB 3.86Å; E108-A112 WeakPolarHBondContact O-CB 3.29Å; E108-A112 PolarHBondContact O-N 2.98Å; L109-A112 PolarHBondContact O-N 2.73Å; A112-Q116 WeakPolarHBondContact O-CB 3.43Å; A112-Q116 PolarHBondContact O-N 3.39Å
113	E	89.1	Confident	87.1	Confident	78 Å²	78	72.1 Å²	72.1	36%	0.364	41%	0.414	S	S	.	.	H	α-helix	trans	-65.4	-43	173.8	-73	-175.4	145	0	0	112.4	Q74 L109 N111 Q116 L117	Q74-E113 VanDerWaalsContact CD-OE1 3.27Å; Q74-E113 HydrophobicContact CG-CG 4.12Å; Q74-E113 WeakPolarHBondContact CG-OE1 3.29Å; Q74-E113 PolarHBondContact NE2-OE1 2.96Å; L109-E113 WeakPolarHBondContact O-CG 3.09Å; L109-E113 PolarHBondContact O-N 3.16Å; N111-E113 VanDerWaalsContact C-N 3.35Å; E113-Q116 PolarHBondContact O-N 3.17Å; E113-L117 WeakPolarHBondContact O-CB 2.97Å; E113-L117 PolarHBondContact O-N 3.16Å
114	A	90.3	Very high	87.7	Confident	54 Å²	54	66.7 Å²	66.7	45%	0.446	38%	0.379	S	S	.	.	H	α-helix	trans	-61.9	-43.6	176.9	0	0	0	0	0	111.6	S110 N111 L117 E118	S110-A114 VanDerWaalsContact O-CB 3.31Å; S110-A114 WeakPolarHBondContact O-CB 3.45Å; S110-A114 PolarHBondContact O-N 3.4Å; N111-A114 PolarHBondContact O-N 3.32Å; A114-L117 PolarHBondContact O-N 3.27Å; A114-E118 WeakPolarHBondContact O-CB 3.47Å; A114-E118 PolarHBondContact O-N 3.33Å
115	E	88.1	Confident	87.9	Confident	63 Å²	63	67.7 Å²	67.7	29%	0.294	39%	0.389	S	S	.	.	H	α-helix	trans	-63.4	-41.7	176.4	-174	176	175.7	0	0	111.5	Q81 N111 E118 F119	Q81-E115 PolarHBondContact NE2-OE2 3.05Å; N111-E115 WeakPolarHBondContact O-CB 3.3Å; N111-E115 PolarHBondContact O-N 2.97Å; E115-E118 PolarHBondContact O-N 2.92Å; E115-F119 WeakPolarHBondContact O-CB 3.36Å; E115-F119 PolarHBondContact O-N 2.97Å
116	Q	85.6	Confident	87.9	Confident	84 Å²	84	68.1 Å²	68.1	39%	0.393	39%	0.388	S	S	.	.	H	α-helix	trans	-66.5	-39.6	176.3	-169.8	174.9	28.6	0	0	112.2	A77 A112 E113 F119 A120	A77-Q116 HydrophobicContact CB-CB 4.33Å; A112-Q116 WeakPolarHBondContact O-CB 3.43Å; A112-Q116 PolarHBondContact O-N 3.39Å; E113-Q116 PolarHBondContact O-N 3.17Å; Q116-F119 PolarHBondContact O-N 3.34Å; Q116-A120 WeakPolarHBondContact O-CB 2.95Å; Q116-A120 PolarHBondContact O-N 3.43Å
117	L	88	Confident	88.2	Confident	108 Å²	108	65.2 Å²	65.2	57%	0.565	37%	0.368	S	S	*	.	H	α-helix	trans	-66.2	-42	175.7	-176.9	65.5	0	0	0	111.1	E113 A114 A120 N121	E113-L117 WeakPolarHBondContact O-CB 2.97Å; E113-L117 PolarHBondContact O-N 3.16Å; A114-L117 PolarHBondContact O-N 3.27Å; L117-A120 PolarHBondContact O-N 3.06Å; L117-N121 WeakPolarHBondContact O-CB 3.26Å; L117-N121 VanDerWaalsContact O-CG 3.23Å; L117-N121 PolarHBondContact O-N 3Å; L117-N121 PolarHBondContact O-ND2 3.06Å; L117-N121 VanDerWaalsContact O-ND2 3.13Å
118	E	88.8	Confident	88.4	Confident	112 Å²	112	63.1 Å²	63.1	52%	0.523	35%	0.353	S	S	.	.	H	α-helix	trans	-61.1	-47.7	174.5	-171.8	-177.9	167.3	0	0	110.7	A114 E115 A120 N121 T122	A114-E118 WeakPolarHBondContact O-CB 3.47Å; A114-E118 PolarHBondContact O-N 3.33Å; E115-E118 PolarHBondContact O-N 2.92Å; E118-A120 VanDerWaalsContact C-N 3.35Å; E118-A120 PolarHBondContact O-N 3.38Å; E118-N121 PolarHBondContact O-N 3.28Å; E118-T122 WeakPolarHBondContact O-CB 3.29Å; E118-T122 PolarHBondContact O-N 3.12Å; E118-T122 PolarHBondContact O-OG1 3.45Å
119	F	87.3	Confident	88.6	Confident	77 Å²	77	62 Å²	62	34%	0.338	35%	0.348	S	S	.	.	H	α-helix	trans	-57	-47	175.8	-176.1	-86.3	0	0	0	111.7	E115 Q116 N121 T122 F124 V217 Y220	E115-F119 WeakPolarHBondContact O-CB 3.36Å; E115-F119 PolarHBondContact O-N 2.97Å; Q116-F119 PolarHBondContact O-N 3.34Å; F119-N121 VanDerWaalsContact C-N 3.33Å; F119-N121 PolarHBondContact O-N 3.05Å; F119-T122 PolarHBondContact O-N 2.91Å; F119-F124 HydrophobicContact CD1-CE2 4.23Å; F119-F124 HydrophobicContact CD2-CE1 4.47Å; F119-F124 AromaticContact CD2-CE2 3.94Å; F119-F124 HydrophobicContact CD2-CE2 3.94Å; F119-F124 AromaticContact CD2-CZ 3.42Å; F119-F124 HydrophobicContact CD2-CZ 3.42Å; F119-F124 VanDerWaalsContact CD2-CZ 3.42Å; F119-F124 HydrophobicContact CE1-CE2 4.04Å; F119-F124 HydrophobicContact CE1-CZ 4.46Å; F119-F124 HydrophobicContact CE2-CE1 4.26Å; F119-F124 AromaticContact CE2-CE2 3.74Å; F119-F124 HydrophobicContact CE2-CE2 3.74Å; F119-F124 AromaticContact CE2-CZ 3.36Å; F119-F124 HydrophobicContact CE2-CZ 3.36Å; F119-F124 HydrophobicContact CG-CE2 4.17Å; F119-F124 HydrophobicContact CG-CZ 4.02Å; F119-F124 AromaticContact CZ-CE2 3.79Å; F119-F124 HydrophobicContact CZ-CE2 3.79Å; F119-F124 AromaticContact CZ-CZ 3.92Å; F119-F124 HydrophobicContact CZ-CZ 3.92Å; F119-F124 WeakPolarHBondContact O-CE2 3.36Å; F119-V217 HydrophobicContact CE2-CG1 4.12Å; F119-V217 HydrophobicContact CZ-CG1 4.12Å; F119-Y220 HydrophobicContact CB-CE1 4.35Å; F119-Y220 AromaticContact CD2-CD1 3.74Å; F119-Y220 HydrophobicContact CD2-CD1 3.74Å; F119-Y220 AromaticContact CD2-CE1 3.65Å; F119-Y220 HydrophobicContact CD2-CE1 3.65Å; F119-Y220 HydrophobicContact CE2-CD1 4.2Å; F119-Y220 HydrophobicContact CG-CE1 4.5Å
120	A	85.6	Confident	88.7	Confident	77 Å²	77	60.6 Å²	60.6	64%	0.636	34%	0.341	S	S	*	.	H	α-helix	trans	-65.6	-33.8	-180	0	0	0	0	0	113.2	Q116 L117 E118	Q116-A120 WeakPolarHBondContact O-CB 2.95Å; Q116-A120 PolarHBondContact O-N 3.43Å; L117-A120 PolarHBondContact O-N 3.06Å; E118-A120 VanDerWaalsContact C-N 3.35Å; E118-A120 PolarHBondContact O-N 3.38Å
121	N	88.7	Confident	88.7	Confident	124 Å²	124	58.2 Å²	58.2	66%	0.663	32%	0.322	S	S	*	.	H	α-helix	trans	-84.4	-13.7	178.1	-68.9	-29.1	0	0	0	113.2	L117 E118 F119 N123	L117-N121 WeakPolarHBondContact O-CB 3.26Å; L117-N121 VanDerWaalsContact O-CG 3.23Å; L117-N121 PolarHBondContact O-N 3Å; L117-N121 PolarHBondContact O-ND2 3.06Å; L117-N121 VanDerWaalsContact O-ND2 3.13Å; E118-N121 PolarHBondContact O-N 3.28Å; F119-N121 VanDerWaalsContact C-N 3.33Å; F119-N121 PolarHBondContact O-N 3.05Å; N121-N123 PolarHBondContact O-N 3.4Å
122	T	86.5	Confident	88.7	Confident	45 Å²	45	54.9 Å²	54.9	28%	0.276	31%	0.305	S	S	.	.			trans	-73.9	122.8	-176.8	-66.2	0	0	0	0	111	E118 F119 F124	E118-T122 WeakPolarHBondContact O-CB 3.29Å; E118-T122 PolarHBondContact O-N 3.12Å; E118-T122 PolarHBondContact O-OG1 3.45Å; F119-T122 PolarHBondContact O-N 2.91Å; T122-F124 HydrophobicContact CG2-CD1 3.96Å; T122-F124 HydrophobicContact CG2-CD2 4.37Å; T122-F124 HydrophobicContact CG2-CE1 3.73Å; T122-F124 HydrophobicContact CG2-CE2 4.18Å; T122-F124 HydrophobicContact CG2-CG 4.25Å; T122-F124 HydrophobicContact CG2-CZ 3.84Å; T122-F124 WeakPolarHBondContact O-CD2 3.34Å; T122-F124 PolarHBondContact O-N 3.34Å
123	N	88.9	Confident	88.8	Confident	92 Å²	92	55.1 Å²	55.1	49%	0.492	31%	0.305	S	S	.	.			trans	-80.9	85.4	171.3	-171.7	-18.4	0	0	0	110.5	N121 S125 N126 S127	N121-N123 PolarHBondContact O-N 3.4Å; N123-S125 PolarHBondContact O-N 3.47Å; N123-S125 PolarHBondContact OD1-N 3.16Å; N123-N126 PolarHBondContact ND2-ND2 3.34Å; N123-N126 VanDerWaalsContact ND2-ND2 3.2Å; N123-N126 PolarHBondContact O-N 2.85Å; N123-N126 VanDerWaalsContact O-N 3.07Å; N123-N126 PolarHBondContact OD1-N 3.16Å; N123-S127 PolarHBondContact O-N 3.06Å
124	F	88.8	Confident	88.7	Confident	16 Å²	16	54.3 Å²	54.3	7%	0.07	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-57.9	-29.4	-178.9	-73.4	-68.4	0	0	0	114.3	F119 T122 N126 S127 A130 Q213 S216 V217 Y220	F119-F124 HydrophobicContact CD1-CE2 4.23Å; F119-F124 HydrophobicContact CD2-CE1 4.47Å; F119-F124 AromaticContact CD2-CE2 3.94Å; F119-F124 HydrophobicContact CD2-CE2 3.94Å; F119-F124 AromaticContact CD2-CZ 3.42Å; F119-F124 HydrophobicContact CD2-CZ 3.42Å; F119-F124 VanDerWaalsContact CD2-CZ 3.42Å; F119-F124 HydrophobicContact CE1-CE2 4.04Å; F119-F124 HydrophobicContact CE1-CZ 4.46Å; F119-F124 HydrophobicContact CE2-CE1 4.26Å; F119-F124 AromaticContact CE2-CE2 3.74Å; F119-F124 HydrophobicContact CE2-CE2 3.74Å; F119-F124 AromaticContact CE2-CZ 3.36Å; F119-F124 HydrophobicContact CE2-CZ 3.36Å; F119-F124 HydrophobicContact CG-CE2 4.17Å; F119-F124 HydrophobicContact CG-CZ 4.02Å; F119-F124 AromaticContact CZ-CE2 3.79Å; F119-F124 HydrophobicContact CZ-CE2 3.79Å; F119-F124 AromaticContact CZ-CZ 3.92Å; F119-F124 HydrophobicContact CZ-CZ 3.92Å; F119-F124 WeakPolarHBondContact O-CE2 3.36Å; T122-F124 HydrophobicContact CG2-CD1 3.96Å; T122-F124 HydrophobicContact CG2-CD2 4.37Å; T122-F124 HydrophobicContact CG2-CE1 3.73Å; T122-F124 HydrophobicContact CG2-CE2 4.18Å; T122-F124 HydrophobicContact CG2-CG 4.25Å; T122-F124 HydrophobicContact CG2-CZ 3.84Å; T122-F124 WeakPolarHBondContact O-CD2 3.34Å; T122-F124 PolarHBondContact O-N 3.34Å; F124-N126 VanDerWaalsContact C-N 3.26Å; F124-N126 PolarHBondContact O-N 3.01Å; F124-S127 PolarHBondContact O-N 2.95Å; F124-S127 PolarHBondContact O-OG 2.84Å; F124-A130 WeakPolarHBondContact O-CB 3.26Å; F124-Q213 HydrophobicContact CB-CG 3.98Å; F124-S216 WeakPolarHBondContact CB-OG 3.5Å; F124-S216 WeakPolarHBondContact O-CB 3.44Å; F124-S216 PolarHBondContact O-OG 3.03Å; F124-V217 HydrophobicContact CB-CG2 4.09Å; F124-V217 HydrophobicContact CD1-CB 4.46Å; F124-V217 HydrophobicContact CD1-CG2 3.66Å; F124-V217 HydrophobicContact CD2-CG2 3.88Å; F124-V217 HydrophobicContact CE1-CG2 4.07Å; F124-V217 HydrophobicContact CE2-CG2 4.24Å; F124-V217 HydrophobicContact CG-CG2 3.57Å; F124-V217 HydrophobicContact CZ-CG2 4.35Å; F124-Y220 HydrophobicContact CE1-CD1 4.48Å; F124-Y220 HydrophobicContact CE1-CD2 4.37Å; F124-Y220 AromaticContact CE1-CG 3.99Å; F124-Y220 HydrophobicContact CE1-CG 3.99Å; F124-Y220 HydrophobicContact CZ-CD1 4.47Å; F124-Y220 HydrophobicContact CZ-CG 4.37Å
125	S	85.6	Confident	88.5	Confident	48 Å²	48	56.7 Å²	56.7	34%	0.336	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-70.7	-23.1	178.7	-55	0	0	0	0	113.2	N123	N123-S125 PolarHBondContact O-N 3.47Å; N123-S125 PolarHBondContact OD1-N 3.16Å
126	N	86.6	Confident	88.4	Confident	84 Å²	84	54.7 Å²	54.7	45%	0.449	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-111.8	11	179.9	-72.7	-28.4	0	0	0	113.1	N123 F124	N123-N126 PolarHBondContact ND2-ND2 3.34Å; N123-N126 VanDerWaalsContact ND2-ND2 3.2Å; N123-N126 PolarHBondContact O-N 2.85Å; N123-N126 VanDerWaalsContact O-N 3.07Å; N123-N126 PolarHBondContact OD1-N 3.16Å; F124-N126 VanDerWaalsContact C-N 3.26Å; F124-N126 PolarHBondContact O-N 3.01Å
127	S	89.9	Confident	88.3	Confident	19 Å²	19	53 Å²	53	13%	0.133	29%	0.285	C	S	.	.	S	Bend	trans	-65.6	156.5	176.5	84.1	0	0	0	0	111.1	N123 F124 D129 A130 L131 S216	N123-S127 PolarHBondContact O-N 3.06Å; F124-S127 PolarHBondContact O-N 2.95Å; F124-S127 PolarHBondContact O-OG 2.84Å; S127-D129 PolarHBondContact O-N 3.07Å; S127-A130 PolarHBondContact O-N 3.41Å; S127-A130 VanDerWaalsContact O-N 3.1Å; S127-A130 PolarHBondContact OG-N 2.86Å; S127-L131 WeakPolarHBondContact O-CG 3.48Å; S127-L131 PolarHBondContact O-N 3.18Å; S127-S216 WeakPolarHBondContact OG-CB 3.36Å
128	P	91.1	Very high	88	Confident	28 Å²	28	51.1 Å²	51.1	18%	0.182	28%	0.276	C	S	.	.	H	α-helix	trans	-53.4	-41.1	177.6	-25.6	33.1	0	0	0	113	L132 F153 P155	P128-L132 WeakPolarHBondContact O-CB 3.2Å; P128-L132 PolarHBondContact O-N 3.39Å; P128-F153 HydrophobicContact CB-CD1 4.28Å; P128-F153 HydrophobicContact CG-CD1 3.71Å; P128-F153 HydrophobicContact CG-CE1 4Å; P128-F153 HydrophobicContact CG-CG 4.37Å; P128-P155 HydrophobicContact CB-CB 3.99Å
129	D	92.9	Very high	87	Confident	9 Å²	9	49.7 Å²	49.7	5%	0.048	28%	0.277	C	S	.	.	H	α-helix	trans	-68.7	-37.5	178.4	-72.2	-70.8	0	0	0	112.8	S127 L132 Y133 N156 S157 C219	S127-D129 PolarHBondContact O-N 3.07Å; D129-L132 PolarHBondContact O-N 3.01Å; D129-Y133 WeakPolarHBondContact O-CB 3.31Å; D129-Y133 PolarHBondContact O-N 2.94Å; D129-N156 PolarHBondContact OD1-N 3.23Å; D129-N156 VanDerWaalsContact OD1-N 3.12Å; D129-N156 PolarHBondContact OD2-N 3.28Å; D129-S157 WeakPolarHBondContact OD1-CB 3.36Å; D129-S157 PolarHBondContact OD1-N 3.04Å; D129-S157 PolarHBondContact OD1-OG 2.65Å; D129-C219 HydrophobicContact CB-CB 4.3Å
130	A	91	Very high	86	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.9	-45.1	174.7	0	0	0	0	0	111.7	F124 S127 L132 Y133 R134 E212	F124-A130 WeakPolarHBondContact O-CB 3.26Å; S127-A130 PolarHBondContact O-N 3.41Å; S127-A130 VanDerWaalsContact O-N 3.1Å; S127-A130 PolarHBondContact OG-N 2.86Å; A130-L132 VanDerWaalsContact C-N 3.32Å; A130-L132 PolarHBondContact O-N 3.49Å; A130-Y133 PolarHBondContact O-N 2.91Å; A130-R134 WeakPolarHBondContact O-CB 3.34Å; A130-R134 PolarHBondContact O-N 2.96Å; A130-E212 HydrophobicContact CB-CB 4.05Å; A130-E212 WeakPolarHBondContact CB-O 3.48Å
131	L	89.8	Confident	84.6	Confident	18 Å²	18	54.6 Å²	54.6	9%	0.094	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-40.1	177.8	-64.9	177.2	0	0	0	111.6	S127 K135 V144 L146 F153	S127-L131 WeakPolarHBondContact O-CG 3.48Å; S127-L131 PolarHBondContact O-N 3.18Å; L131-K135 WeakPolarHBondContact O-CB 3.37Å; L131-K135 PolarHBondContact O-N 3.12Å; L131-V144 HydrophobicContact CB-CG1 4.35Å; L131-V144 HydrophobicContact CD1-CG1 4.14Å; L131-V144 HydrophobicContact CD2-CG1 3.99Å; L131-V144 HydrophobicContact CG-CG1 4.4Å; L131-L146 HydrophobicContact CB-CD1 3.6Å; L131-L146 HydrophobicContact CD1-CD1 3.67Å; L131-L146 HydrophobicContact CG-CD1 4.27Å; L131-F153 HydrophobicContact CD1-CE1 4.38Å
132	L	90.6	Very high	82.9	Confident	16 Å²	16	57.7 Å²	57.7	8%	0.084	30%	0.295	C	S	.	.	H	α-helix	trans	-62.7	-47.2	174.8	-177.5	67	0	0	0	111.5	P128 D129 A130 K135 L136 P155 V159 L231	P128-L132 WeakPolarHBondContact O-CB 3.2Å; P128-L132 PolarHBondContact O-N 3.39Å; D129-L132 PolarHBondContact O-N 3.01Å; A130-L132 VanDerWaalsContact C-N 3.32Å; A130-L132 PolarHBondContact O-N 3.49Å; L132-K135 PolarHBondContact O-N 3.2Å; L132-L136 WeakPolarHBondContact O-CB 3.46Å; L132-L136 PolarHBondContact O-N 3.1Å; L132-L136 VanDerWaalsContact O-N 3.15Å; L132-P155 HydrophobicContact CB-CB 4.43Å; L132-P155 HydrophobicContact CD2-CB 3.85Å; L132-P155 HydrophobicContact CD2-CG 3.83Å; L132-V159 HydrophobicContact CD1-CG2 3.9Å; L132-V159 HydrophobicContact CD2-CG2 4.03Å; L132-V159 HydrophobicContact CG-CG2 4.09Å; L132-L231 HydrophobicContact CD2-CD1 3.93Å; L132-L231 HydrophobicContact CG-CD1 3.86Å
133	Y	91.5	Very high	81.3	Confident	6 Å²	6	60 Å²	60	2%	0.024	31%	0.314	C	S	.	.	H	α-helix	trans	-58.8	-49.7	176.3	-173.7	-93.1	0	0	0	111.5	D129 A130 K135 L136 V137 A181 V210 E212 W215 L231	D129-Y133 WeakPolarHBondContact O-CB 3.31Å; D129-Y133 PolarHBondContact O-N 2.94Å; A130-Y133 PolarHBondContact O-N 2.91Å; Y133-K135 PolarHBondContact O-N 3.24Å; Y133-L136 PolarHBondContact O-N 3.48Å; Y133-L136 VanDerWaalsContact O-N 3.1Å; Y133-V137 HydrophobicContact CD1-CG2 4.07Å; Y133-V137 HydrophobicContact CE1-CG2 3.7Å; Y133-V137 HydrophobicContact CE2-CG2 4.22Å; Y133-V137 PolarHBondContact O-N 2.83Å; Y133-A181 HydrophobicContact CE2-CB 3.99Å; Y133-V210 HydrophobicContact CE2-CG1 4.28Å; Y133-V210 PolarHBondContact OH-O 3.46Å; Y133-E212 HydrophobicContact CD1-CB 3.97Å; Y133-W215 HydrophobicContact CD2-CB 4.15Å; Y133-W215 AromaticContact CD2-CG 3.95Å; Y133-W215 HydrophobicContact CD2-CG 3.95Å; Y133-W215 HydrophobicContact CG-CB 4.28Å; Y133-W215 HydrophobicContact CG-CG 4.35Å; Y133-L231 HydrophobicContact CD2-CD1 4.46Å; Y133-L231 HydrophobicContact CD2-CD2 3.64Å; Y133-L231 HydrophobicContact CE2-CD2 4.22Å
134	R	87.5	Confident	79.7	Confident	61 Å²	61	57.2 Å²	57.2	23%	0.23	30%	0.3	C	S	.	.	H	α-helix	trans	-58.1	-46.9	179.3	-177.9	174.1	67.6	176.7	-5.2	112	A130 L136 V137 N138 E212	A130-R134 WeakPolarHBondContact O-CB 3.34Å; A130-R134 PolarHBondContact O-N 2.96Å; R134-L136 PolarHBondContact O-N 3.17Å; R134-V137 PolarHBondContact O-N 3.16Å; R134-N138 PolarHBondContact O-N 3.41Å; R134-E212 HydrophobicContact CB-CB 4.41Å
135	K	85.3	Confident	78.1	Confident	104 Å²	104	63.5 Å²	63.5	45%	0.452	33%	0.334	S	S	.	.	H	α-helix	trans	-58.7	-35.9	177.9	-178.8	177.2	178.1	178.8	0	111.9	L131 L132 Y133	L131-K135 WeakPolarHBondContact O-CB 3.37Å; L131-K135 PolarHBondContact O-N 3.12Å; L132-K135 PolarHBondContact O-N 3.2Å; Y133-K135 PolarHBondContact O-N 3.24Å
136	L	86	Confident	76.8	Confident	21 Å²	21	62 Å²	62	11%	0.11	32%	0.322	C	S	.	.	H	α-helix	trans	-80	-37.1	-176.6	-163.9	141.6	0	0	0	112.9	L132 Y133 R134 V159 A183 L231 N233	L132-L136 WeakPolarHBondContact O-CB 3.46Å; L132-L136 PolarHBondContact O-N 3.1Å; L132-L136 VanDerWaalsContact O-N 3.15Å; Y133-L136 PolarHBondContact O-N 3.48Å; Y133-L136 VanDerWaalsContact O-N 3.1Å; R134-L136 PolarHBondContact O-N 3.17Å; L136-V159 HydrophobicContact CD1-CB 4.1Å; L136-V159 HydrophobicContact CD1-CG1 3.26Å; L136-V159 HydrophobicContact CD1-CG2 3.65Å; L136-A183 HydrophobicContact CD2-CB 3.02Å; L136-A183 HydrophobicContact CG-CB 4.49Å; L136-L231 HydrophobicContact CD1-CB 4.47Å; L136-N233 HydrophobicContact CD1-CB 4.44Å; L136-N233 HydrophobicContact CD2-CB 4.28Å
137	V	84.1	Confident	75.3	Confident	47 Å²	47	63.2 Å²	63.2	29%	0.285	33%	0.329	S	S	.	.	H	α-helix	trans	-80.6	-35.5	177.8	178.2	0	0	0	0	112.1	Y133 R134 A183	Y133-V137 HydrophobicContact CD1-CG2 4.07Å; Y133-V137 HydrophobicContact CE1-CG2 3.7Å; Y133-V137 HydrophobicContact CE2-CG2 4.22Å; Y133-V137 PolarHBondContact O-N 2.83Å; R134-V137 PolarHBondContact O-N 3.16Å; V137-A183 HydrophobicContact CG2-CB 4.02Å
138	N	81.5	Confident	73.7	Confident	69 Å²	69	67.7 Å²	67.7	37%	0.369	34%	0.343	S	S	.	.			trans	-128.1	84.6	180	-171.2	-2.5	0	0	0	112	R134 F140 H141	R134-N138 PolarHBondContact O-N 3.41Å; N138-F140 PolarHBondContact O-N 2.92Å; N138-F140 PolarHBondContact OD1-N 3.09Å; N138-H141 PolarHBondContact O-N 3.04Å
139	P	68.2	Low	71.8	Confident	83 Å²	83	71.2 Å²	71.2	54%	0.539	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.8	-177.3	24.2	-31.3	0	0	0	114.7	H141	P139-H141 VanDerWaalsContact C-N 3.25Å; P139-H141 PolarHBondContact O-N 3.37Å
140	F	65.4	Low	70	Confident	166 Å²	166	73 Å²	73	73%	0.728	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-11.6	179.5	-64.7	-74.8	0	0	0	113.6	N138 Q142 L188	N138-F140 PolarHBondContact O-N 2.92Å; N138-F140 PolarHBondContact OD1-N 3.09Å; F140-Q142 VanDerWaalsContact C-N 3.3Å; F140-Q142 PolarHBondContact O-N 3.3Å; F140-L188 HydrophobicContact CZ-CD2 4.5Å
141	H	56.6	Low	68.3	Low	90 Å²	90	78.7 Å²	78.7	42%	0.417	43%	0.428	S	S	.	.			trans	-77.5	79.2	173.4	-120.2	-74.7	0	0	0	110.4	N138 P139 S143	N138-H141 PolarHBondContact O-N 3.04Å; P139-H141 VanDerWaalsContact C-N 3.25Å; P139-H141 PolarHBondContact O-N 3.37Å; H141-S143 PolarHBondContact ND1-OG 3.11Å; H141-S143 VanDerWaalsContact ND1-OG 3.14Å; H141-S143 PolarHBondContact O-N 3.35Å
142	Q	52.7	Low	67	Low	189 Å²	189	82.4 Å²	82.4	88%	0.883	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-12.7	177.2	-79.3	179	-15.6	0	0	113.9	F140 V144	F140-Q142 VanDerWaalsContact C-N 3.3Å; F140-Q142 PolarHBondContact O-N 3.3Å; Q142-V144 PolarHBondContact O-N 3.3Å; Q142-V144 VanDerWaalsContact O-N 3.12Å
143	S	52.5	Low	66.1	Low	95 Å²	95	86 Å²	86	66%	0.664	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	10.9	-167.7	68.1	0	0	0	0	115.9	H141	H141-S143 PolarHBondContact ND1-OG 3.11Å; H141-S143 VanDerWaalsContact ND1-OG 3.14Å; H141-S143 PolarHBondContact O-N 3.35Å
144	V	56.1	Low	65.7	Low	33 Å²	33	93.5 Å²	93.5	20%	0.2	50%	0.504	C	S	.	.			trans	-120.6	88.7	-178.5	-165.3	0	0	0	0	109.6	L131 Q142 L146	L131-V144 HydrophobicContact CB-CG1 4.35Å; L131-V144 HydrophobicContact CD1-CG1 4.14Å; L131-V144 HydrophobicContact CD2-CG1 3.99Å; L131-V144 HydrophobicContact CG-CG1 4.4Å; Q142-V144 PolarHBondContact O-N 3.3Å; Q142-V144 VanDerWaalsContact O-N 3.12Å; V144-L146 HydrophobicContact CG1-CD1 3.56Å; V144-L146 PolarHBondContact O-N 3.21Å; V144-L146 VanDerWaalsContact O-N 3.14Å
145	N	54.9	Low	65.7	Low	148 Å²	148	91.4 Å²	91.4	79%	0.791	50%	0.498	S	S	*	.			trans	-76.5	97.5	168.6	-150.8	9.2	0	0	0	107.7	D147	N145-D147 PolarHBondContact O-N 3.45Å
146	L	58.5	Low	66	Low	17 Å²	17	90.7 Å²	90.7	9%	0.089	50%	0.499	C	S	.	.			trans	-79.5	101.2	173.5	-123.7	83.8	0	0	0	107.5	L131 V144 Y148	L131-L146 HydrophobicContact CB-CD1 3.6Å; L131-L146 HydrophobicContact CD1-CD1 3.67Å; L131-L146 HydrophobicContact CG-CD1 4.27Å; V144-L146 HydrophobicContact CG1-CD1 3.56Å; V144-L146 PolarHBondContact O-N 3.21Å; V144-L146 VanDerWaalsContact O-N 3.14Å; L146-Y148 HydrophobicContact CB-CD2 4.19Å; L146-Y148 HydrophobicContact CB-CE1 4.32Å; L146-Y148 HydrophobicContact CB-CE2 3.74Å; L146-Y148 HydrophobicContact CD2-CD1 4.07Å; L146-Y148 HydrophobicContact CD2-CE1 3.4Å; L146-Y148 VanDerWaalsContact CD2-CE1 3.4Å; L146-Y148 HydrophobicContact CD2-CE2 4.34Å; L146-Y148 HydrophobicContact CG-CE1 4.43Å; L146-Y148 WeakPolarHBondContact O-CD2 3.48Å; L146-Y148 PolarHBondContact O-N 2.66Å
147	D	56.1	Low	66.4	Low	109 Å²	109	90 Å²	90	58%	0.583	50%	0.496	S	S	*	.			trans	-73.4	80.2	170.7	-89	-18.4	0	0	0	109.9	N145 A149 S150	N145-D147 PolarHBondContact O-N 3.45Å; D147-A149 PolarHBondContact O-N 3.2Å; D147-S150 PolarHBondContact O-N 3.05Å; D147-S150 PolarHBondContact O-OG 2.81Å
148	Y	55.2	Low	66.8	Low	112 Å²	112	90.7 Å²	90.7	44%	0.439	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-14.8	176.8	-63.6	-81.8	0	0	0	113.6	L146 S150 P155	L146-Y148 HydrophobicContact CB-CD2 4.19Å; L146-Y148 HydrophobicContact CB-CE1 4.32Å; L146-Y148 HydrophobicContact CB-CE2 3.74Å; L146-Y148 HydrophobicContact CD2-CD1 4.07Å; L146-Y148 HydrophobicContact CD2-CE1 3.4Å; L146-Y148 VanDerWaalsContact CD2-CE1 3.4Å; L146-Y148 HydrophobicContact CD2-CE2 4.34Å; L146-Y148 HydrophobicContact CG-CE1 4.43Å; L146-Y148 WeakPolarHBondContact O-CD2 3.48Å; L146-Y148 PolarHBondContact O-N 2.66Å; Y148-S150 VanDerWaalsContact C-N 3.32Å; Y148-P155 HydrophobicContact CE1-CG 4.48Å
149	A	51.3	Low	67.4	Low	102 Å²	102	89.2 Å²	89.2	84%	0.843	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-21.9	177.3	0	0	0	0	0	113	D147 S151	D147-A149 PolarHBondContact O-N 3.2Å; A149-S151 PolarHBondContact O-N 3.42Å
150	S	55.5	Low	68.7	Low	47 Å²	47	85.3 Å²	85.3	33%	0.329	47%	0.465	S	S	.	.	S	Bend	trans	-76.9	109.8	170.4	62.1	0	0	0	0	108.7	D147 Y148 S152 F153	D147-S150 PolarHBondContact O-N 3.05Å; D147-S150 PolarHBondContact O-OG 2.81Å; Y148-S150 VanDerWaalsContact C-N 3.32Å; S150-S152 PolarHBondContact O-N 2.86Å; S150-F153 PolarHBondContact O-N 2.76Å
151	S	55	Low	69.9	Low	120 Å²	120	80.6 Å²	80.6	84%	0.839	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-55.4	-20.7	178.9	53.8	0	0	0	0	113.1	A149 F153	A149-S151 PolarHBondContact O-N 3.42Å; S151-F153 VanDerWaalsContact C-N 3.29Å; S151-F153 PolarHBondContact O-N 3.13Å
152	S	61.7	Low	71.6	Confident	96 Å²	96	78.4 Å²	78.4	67%	0.671	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-71.5	-13.3	176.5	55.7	0	0	0	0	114.8	S150	S150-S152 PolarHBondContact O-N 2.86Å
153	F	71.6	Confident	73.5	Confident	91 Å²	91	73.7 Å²	73.7	40%	0.399	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-124.6	32	-172.3	-112	-90.2	0	0	0	114	P128 L131 S150 S151	P128-F153 HydrophobicContact CB-CD1 4.28Å; P128-F153 HydrophobicContact CG-CD1 3.71Å; P128-F153 HydrophobicContact CG-CE1 4Å; P128-F153 HydrophobicContact CG-CG 4.37Å; L131-F153 HydrophobicContact CD1-CE1 4.38Å; S150-F153 PolarHBondContact O-N 2.76Å; S151-F153 VanDerWaalsContact C-N 3.29Å; S151-F153 PolarHBondContact O-N 3.13Å
154	K	83.2	Confident	75.5	Confident	164 Å²	164	73.5 Å²	73.5	71%	0.713	42%	0.419	S	S	*	.			trans	-82.7	122.6	177.7	-170.4	179.7	178.2	-176.9	0	111.2
155	P	89.1	Confident	77.2	Confident	17 Å²	17	74.6 Å²	74.6	11%	0.11	42%	0.422	C	S	.	.			trans	-68.6	148.3	172.7	28.6	-33.3	0	0	0	111.5	P128 L132 Y148 S157	P128-P155 HydrophobicContact CB-CB 3.99Å; L132-P155 HydrophobicContact CB-CB 4.43Å; L132-P155 HydrophobicContact CD2-CB 3.85Å; L132-P155 HydrophobicContact CD2-CG 3.83Å; Y148-P155 HydrophobicContact CE1-CG 4.48Å; P155-S157 VanDerWaalsContact C-N 3.35Å
156	N	90.3	Very high	79.1	Confident	88 Å²	88	67.6 Å²	67.6	47%	0.471	39%	0.385	S	S	.	.	S	Bend	trans	-78.1	-25.4	174.8	-66.9	-56.6	0	0	0	112.2	D129 Q223	D129-N156 PolarHBondContact OD1-N 3.23Å; D129-N156 VanDerWaalsContact OD1-N 3.12Å; D129-N156 PolarHBondContact OD2-N 3.28Å; N156-Q223 VanDerWaalsContact CG-OE1 3.23Å; N156-Q223 PolarHBondContact ND2-OE1 3.34Å
157	S	94.2	Very high	80.7	Confident	8 Å²	8	69 Å²	69	6%	0.056	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-75.4	137.9	-179.7	-49.9	0	0	0	0	112.2	D129 P155 W215 C219 M229	D129-S157 WeakPolarHBondContact OD1-CB 3.36Å; D129-S157 PolarHBondContact OD1-N 3.04Å; D129-S157 PolarHBondContact OD1-OG 2.65Å; P155-S157 VanDerWaalsContact C-N 3.35Å; S157-W215 WeakPolarHBondContact OG-CZ2 3.45Å; S157-W215 PolarHBondContact OG-NE1 2.83Å; S157-C219 PolarHBondContact OG-SG 2.76Å; S157-C219 VanDerWaalsContact OG-SG 3.34Å; S157-M229 WeakPolarHBondContact CA-O 3.39Å
158	I	93.9	Very high	82.5	Confident	61 Å²	61	68.3 Å²	68.3	31%	0.313	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	136.4	169.8	-65.5	165.7	0	0	0	108.7	F160 W178 M229 G230 L231	I158-F160 HydrophobicContact CG2-CD1 4.43Å; I158-F160 HydrophobicContact CG2-CE1 4.1Å; I158-F160 HydrophobicContact CG2-CZ 4.32Å; I158-W178 HydrophobicContact CD1-CH2 4.05Å; I158-M229 PolarHBondContact N-O 3.35Å; I158-G230 CarbonylContact O-C 3.53Å; I158-G230 WeakPolarHBondContact O-CA 3.45Å; I158-L231 PolarHBondContact O-N 3.31Å
159	V	94.4	Very high	84.2	Confident	38 Å²	38	64.9 Å²	64.9	23%	0.23	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.6	172.1	175.4	0	0	0	0	108.8	L132 L136 D161 L231	L132-V159 HydrophobicContact CD1-CG2 3.9Å; L132-V159 HydrophobicContact CD2-CG2 4.03Å; L132-V159 HydrophobicContact CG-CG2 4.09Å; L136-V159 HydrophobicContact CD1-CB 4.1Å; L136-V159 HydrophobicContact CD1-CG1 3.26Å; L136-V159 HydrophobicContact CD1-CG2 3.65Å; V159-D161 HydrophobicContact CG1-CB 4.36Å; V159-D161 PolarHBondContact O-N 3.4Å; V159-L231 HydrophobicContact CG2-CB 4.28Å; V159-L231 HydrophobicContact CG2-CD1 4.23Å
160	F	95	Very high	86.1	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	107.1	170.6	-64.8	-64.2	0	0	0	109.5	I158 E165 F166 H169 V170 W178 L180 L231 L232 N233 L237	I158-F160 HydrophobicContact CG2-CD1 4.43Å; I158-F160 HydrophobicContact CG2-CE1 4.1Å; I158-F160 HydrophobicContact CG2-CZ 4.32Å; F160-E165 HydrophobicContact CD1-CB 4.4Å; F160-E165 HydrophobicContact CD1-CG 4.02Å; F160-E165 HydrophobicContact CE1-CG 4.14Å; F160-F166 HydrophobicContact CB-CB 4.41Å; F160-F166 HydrophobicContact CD1-CB 4.05Å; F160-F166 HydrophobicContact CD2-CD2 4.17Å; F160-F166 HydrophobicContact CE2-CD2 4.49Å; F160-F166 HydrophobicContact CG-CB 4.26Å; F160-F166 HydrophobicContact CG-CD2 4.18Å; F160-H169 HydrophobicContact CE1-CB 3.79Å; F160-H169 HydrophobicContact CZ-CB 3.94Å; F160-V170 HydrophobicContact CE2-CG2 4.13Å; F160-V170 HydrophobicContact CZ-CG2 3.88Å; F160-W178 HydrophobicContact CE2-CE3 4.11Å; F160-W178 HydrophobicContact CE2-CH2 4.33Å; F160-W178 AromaticContact CE2-CZ3 3.76Å; F160-W178 HydrophobicContact CE2-CZ3 3.76Å; F160-W178 HydrophobicContact CZ-CE3 4.2Å; F160-W178 AromaticContact CZ-CH2 3.66Å; F160-W178 HydrophobicContact CZ-CH2 3.66Å; F160-W178 HydrophobicContact CZ-CZ2 4.36Å; F160-W178 AromaticContact CZ-CZ3 3.56Å; F160-W178 HydrophobicContact CZ-CZ3 3.56Å; F160-L180 HydrophobicContact CD2-CD2 4.3Å; F160-L180 HydrophobicContact CE2-CD2 3.85Å; F160-L231 PolarHBondContact N-O 3.24Å; F160-L232 HydrophobicContact CB-CD1 4.15Å; F160-N233 PolarHBondContact O-N 3.4Å; F160-N233 VanDerWaalsContact O-N 3.13Å; F160-L237 HydrophobicContact CB-CD1 4.11Å; F160-L237 VanDerWaalsContact O-CD1 3.25Å; F160-L237 WeakPolarHBondContact O-CD1 3.42Å
161	D	90.6	Very high	87.7	Confident	68 Å²	68	59.7 Å²	59.7	36%	0.364	33%	0.326	S	S	.	.			trans	-119	-3.8	176	83.7	-17.7	0	0	0	114.2	V159 K236	V159-D161 HydrophobicContact CG1-CB 4.36Å; V159-D161 PolarHBondContact O-N 3.4Å; D161-K236 HydrophobicContact CB-CD 3.72Å; D161-K236 IonicContact OD2-NZ 2.79Å; D161-K236 PolarHBondContact OD2-NZ 3.38Å
162	S	92.5	Very high	89.2	Confident	44 Å²	44	59.3 Å²	59.3	31%	0.308	32%	0.315	S	S	.	.	S	Bend	trans	-125.5	144.2	169.3	76.9	0	0	0	0	111.5	S164 E165 F166 L237	S162-S164 VanDerWaalsContact C-N 3.31Å; S162-S164 PolarHBondContact O-N 3.14Å; S162-E165 PolarHBondContact O-N 3.32Å; S162-E165 WeakPolarHBondContact OG-CB 3.39Å; S162-E165 PolarHBondContact OG-N 2.88Å; S162-F166 PolarHBondContact O-N 3.2Å; S162-L237 VanDerWaalsContact C-CD2 3.45Å
163	E	93.3	Very high	90	Very high	89 Å²	89	58.4 Å²	58.4	42%	0.416	30%	0.299	S	S	.	.	H	α-helix	trans	-64.4	-39	177.9	175.3	172.3	-174.2	0	0	111.2	E165 F166 I167 L237 L240	E163-E165 VanDerWaalsContact C-N 3.33Å; E163-E165 PolarHBondContact O-N 3.04Å; E163-F166 PolarHBondContact O-N 2.69Å; E163-I167 HydrophobicContact CG-CD1 3.66Å; E163-I167 HydrophobicContact CG-CG1 4.21Å; E163-I167 VanDerWaalsContact O-CG1 3.31Å; E163-I167 WeakPolarHBondContact O-CG1 3.39Å; E163-I167 PolarHBondContact O-N 3.48Å; E163-L237 HydrophobicContact CB-CD2 4.36Å; E163-L237 VanDerWaalsContact N-CD2 3.34Å; E163-L240 HydrophobicContact CG-CD1 4.14Å
164	S	92.7	Very high	90.3	Very high	91 Å²	91	57.4 Å²	57.4	64%	0.636	29%	0.294	S	S	*	.	H	α-helix	trans	-57.7	-44.9	178.2	-56.8	0	0	0	0	112.3	S162 I167 E168	S162-S164 VanDerWaalsContact C-N 3.31Å; S162-S164 PolarHBondContact O-N 3.14Å; S164-I167 PolarHBondContact O-N 2.87Å; S164-E168 WeakPolarHBondContact O-CB 3.38Å; S164-E168 PolarHBondContact O-N 2.73Å
165	E	93.5	Very high	90.1	Very high	57 Å²	57	53.2 Å²	53.2	27%	0.266	28%	0.28	S	S	.	.	H	α-helix	trans	-67.7	-40.1	-179.9	-172.7	179.4	-170.1	0	0	111.6	F160 S162 E163 E168 H169	F160-E165 HydrophobicContact CD1-CB 4.4Å; F160-E165 HydrophobicContact CD1-CG 4.02Å; F160-E165 HydrophobicContact CE1-CG 4.14Å; S162-E165 PolarHBondContact O-N 3.32Å; S162-E165 WeakPolarHBondContact OG-CB 3.39Å; S162-E165 PolarHBondContact OG-N 2.88Å; E163-E165 VanDerWaalsContact C-N 3.33Å; E163-E165 PolarHBondContact O-N 3.04Å; E165-E168 PolarHBondContact O-N 3.12Å; E165-H169 WeakPolarHBondContact O-CB 3.4Å; E165-H169 PolarHBondContact O-N 3.3Å; E165-H169 PolarHBondContact O-ND1 3.36Å
166	F	94.5	Very high	89.9	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.1	-48.3	173.5	175.5	-95.4	0	0	0	111.4	F160 S162 E163 H169 V170 E171 L180 L232 L240 F246 F268	F160-F166 HydrophobicContact CB-CB 4.41Å; F160-F166 HydrophobicContact CD1-CB 4.05Å; F160-F166 HydrophobicContact CD2-CD2 4.17Å; F160-F166 HydrophobicContact CE2-CD2 4.49Å; F160-F166 HydrophobicContact CG-CB 4.26Å; F160-F166 HydrophobicContact CG-CD2 4.18Å; S162-F166 PolarHBondContact O-N 3.2Å; E163-F166 PolarHBondContact O-N 2.69Å; F166-H169 PolarHBondContact O-N 3.3Å; F166-V170 HydrophobicContact CD2-CB 4.4Å; F166-V170 HydrophobicContact CD2-CG2 3.92Å; F166-V170 HydrophobicContact CE2-CB 4.16Å; F166-V170 HydrophobicContact CE2-CG1 4.31Å; F166-V170 HydrophobicContact CE2-CG2 3.88Å; F166-V170 HydrophobicContact CZ-CB 4.32Å; F166-V170 HydrophobicContact CZ-CG1 4.25Å; F166-V170 VanDerWaalsContact O-CB 3.29Å; F166-V170 WeakPolarHBondContact O-CB 2.96Å; F166-V170 PolarHBondContact O-N 2.86Å; F166-E171 HydrophobicContact CD1-CG 4.49Å; F166-E171 HydrophobicContact CE1-CG 4.05Å; F166-L180 HydrophobicContact CE2-CD1 3.9Å; F166-L232 HydrophobicContact CD2-CD1 3.98Å; F166-L232 HydrophobicContact CE2-CD1 4.23Å; F166-L240 HydrophobicContact CB-CD2 4.21Å; F166-L240 HydrophobicContact CD1-CD1 4.21Å; F166-L240 HydrophobicContact CD1-CD2 3.64Å; F166-L240 HydrophobicContact CD1-CG 4.47Å; F166-L240 HydrophobicContact CE1-CD1 4.33Å; F166-L240 HydrophobicContact CE1-CD2 4.12Å; F166-L240 HydrophobicContact CG-CD2 3.87Å; F166-F246 AromaticContact CZ-CE2 3.93Å; F166-F246 HydrophobicContact CZ-CE2 3.93Å; F166-F246 HydrophobicContact CZ-CZ 4.4Å; F166-F268 HydrophobicContact CE1-CZ 4.38Å; F166-F268 AromaticContact CZ-CE1 3.81Å; F166-F268 HydrophobicContact CZ-CE1 3.81Å; F166-F268 HydrophobicContact CZ-CZ 4.01Å
167	I	92.4	Very high	89.9	Confident	47 Å²	47	49.2 Å²	49.2	24%	0.241	26%	0.259	C	S	.	.	I	π-helix	trans	-60.8	-48.6	178.2	-68.9	172.6	0	0	0	110.1	E163 S164 H169 E171 D172	E163-I167 HydrophobicContact CG-CD1 3.66Å; E163-I167 HydrophobicContact CG-CG1 4.21Å; E163-I167 VanDerWaalsContact O-CG1 3.31Å; E163-I167 WeakPolarHBondContact O-CG1 3.39Å; E163-I167 PolarHBondContact O-N 3.48Å; S164-I167 PolarHBondContact O-N 2.87Å; I167-H169 VanDerWaalsContact C-N 3.33Å; I167-H169 PolarHBondContact O-N 3Å; I167-E171 HydrophobicContact CG2-CB 4.31Å; I167-E171 CarbonylContact O-C 3.57Å; I167-E171 WeakPolarHBondContact O-CA 3.11Å; I167-E171 WeakPolarHBondContact O-CB 3.45Å; I167-E171 PolarHBondContact O-N 3.3Å; I167-D172 PolarHBondContact O-N 3.32Å
168	E	92	Very high	89.9	Confident	95 Å²	95	49 Å²	49	44%	0.444	26%	0.257	S	S	.	.	I	π-helix	trans	-60.7	-42.9	-177.6	-166.2	-157.4	135.3	0	0	112.1	S164 E165 K173	S164-E168 WeakPolarHBondContact O-CB 3.38Å; S164-E168 PolarHBondContact O-N 2.73Å; E165-E168 PolarHBondContact O-N 3.12Å; E168-K173 VanDerWaalsContact O-CG 3.3Å; E168-K173 WeakPolarHBondContact O-CG 3.1Å; E168-K173 PolarHBondContact O-N 3.16Å; E168-K173 IonicContact OE1-NZ 3.6Å; E168-K173 PolarHBondContact OE1-NZ 3.5Å
169	H	91.6	Very high	90.1	Very high	39 Å²	39	46.1 Å²	46.1	18%	0.181	24%	0.242	C	C	.	.	I	π-helix	trans	-85.8	-34.4	-172.6	-74.3	86.5	0	0	0	114.3	F160 E165 F166 I167 K173 W178	F160-H169 HydrophobicContact CE1-CB 3.79Å; F160-H169 HydrophobicContact CZ-CB 3.94Å; E165-H169 WeakPolarHBondContact O-CB 3.4Å; E165-H169 PolarHBondContact O-N 3.3Å; E165-H169 PolarHBondContact O-ND1 3.36Å; F166-H169 PolarHBondContact O-N 3.3Å; I167-H169 VanDerWaalsContact C-N 3.33Å; I167-H169 PolarHBondContact O-N 3Å; H169-K173 PolarHBondContact NE2-NZ 3.15Å; H169-W178 HydrophobicContact CB-CH2 4.07Å; H169-W178 HydrophobicContact CB-CZ2 3.74Å; H169-W178 WeakPolarHBondContact O-CZ2 3.25Å; H169-W178 PolarHBondContact O-NE1 3Å; H169-W178 VanDerWaalsContact O-NE1 3.09Å
170	V	92.1	Very high	90.2	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.018	23%	0.231	C	C	.	.	I	π-helix	trans	-103.9	-50.4	-174.4	-175.4	0	0	0	0	110.6	F160 F166 W178 A254 V266 F268	F160-V170 HydrophobicContact CE2-CG2 4.13Å; F160-V170 HydrophobicContact CZ-CG2 3.88Å; F166-V170 HydrophobicContact CD2-CB 4.4Å; F166-V170 HydrophobicContact CD2-CG2 3.92Å; F166-V170 HydrophobicContact CE2-CB 4.16Å; F166-V170 HydrophobicContact CE2-CG1 4.31Å; F166-V170 HydrophobicContact CE2-CG2 3.88Å; F166-V170 HydrophobicContact CZ-CB 4.32Å; F166-V170 HydrophobicContact CZ-CG1 4.25Å; F166-V170 VanDerWaalsContact O-CB 3.29Å; F166-V170 WeakPolarHBondContact O-CB 2.96Å; F166-V170 PolarHBondContact O-N 2.86Å; V170-W178 HydrophobicContact CG1-CG 4.44Å; V170-W178 HydrophobicContact CG2-CD2 3.94Å; V170-W178 HydrophobicContact CG2-CE3 4.43Å; V170-W178 HydrophobicContact CG2-CG 4.12Å; V170-W178 HydrophobicContact CG2-CZ2 4.45Å; V170-A254 HydrophobicContact CG1-CB 3.93Å; V170-V266 HydrophobicContact CG1-CG1 4.3Å; V170-V266 WeakPolarHBondContact O-CG2 3.31Å; V170-F268 HydrophobicContact CG1-CE1 4Å; V170-F268 HydrophobicContact CG1-CZ 4.34Å
171	E	87.9	Confident	90.2	Very high	37 Å²	37	44.3 Å²	44.3	17%	0.173	23%	0.231	C	C	.	.	I	π-helix	trans	-88.5	-33.5	-169.8	-56.4	-151.9	122.8	0	0	114.5	F166 I167 K174 R244 F268	F166-E171 HydrophobicContact CD1-CG 4.49Å; F166-E171 HydrophobicContact CE1-CG 4.05Å; I167-E171 HydrophobicContact CG2-CB 4.31Å; I167-E171 CarbonylContact O-C 3.57Å; I167-E171 WeakPolarHBondContact O-CA 3.11Å; I167-E171 WeakPolarHBondContact O-CB 3.45Å; I167-E171 PolarHBondContact O-N 3.3Å; E171-K174 WeakPolarHBondContact O-CD 3.5Å; E171-K174 WeakPolarHBondContact O-CE 3.41Å; E171-K174 WeakPolarHBondContact O-CG 3.41Å; E171-R244 VanDerWaalsContact CD-NH1 3.27Å; E171-R244 VanDerWaalsContact CD-NH2 3.34Å; E171-R244 IonicContact OE1-CZ 3.16Å; E171-R244 VanDerWaalsContact OE1-CZ 3.24Å; E171-R244 IonicContact OE1-NH1 2.85Å; E171-R244 PolarHBondContact OE1-NH1 2.95Å; E171-R244 IonicContact OE1-NH2 2.84Å; E171-R244 PolarHBondContact OE1-NH2 3Å; E171-R244 IonicContact OE2-CZ 2.78Å; E171-R244 IonicContact OE2-NH1 2.7Å; E171-R244 IonicContact OE2-NH2 2.63Å; E171-R244 PolarHBondContact OE2-NH2 3Å; E171-F268 HydrophobicContact CG-CZ 4.36Å
172	D	86	Confident	90.2	Very high	112 Å²	112	41.2 Å²	41.2	60%	0.599	21%	0.214	S	C	*	.	I	π-helix	trans	-87.2	-44.3	178.8	-79	-19.8	0	0	0	111	I167 K174	I167-D172 PolarHBondContact O-N 3.32Å; D172-K174 PolarHBondContact O-N 3.14Å
173	K	79.8	Confident	89.9	Confident	78 Å²	78	39.1 Å²	39.1	34%	0.339	20%	0.2	S	C	.	.			trans	-79.1	68.7	171.8	-68.6	170.9	-161.2	159.5	0	110	E168 H169 D175	E168-K173 VanDerWaalsContact O-CG 3.3Å; E168-K173 WeakPolarHBondContact O-CG 3.1Å; E168-K173 PolarHBondContact O-N 3.16Å; E168-K173 IonicContact OE1-NZ 3.6Å; E168-K173 PolarHBondContact OE1-NZ 3.5Å; H169-K173 PolarHBondContact NE2-NZ 3.15Å; K173-D175 PolarHBondContact O-N 3.3Å
174	K	78.2	Confident	88.9	Confident	69 Å²	69	37.1 Å²	37.1	30%	0.3	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	34.4	-177.9	-54.9	176.7	-174.9	175.1	0	113	E171 D172 P256 K263 D264 V266	E171-K174 WeakPolarHBondContact O-CD 3.5Å; E171-K174 WeakPolarHBondContact O-CE 3.41Å; E171-K174 WeakPolarHBondContact O-CG 3.41Å; D172-K174 PolarHBondContact O-N 3.14Å; K174-P256 VanDerWaalsContact C-CG 3.43Å; K174-P256 WeakPolarHBondContact O-CB 2.97Å; K174-P256 WeakPolarHBondContact O-CG 3.17Å; K174-K263 HydrophobicContact CB-CB 3.79Å; K174-K263 WeakPolarHBondContact CD-O 3.43Å; K174-K263 WeakPolarHBondContact O-CB 3.41Å; K174-K263 WeakPolarHBondContact O-CD 3.11Å; K174-K263 WeakPolarHBondContact O-CE 3.47Å; K174-K263 WeakPolarHBondContact O-CG 3.12Å; K174-D264 PolarHBondContact NZ-O 3.1Å; K174-V266 HydrophobicContact CG-CG2 4Å
175	D	77.5	Confident	87.5	Confident	77 Å²	77	34.5 Å²	34.5	41%	0.412	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-11.9	-171.8	66.8	-9.6	0	0	0	115.3	K173 K228 K263	K173-D175 PolarHBondContact O-N 3.3Å; D175-K228 IonicContact OD1-NZ 3.14Å; D175-K263 VanDerWaalsContact CA-NZ 3.28Å; D175-K263 PolarHBondContact O-NZ 2.81Å
176	S	85.8	Confident	85.7	Confident	13 Å²	13	40.3 Å²	40.3	9%	0.091	20%	0.204	C	C	.	.	S	Bend	trans	-124.2	151.9	-167	30.8	0	0	0	0	111.8	W178 K228 P256	S176-W178 PolarHBondContact OG-NE1 3.2Å; S176-K228 WeakPolarHBondContact OG-CE 3.45Å; S176-K228 PolarHBondContact OG-NZ 3.31Å; S176-P256 WeakPolarHBondContact O-CD 3.39Å
177	V	90.2	Very high	83.3	Confident	8 Å²	8	45.4 Å²	45.4	5%	0.048	24%	0.239	C	C	.	.			trans	-88	132	168.1	-174.7	0	0	0	0	107.8	F227 K228 L253 L255 V377	V177-F227 HydrophobicContact CB-CD1 4.15Å; V177-F227 HydrophobicContact CB-CE1 4.4Å; V177-F227 HydrophobicContact CB-CG 4.27Å; V177-F227 HydrophobicContact CG1-CD1 3.49Å; V177-F227 VanDerWaalsContact CG1-CD1 3.49Å; V177-F227 HydrophobicContact CG1-CE1 3.49Å; V177-F227 VanDerWaalsContact CG1-CE1 3.49Å; V177-F227 HydrophobicContact CG1-CG 4.1Å; V177-F227 HydrophobicContact CG1-CZ 4.09Å; V177-K228 PolarHBondContact O-N 3.14Å; V177-L253 HydrophobicContact CG1-CD1 3.51Å; V177-L253 HydrophobicContact CG1-CG 4.45Å; V177-L255 HydrophobicContact CG1-CB 4.39Å; V177-L255 HydrophobicContact CG2-CB 4.4Å; V177-V377 HydrophobicContact CG2-CB 3.66Å; V177-V377 HydrophobicContact CG2-CG1 3.55Å; V177-V377 HydrophobicContact CG2-CG2 3.42Å; V177-V377 VanDerWaalsContact CG2-CG2 3.42Å
178	W	94.8	Very high	80.6	Confident	3 Å²	3	50.3 Å²	50.3	1%	0.011	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.5	177.8	-77.6	88.9	0	0	0	110.1	I158 F160 H169 V170 S176 L180 K228 A254	I158-W178 HydrophobicContact CD1-CH2 4.05Å; F160-W178 HydrophobicContact CE2-CE3 4.11Å; F160-W178 HydrophobicContact CE2-CH2 4.33Å; F160-W178 AromaticContact CE2-CZ3 3.76Å; F160-W178 HydrophobicContact CE2-CZ3 3.76Å; F160-W178 HydrophobicContact CZ-CE3 4.2Å; F160-W178 AromaticContact CZ-CH2 3.66Å; F160-W178 HydrophobicContact CZ-CH2 3.66Å; F160-W178 HydrophobicContact CZ-CZ2 4.36Å; F160-W178 AromaticContact CZ-CZ3 3.56Å; F160-W178 HydrophobicContact CZ-CZ3 3.56Å; H169-W178 HydrophobicContact CB-CH2 4.07Å; H169-W178 HydrophobicContact CB-CZ2 3.74Å; H169-W178 WeakPolarHBondContact O-CZ2 3.25Å; H169-W178 PolarHBondContact O-NE1 3Å; H169-W178 VanDerWaalsContact O-NE1 3.09Å; V170-W178 HydrophobicContact CG1-CG 4.44Å; V170-W178 HydrophobicContact CG2-CD2 3.94Å; V170-W178 HydrophobicContact CG2-CE3 4.43Å; V170-W178 HydrophobicContact CG2-CG 4.12Å; V170-W178 HydrophobicContact CG2-CZ2 4.45Å; S176-W178 PolarHBondContact OG-NE1 3.2Å; W178-L180 HydrophobicContact CB-CD2 4.15Å; W178-L180 HydrophobicContact CB-CG 4.21Å; W178-L180 HydrophobicContact CE3-CD2 3.99Å; W178-K228 CarbonylContact C-O 3.54Å; W178-K228 VanDerWaalsContact CA-O 3.32Å; W178-K228 WeakPolarHBondContact CA-O 3.42Å; W178-K228 HydrophobicContact CD2-CB 3.46Å; W178-K228 VanDerWaalsContact CD2-CB 3.46Å; W178-K228 HydrophobicContact CD2-CD 4.23Å; W178-K228 HydrophobicContact CD2-CG 4.48Å; W178-K228 VanDerWaalsContact CE2-CD 3.47Å; W178-K228 HydrophobicContact CE3-CB 3.51Å; W178-K228 HydrophobicContact CG-CB 4.08Å; W178-K228 HydrophobicContact CH2-CB 3.9Å; W178-K228 HydrophobicContact CH2-CD 3.97Å; W178-K228 HydrophobicContact CZ2-CB 3.86Å; W178-K228 HydrophobicContact CZ2-CD 3.33Å; W178-K228 HydrophobicContact CZ2-CG 4.23Å; W178-K228 HydrophobicContact CZ3-CB 3.73Å; W178-A254 HydrophobicContact CB-CB 3.96Å; W178-A254 PolarHBondContact N-O 2.65Å; W178-A254 PolarHBondContact O-N 3.06Å
179	L	96.7	Very high	77.8	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.6	163.8	-168.5	63.6	0	0	0	107.9	W215 L218 K228 M229 G230 L251 L253 W296 I297	L179-W215 HydrophobicContact CD2-CZ3 4.23Å; L179-W215 HydrophobicContact CG-CZ3 4.18Å; L179-L218 HydrophobicContact CD2-CB 4.05Å; L179-L218 HydrophobicContact CD2-CD1 4.25Å; L179-K228 PolarHBondContact N-O 3.07Å; L179-M229 HydrophobicContact CB-CE 4.44Å; L179-M229 HydrophobicContact CB-SD 3.84Å; L179-M229 HydrophobicContact CD2-SD 4.24Å; L179-G230 PolarHBondContact O-N 2.9Å; L179-L251 HydrophobicContact CD1-CD1 3.87Å; L179-L251 HydrophobicContact CD1-CD2 3.93Å; L179-L251 HydrophobicContact CD1-CG 3.8Å; L179-L251 HydrophobicContact CD2-CD1 4.41Å; L179-L251 HydrophobicContact CG-CD1 3.88Å; L179-L251 HydrophobicContact CG-CG 4.38Å; L179-L253 HydrophobicContact CD1-CD1 4.38Å; L179-W296 HydrophobicContact CD1-CZ3 4.26Å; L179-I297 HydrophobicContact CD1-CD1 4.28Å
180	L	96.4	Very high	74.9	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	112.8	-172.7	-57.6	173.3	0	0	0	109.7	F160 F166 W178 G230 L251 I252 A254	F160-L180 HydrophobicContact CD2-CD2 4.3Å; F160-L180 HydrophobicContact CE2-CD2 3.85Å; F166-L180 HydrophobicContact CE2-CD1 3.9Å; W178-L180 HydrophobicContact CB-CD2 4.15Å; W178-L180 HydrophobicContact CB-CG 4.21Å; W178-L180 HydrophobicContact CE3-CD2 3.99Å; L180-G230 CarbonylContact C-O 3.55Å; L180-G230 VanDerWaalsContact CA-O 3.27Å; L180-G230 WeakPolarHBondContact CA-O 3.05Å; L180-L251 CarbonylContact O-C 3.51Å; L180-L251 WeakPolarHBondContact O-CA 3.13Å; L180-I252 HydrophobicContact CB-CB 4.22Å; L180-I252 PolarHBondContact N-O 3.43Å; L180-I252 PolarHBondContact O-N 3.38Å; L180-A254 HydrophobicContact CD1-CB 3.92Å
181	A	95.3	Very high	72.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	129.2	168.8	0	0	0	0	0	110	Y133 A183 W215 G230 L231 L232 D250 L251	Y133-A181 HydrophobicContact CE2-CB 3.99Å; A181-A183 PolarHBondContact O-N 3.06Å; A181-W215 HydrophobicContact CB-CD2 4.15Å; A181-W215 HydrophobicContact CB-CE3 3.65Å; A181-W215 HydrophobicContact CB-CH2 4.02Å; A181-W215 HydrophobicContact CB-CZ2 4.47Å; A181-W215 HydrophobicContact CB-CZ3 3.59Å; A181-G230 PolarHBondContact N-O 3.1Å; A181-L231 HydrophobicContact CB-CD2 3.83Å; A181-L232 PolarHBondContact O-N 2.79Å; A181-D250 WeakPolarHBondContact CA-O 3.46Å; A181-L251 HydrophobicContact CB-CD1 4.28Å
182	V	91.7	Very high	69.5	Low	3 Å²	3	64.4 Å²	64.4	2%	0.018	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	102.1	179.5	-179	0	0	0	0	108.7	L232 C234 F246 P249 D250 I252	V182-L232 HydrophobicContact CG2-CD2 4.47Å; V182-C234 HydrophobicContact CG1-CB 4.5Å; V182-C234 VanDerWaalsContact CG1-SG 3.59Å; V182-F246 VanDerWaalsContact CG1-O 3.26Å; V182-F246 WeakPolarHBondContact CG1-O 3.37Å; V182-P249 VanDerWaalsContact CB-O 3.23Å; V182-P249 WeakPolarHBondContact CB-O 3.26Å; V182-P249 HydrophobicContact CG2-CG 4.48Å; V182-P249 WeakPolarHBondContact CG2-O 3.39Å; V182-D250 PolarHBondContact N-O 3.36Å; V182-I252 HydrophobicContact CG2-CD1 3.42Å; V182-I252 VanDerWaalsContact CG2-CD1 3.42Å; V182-I252 HydrophobicContact CG2-CG1 4.06Å
183	A	85	Confident	67	Low	1 Å²	1	63.5 Å²	63.5	1%	0.008	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	113.6	176.9	0	0	0	0	0	109.8	L136 V137 A181 L232 C234	L136-A183 HydrophobicContact CD2-CB 3.02Å; L136-A183 HydrophobicContact CG-CB 4.49Å; V137-A183 HydrophobicContact CG2-CB 4.02Å; A181-A183 PolarHBondContact O-N 3.06Å; A183-L232 PolarHBondContact N-O 2.96Å; A183-L232 VanDerWaalsContact O-O 3.11Å; A183-C234 PolarHBondContact O-N 2.9Å; A183-C234 VanDerWaalsContact O-N 3.1Å
184	S	73.8	Confident	64.8	Low	46 Å²	46	63.3 Å²	63.3	32%	0.322	40%	0.396	S	S	.	.			trans	-110.1	103.3	170.3	-174.6	0	0	0	0	106.5	Q186 K205	S184-Q186 PolarHBondContact O-N 3.07Å; S184-K205 VanDerWaalsContact CB-NZ 3.35Å
185	P	62.8	Low	62.5	Low	36 Å²	36	66.7 Å²	66.7	23%	0.234	42%	0.418	C	S	.	.			trans	-49.8	130.4	167.4	-18.1	28.8	0	0	0	106.8	S187	P185-S187 PolarHBondContact O-N 2.92Å
186	Q	55.5	Low	60.5	Low	179 Å²	179	69.8 Å²	69.8	84%	0.836	43%	0.429	S	S	*	.			trans	-48.8	120.1	175.2	-69.9	-179.2	-3.9	0	0	106.5	S184 L188	S184-Q186 PolarHBondContact O-N 3.07Å; Q186-L188 PolarHBondContact O-N 3.04Å
187	S	43.5	Very low	58.1	Low	107 Å²	107	75.7 Å²	75.7	75%	0.748	47%	0.465	S	S	*	.			trans	-44.4	116.3	178.8	51	0	0	0	0	106.9	P185 S189	P185-S187 PolarHBondContact O-N 2.92Å; S187-S189 PolarHBondContact O-N 2.95Å
188	L	36.9	Very low	55.4	Low	151 Å²	151	80.4 Å²	80.4	79%	0.791	50%	0.499	S	S	*	.			trans	-33.7	106.1	168.3	-78	149.9	0	0	0	106.6	F140 Q186 S190	F140-L188 HydrophobicContact CZ-CD2 4.5Å; Q186-L188 PolarHBondContact O-N 3.04Å; L188-S190 PolarHBondContact O-N 3.49Å
189	S	31.4	Very low	52.5	Low	88 Å²	88	87.5 Å²	87.5	62%	0.615	54%	0.542	S	S	*	.			trans	-53.6	126.7	176.9	67.7	0	0	0	0	104.7	S187 S191	S187-S189 PolarHBondContact O-N 2.95Å; S189-S191 WeakPolarHBondContact O-CB 3.19Å; S189-S191 PolarHBondContact O-N 2.83Å; S189-S191 PolarHBondContact O-OG 3.48Å; S189-S191 PolarHBondContact OG-OG 3.47Å
190	S	31.5	Very low	49.3	Very low	125 Å²	125	93.3 Å²	93.3	87%	0.874	58%	0.578	S	S	*	*			trans	-40.8	90.1	172.1	49.5	0	0	0	0	110.7	L188	L188-S190 PolarHBondContact O-N 3.49Å
191	S	32.9	Very low	46.4	Very low	90 Å²	90	99.3 Å²	99.3	63%	0.629	62%	0.617	S	S	*	*			trans	-133.3	59.3	179.4	-61.8	0	0	0	0	106.5	S189	S189-S191 WeakPolarHBondContact O-CB 3.19Å; S189-S191 PolarHBondContact O-N 2.83Å; S189-S191 PolarHBondContact O-OG 3.48Å; S189-S191 PolarHBondContact OG-OG 3.47Å
192	I	33.6	Very low	43.5	Very low	166 Å²	166	104.2 Å²	104.2	85%	0.851	65%	0.651	S	S	*	*	S	Bend	trans	-158.7	119.4	151.5	-84	129.1	0	0	0	106.7
193	A	33.2	Very low	41	Very low	93 Å²	93	114.5 Å²	114.5	77%	0.769	69%	0.69	S	S	*	*			trans	65.2	103.1	157.6	0	0	0	0	0	118.8
194	G	33.3	Very low	38.8	Very low	74 Å²	74	121.4 Å²	121.4	76%	0.763	73%	0.725	S	S	*	*				71.3	106.3	112.7	0	0	0	0	0	117.9
195	D	31.1	Very low	37.5	Very low	140 Å²	140	123.2 Å²	123.2	75%	0.749	73%	0.727	S	S	*	*			trans	84.7	132	139.8	-106.7	-21.5	0	0	0	121.7
196	H	34.8	Very low	37.1	Very low	142 Å²	142	129.1 Å²	129.1	66%	0.657	75%	0.751	S	S	*	*			trans	71.6	89.4	159.7	-52.2	-41.3	0	0	0	120.1
197	T	35	Very low	37.5	Very low	138 Å²	138	125.5 Å²	125.5	85%	0.847	75%	0.746	S	S	*	*				46.6	79	125.7	60.4	0	0	0	0	117
198	S	34.4	Very low	39.2	Very low	107 Å²	107	122.4 Å²	122.4	75%	0.748	72%	0.724	S	S	*	*			trans	-145.5	94.5	145.4	56.1	0	0	0	0	109.7	T200	S198-T200 PolarHBondContact O-N 3.47Å
199	T	32.6	Very low	41.3	Very low	152 Å²	152	116.4 Å²	116.4	93%	0.933	69%	0.693	S	S	*	*			trans	-66	92.7	170	29.5	0	0	0	0	109.5
200	T	31	Very low	44	Very low	121 Å²	121	112.3 Å²	112.3	74%	0.742	67%	0.665	S	S	*	*			trans	-112.3	127.9	149	45.8	0	0	0	0	107.4	S198 S202	S198-T200 PolarHBondContact O-N 3.47Å; T200-S202 PolarHBondContact O-N 3.01Å; T200-S202 VanDerWaalsContact O-N 3.08Å
201	P	35.7	Very low	46.7	Very low	126 Å²	126	108.9 Å²	108.9	82%	0.818	64%	0.639	S	S	*	*			trans	-70.1	113.5	-172.6	27.8	-31.6	0	0	0	108.2	R203	P201-R203 PolarHBondContact O-N 3.42Å
202	S	34.7	Very low	49.4	Very low	104 Å²	104	108 Å²	108	73%	0.727	63%	0.625	S	S	*	*			trans	-51	113.5	168.9	44.7	0	0	0	0	108.3	T200 I204	T200-S202 PolarHBondContact O-N 3.01Å; T200-S202 VanDerWaalsContact O-N 3.08Å; S202-I204 VanDerWaalsContact C-N 3.3Å; S202-I204 PolarHBondContact O-N 2.92Å
203	R	39.3	Very low	52	Low	219 Å²	219	103.9 Å²	103.9	83%	0.826	60%	0.602	S	S	*	*			trans	-64.4	92.5	176.3	-175.6	-175	-115	171.8	-1.8	107.4	P201 K205	P201-R203 PolarHBondContact O-N 3.42Å; R203-K205 PolarHBondContact O-N 3.14Å
204	I	37.2	Very low	54.8	Low	145 Å²	145	99.5 Å²	99.5	74%	0.744	57%	0.566	S	S	*	*			trans	-54.5	109.7	173.1	-60.6	170.9	0	0	0	106.4	S202 H206	S202-I204 VanDerWaalsContact C-N 3.3Å; S202-I204 PolarHBondContact O-N 2.92Å; I204-H206 PolarHBondContact O-N 3.33Å
205	K	48.1	Very low	57.8	Low	84 Å²	84	96 Å²	96	37%	0.365	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-67.5	117.8	175.6	-164.7	177.3	-172.6	177.8	0	106.6	S184 R203 I247	S184-K205 VanDerWaalsContact CB-NZ 3.35Å; R203-K205 PolarHBondContact O-N 3.14Å; K205-I247 VanDerWaalsContact CE-O 3.3Å; K205-I247 WeakPolarHBondContact CE-O 3.13Å; K205-I247 PolarHBondContact NZ-O 3.39Å
206	H	53.1	Low	60.7	Low	161 Å²	161	89.5 Å²	89.5	75%	0.745	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-52.4	141.8	171.4	-68.2	-86	0	0	0	109.4	I204 S208	I204-H206 PolarHBondContact O-N 3.33Å; H206-S208 PolarHBondContact O-N 3.45Å
207	S	64.8	Low	63.5	Low	102 Å²	102	83.3 Å²	83.3	71%	0.713	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-48.5	130.6	177.1	46.9	0	0	0	0	110.2	V209	S207-V209 PolarHBondContact O-N 2.92Å
208	S	78.7	Confident	66.3	Low	42 Å²	42	76.8 Å²	76.8	29%	0.294	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-53	134.6	176.9	-180	0	0	0	0	110	H206 V210	H206-S208 PolarHBondContact O-N 3.45Å; S208-V210 PolarHBondContact O-N 3.02Å; S208-V210 PolarHBondContact OG-N 3.41Å; S208-V210 PolarHBondContact OG-O 2.84Å
209	V	81.7	Confident	69.2	Low	25 Å²	25	71.7 Å²	71.7	15%	0.152	39%	0.391	C	S	.	.	S	Bend	trans	-64.4	-24.8	172.3	176.4	0	0	0	0	111	S207 I214 D250 I280 I281 I289	S207-V209 PolarHBondContact O-N 2.92Å; V209-I214 VanDerWaalsContact O-CD1 3.31Å; V209-I214 WeakPolarHBondContact O-CD1 3.44Å; V209-D250 PolarHBondContact N-OD2 3.29Å; V209-D250 VanDerWaalsContact N-OD2 3.08Å; V209-I280 HydrophobicContact CG1-CG2 4.26Å; V209-I281 HydrophobicContact CG2-CD1 4.27Å; V209-I281 HydrophobicContact CG2-CG1 4.12Å; V209-I289 HydrophobicContact CG1-CD1 4.18Å; V209-I289 HydrophobicContact CG1-CG1 4.45Å; V209-I289 HydrophobicContact CG1-CG2 3.58Å
210	V	88.2	Confident	72	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.018	36%	0.355	C	S	.	.			trans	-87.8	111.4	178.3	-176.2	0	0	0	0	109.4	Y133 S208 I214 W215 D250 L251	Y133-V210 HydrophobicContact CE2-CG1 4.28Å; Y133-V210 PolarHBondContact OH-O 3.46Å; S208-V210 PolarHBondContact O-N 3.02Å; S208-V210 PolarHBondContact OG-N 3.41Å; S208-V210 PolarHBondContact OG-O 2.84Å; V210-I214 HydrophobicContact CG1-CG2 4.35Å; V210-W215 HydrophobicContact CG1-CB 4.01Å; V210-W215 HydrophobicContact CG1-CE3 4.38Å; V210-D250 HydrophobicContact CG2-CB 4.22Å; V210-L251 HydrophobicContact CG2-CB 4.29Å; V210-L251 HydrophobicContact CG2-CD1 4.46Å
211	T	88.2	Confident	74.8	Confident	53 Å²	53	64 Å²	64	33%	0.325	33%	0.332	S	S	.	.			trans	-91.1	169.9	169.6	64.6	0	0	0	0	111.1	Q213 I214 W215	T211-Q213 PolarHBondContact O-N 2.87Å; T211-I214 HydrophobicContact CG2-CD1 4.33Å; T211-I214 PolarHBondContact O-N 2.99Å; T211-I214 WeakPolarHBondContact OG1-CG1 3.33Å; T211-I214 PolarHBondContact OG1-N 3.13Å; T211-W215 WeakPolarHBondContact O-CB 3.36Å; T211-W215 PolarHBondContact O-N 3.46Å
212	E	89	Confident	77.4	Confident	72 Å²	72	58 Å²	58	34%	0.336	29%	0.293	S	S	.	.	H	α-helix	trans	-57.4	-36.8	174.6	58.2	-92.2	-145.6	0	0	113.1	A130 Y133 R134 S216	A130-E212 HydrophobicContact CB-CB 4.05Å; A130-E212 WeakPolarHBondContact CB-O 3.48Å; Y133-E212 HydrophobicContact CD1-CB 3.97Å; R134-E212 HydrophobicContact CB-CB 4.41Å; E212-S216 PolarHBondContact O-N 2.94Å; E212-S216 VanDerWaalsContact O-N 3.1Å; E212-S216 PolarHBondContact O-OG 2.66Å
213	Q	89.2	Confident	80	Confident	79 Å²	79	56.9 Å²	56.9	37%	0.369	28%	0.276	S	S	.	.	H	α-helix	trans	-72.9	-41	178.5	-172.3	-175.3	-0.1	0	0	111.6	F124 T211 W215 S216 V217	F124-Q213 HydrophobicContact CB-CG 3.98Å; T211-Q213 PolarHBondContact O-N 2.87Å; Q213-W215 VanDerWaalsContact C-N 3.33Å; Q213-S216 PolarHBondContact O-N 2.88Å; Q213-S216 PolarHBondContact O-OG 2.84Å; Q213-V217 WeakPolarHBondContact O-CG2 3.34Å; Q213-V217 PolarHBondContact O-N 2.83Å; Q213-V217 VanDerWaalsContact O-N 3.14Å
214	I	92.1	Very high	82.1	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-63.5	-45	176.2	-70.3	167.5	0	0	0	109.4	V209 V210 T211 S216 V217 L218 I289 L290 I293	V209-I214 VanDerWaalsContact O-CD1 3.31Å; V209-I214 WeakPolarHBondContact O-CD1 3.44Å; V210-I214 HydrophobicContact CG1-CG2 4.35Å; T211-I214 HydrophobicContact CG2-CD1 4.33Å; T211-I214 PolarHBondContact O-N 2.99Å; T211-I214 WeakPolarHBondContact OG1-CG1 3.33Å; T211-I214 PolarHBondContact OG1-N 3.13Å; I214-S216 VanDerWaalsContact C-N 3.35Å; I214-S216 PolarHBondContact O-N 3Å; I214-V217 PolarHBondContact O-N 3.24Å; I214-L218 HydrophobicContact CG2-CD1 3.96Å; I214-L218 HydrophobicContact CG2-CG 4.36Å; I214-L218 VanDerWaalsContact O-CG 3.27Å; I214-L218 WeakPolarHBondContact O-CG 3.18Å; I214-L218 PolarHBondContact O-N 3.38Å; I214-I289 HydrophobicContact CD1-CB 4.3Å; I214-I289 HydrophobicContact CD1-CD1 3.91Å; I214-I289 HydrophobicContact CD1-CG2 4.03Å; I214-L290 HydrophobicContact CG2-CD2 4.07Å; I214-I293 HydrophobicContact CG2-CD1 4.21Å
215	W	94.6	Very high	84.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.1	-45.1	178.8	-177.4	-113	0	0	0	112.3	Y133 S157 L179 A181 V210 T211 Q213 V217 L218 C219 M229 L231 L251	Y133-W215 HydrophobicContact CD2-CB 4.15Å; Y133-W215 AromaticContact CD2-CG 3.95Å; Y133-W215 HydrophobicContact CD2-CG 3.95Å; Y133-W215 HydrophobicContact CG-CB 4.28Å; Y133-W215 HydrophobicContact CG-CG 4.35Å; S157-W215 WeakPolarHBondContact OG-CZ2 3.45Å; S157-W215 PolarHBondContact OG-NE1 2.83Å; L179-W215 HydrophobicContact CD2-CZ3 4.23Å; L179-W215 HydrophobicContact CG-CZ3 4.18Å; A181-W215 HydrophobicContact CB-CD2 4.15Å; A181-W215 HydrophobicContact CB-CE3 3.65Å; A181-W215 HydrophobicContact CB-CH2 4.02Å; A181-W215 HydrophobicContact CB-CZ2 4.47Å; A181-W215 HydrophobicContact CB-CZ3 3.59Å; V210-W215 HydrophobicContact CG1-CB 4.01Å; V210-W215 HydrophobicContact CG1-CE3 4.38Å; T211-W215 WeakPolarHBondContact O-CB 3.36Å; T211-W215 PolarHBondContact O-N 3.46Å; Q213-W215 VanDerWaalsContact C-N 3.33Å; W215-V217 PolarHBondContact O-N 2.71Å; W215-L218 HydrophobicContact CE3-CD1 4.34Å; W215-L218 PolarHBondContact O-N 3.1Å; W215-C219 PolarHBondContact NE1-SG 2.82Å; W215-C219 VanDerWaalsContact NE1-SG 3.43Å; W215-C219 PolarHBondContact O-N 2.78Å; W215-C219 PolarHBondContact O-SG 2.88Å; W215-C219 VanDerWaalsContact O-SG 3.34Å; W215-M229 HydrophobicContact CH2-CB 4.31Å; W215-M229 HydrophobicContact CH2-SD 4.36Å; W215-M229 HydrophobicContact CZ2-CB 3.96Å; W215-L231 HydrophobicContact CD2-CD2 4.07Å; W215-L231 VanDerWaalsContact CE2-CD2 3.42Å; W215-L231 HydrophobicContact CG-CD2 4.47Å; W215-L231 HydrophobicContact CH2-CD2 4.35Å; W215-L231 HydrophobicContact CZ2-CD2 3.57Å; W215-L231 HydrophobicContact CZ2-CG 4.29Å; W215-L251 HydrophobicContact CE3-CD1 4.46Å; W215-L251 HydrophobicContact CZ3-CD1 3.92Å
216	S	93.4	Very high	86.1	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-65.8	-37.1	179.5	58.4	0	0	0	0	113.5	F124 S127 E212 Q213 I214 C219 Y220	F124-S216 WeakPolarHBondContact CB-OG 3.5Å; F124-S216 WeakPolarHBondContact O-CB 3.44Å; F124-S216 PolarHBondContact O-OG 3.03Å; S127-S216 WeakPolarHBondContact OG-CB 3.36Å; E212-S216 PolarHBondContact O-N 2.94Å; E212-S216 VanDerWaalsContact O-N 3.1Å; E212-S216 PolarHBondContact O-OG 2.66Å; Q213-S216 PolarHBondContact O-N 2.88Å; Q213-S216 PolarHBondContact O-OG 2.84Å; I214-S216 VanDerWaalsContact C-N 3.35Å; I214-S216 PolarHBondContact O-N 3Å; S216-C219 PolarHBondContact O-N 3.48Å; S216-Y220 WeakPolarHBondContact O-CB 3.02Å; S216-Y220 PolarHBondContact O-N 3.46Å
217	V	93	Very high	88	Confident	12 Å²	12	36.5 Å²	36.5	7%	0.073	21%	0.212	C	C	.	.	H	α-helix	trans	-64.5	-41.4	173.6	174.8	0	0	0	0	111	F119 F124 Q213 I214 W215 Y220 R221 L290	F119-V217 HydrophobicContact CE2-CG1 4.12Å; F119-V217 HydrophobicContact CZ-CG1 4.12Å; F124-V217 HydrophobicContact CB-CG2 4.09Å; F124-V217 HydrophobicContact CD1-CB 4.46Å; F124-V217 HydrophobicContact CD1-CG2 3.66Å; F124-V217 HydrophobicContact CD2-CG2 3.88Å; F124-V217 HydrophobicContact CE1-CG2 4.07Å; F124-V217 HydrophobicContact CE2-CG2 4.24Å; F124-V217 HydrophobicContact CG-CG2 3.57Å; F124-V217 HydrophobicContact CZ-CG2 4.35Å; Q213-V217 WeakPolarHBondContact O-CG2 3.34Å; Q213-V217 PolarHBondContact O-N 2.83Å; Q213-V217 VanDerWaalsContact O-N 3.14Å; I214-V217 PolarHBondContact O-N 3.24Å; W215-V217 PolarHBondContact O-N 2.71Å; V217-Y220 PolarHBondContact O-N 2.85Å; V217-R221 WeakPolarHBondContact O-CB 3.35Å; V217-R221 PolarHBondContact O-N 3.26Å; V217-L290 HydrophobicContact CB-CD1 4.19Å; V217-L290 HydrophobicContact CB-CD2 4.09Å; V217-L290 HydrophobicContact CG1-CD1 3.7Å; V217-L290 HydrophobicContact CG1-CD2 3.8Å; V217-L290 HydrophobicContact CG1-CG 4.41Å; V217-L290 HydrophobicContact CG2-CD1 4.46Å
218	L	94.6	Very high	89.4	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-62.9	-45	176.1	-66.5	172.3	0	0	0	111.5	L179 I214 W215 Y220 R221 Y222 L251 L290 I293	L179-L218 HydrophobicContact CD2-CB 4.05Å; L179-L218 HydrophobicContact CD2-CD1 4.25Å; I214-L218 HydrophobicContact CG2-CD1 3.96Å; I214-L218 HydrophobicContact CG2-CG 4.36Å; I214-L218 VanDerWaalsContact O-CG 3.27Å; I214-L218 WeakPolarHBondContact O-CG 3.18Å; I214-L218 PolarHBondContact O-N 3.38Å; W215-L218 HydrophobicContact CE3-CD1 4.34Å; W215-L218 PolarHBondContact O-N 3.1Å; L218-Y220 PolarHBondContact O-N 3.12Å; L218-R221 PolarHBondContact O-N 3.4Å; L218-Y222 HydrophobicContact CB-CD2 4.42Å; L218-Y222 HydrophobicContact CD2-CD2 4.08Å; L218-Y222 HydrophobicContact CD2-CE2 3.66Å; L218-Y222 WeakPolarHBondContact O-CB 3.27Å; L218-Y222 WeakPolarHBondContact O-CD2 3.35Å; L218-Y222 PolarHBondContact O-N 3.13Å; L218-L251 HydrophobicContact CD1-CD2 4.3Å; L218-L290 HydrophobicContact CD2-CD2 3.82Å; L218-L290 HydrophobicContact CG-CD2 4.03Å; L218-I293 HydrophobicContact CD1-CD1 4.07Å; L218-I293 HydrophobicContact CD1-CG2 4.46Å; L218-I293 HydrophobicContact CD2-CB 4.47Å; L218-I293 HydrophobicContact CD2-CG2 3.76Å
219	C	94.4	Very high	90.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.1	-49.6	175.6	-69.3	0	0	0	0	111.5	D129 S157 W215 S216 R221 Q223 M229	D129-C219 HydrophobicContact CB-CB 4.3Å; S157-C219 PolarHBondContact OG-SG 2.76Å; S157-C219 VanDerWaalsContact OG-SG 3.34Å; W215-C219 PolarHBondContact NE1-SG 2.82Å; W215-C219 VanDerWaalsContact NE1-SG 3.43Å; W215-C219 PolarHBondContact O-N 2.78Å; W215-C219 PolarHBondContact O-SG 2.88Å; W215-C219 VanDerWaalsContact O-SG 3.34Å; S216-C219 PolarHBondContact O-N 3.48Å; C219-R221 PolarHBondContact O-N 3.03Å; C219-Q223 VanDerWaalsContact O-CB 3.26Å; C219-Q223 WeakPolarHBondContact O-CB 3.4Å; C219-Q223 VanDerWaalsContact O-CG 3.26Å; C219-Q223 WeakPolarHBondContact O-CG 3.38Å; C219-Q223 PolarHBondContact O-N 2.94Å; C219-Q223 VanDerWaalsContact O-N 3.16Å; C219-M229 HydrophobicContact CB-CG 4.23Å
220	Y	91.5	Very high	90.9	Very high	45 Å²	45	32.2 Å²	32.2	18%	0.176	17%	0.173	C	C	.	.	H	α-helix	trans	-59.6	-46.1	179.4	-177.4	-87	0	0	0	112.1	F119 F124 S216 V217 L218 Q223	F119-Y220 HydrophobicContact CB-CE1 4.35Å; F119-Y220 AromaticContact CD2-CD1 3.74Å; F119-Y220 HydrophobicContact CD2-CD1 3.74Å; F119-Y220 AromaticContact CD2-CE1 3.65Å; F119-Y220 HydrophobicContact CD2-CE1 3.65Å; F119-Y220 HydrophobicContact CE2-CD1 4.2Å; F119-Y220 HydrophobicContact CG-CE1 4.5Å; F124-Y220 HydrophobicContact CE1-CD1 4.48Å; F124-Y220 HydrophobicContact CE1-CD2 4.37Å; F124-Y220 AromaticContact CE1-CG 3.99Å; F124-Y220 HydrophobicContact CE1-CG 3.99Å; F124-Y220 HydrophobicContact CZ-CD1 4.47Å; F124-Y220 HydrophobicContact CZ-CG 4.37Å; S216-Y220 WeakPolarHBondContact O-CB 3.02Å; S216-Y220 PolarHBondContact O-N 3.46Å; V217-Y220 PolarHBondContact O-N 2.85Å; L218-Y220 PolarHBondContact O-N 3.12Å; Y220-Q223 WeakPolarHBondContact O-CG 3.3Å
221	R	88.9	Confident	91.3	Very high	66 Å²	66	32.1 Å²	32.1	25%	0.249	17%	0.172	C	C	.	.	H	α-helix	trans	-75.5	-38.6	-174.6	-170.8	168.9	-179.1	109.1	-4.4	113.3	D80 V217 L218 C219 S224 F225	D80-R221 IonicContact OD1-CZ 2.74Å; D80-R221 IonicContact OD1-NH1 2.83Å; D80-R221 PolarHBondContact OD1-NH1 3.43Å; D80-R221 IonicContact OD1-NH2 3.82Å; D80-R221 PolarHBondContact OD1-NH2 3.05Å; V217-R221 WeakPolarHBondContact O-CB 3.35Å; V217-R221 PolarHBondContact O-N 3.26Å; L218-R221 PolarHBondContact O-N 3.4Å; C219-R221 PolarHBondContact O-N 3.03Å; R221-S224 PolarHBondContact O-OG 2.84Å; R221-S224 VanDerWaalsContact O-OG 3.04Å; R221-F225 WeakPolarHBondContact O-CD2 3.3Å; R221-F225 VanDerWaalsContact O-CE2 3.31Å; R221-F225 WeakPolarHBondContact O-CE2 3.15Å
222	Y	91	Very high	91.5	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-94	-16.6	-171.6	-71.3	-80.5	0	0	0	114.6	L218 S224 F225 F227 H294 I297 L370	L218-Y222 HydrophobicContact CB-CD2 4.42Å; L218-Y222 HydrophobicContact CD2-CD2 4.08Å; L218-Y222 HydrophobicContact CD2-CE2 3.66Å; L218-Y222 WeakPolarHBondContact O-CB 3.27Å; L218-Y222 WeakPolarHBondContact O-CD2 3.35Å; L218-Y222 PolarHBondContact O-N 3.13Å; Y222-S224 VanDerWaalsContact C-N 3.27Å; Y222-S224 PolarHBondContact O-N 2.94Å; Y222-F225 HydrophobicContact CD1-CD2 4.47Å; Y222-F225 PolarHBondContact O-N 3.48Å; Y222-F227 HydrophobicContact CD1-CD1 4.37Å; Y222-F227 HydrophobicContact CD1-CD2 4.35Å; Y222-F227 HydrophobicContact CD1-CE1 4.13Å; Y222-F227 HydrophobicContact CD1-CE2 4.13Å; Y222-F227 HydrophobicContact CD1-CG 4.47Å; Y222-F227 AromaticContact CD1-CZ 4Å; Y222-F227 HydrophobicContact CD1-CZ 4Å; Y222-F227 WeakPolarHBondContact O-CB 3.5Å; Y222-F227 PolarHBondContact O-N 2.87Å; Y222-H294 AromaticContact CZ-ND1 3.72Å; Y222-H294 WeakPolarHBondContact OH-CA 3.2Å; Y222-H294 WeakPolarHBondContact OH-CB 3.47Å; Y222-H294 PolarHBondContact OH-ND1 3.49Å; Y222-I297 HydrophobicContact CD1-CD1 4.32Å; Y222-I297 HydrophobicContact CD2-CD1 4.42Å; Y222-I297 HydrophobicContact CE1-CB 4.42Å; Y222-I297 HydrophobicContact CE1-CD1 3.72Å; Y222-I297 HydrophobicContact CE1-CG2 3.95Å; Y222-I297 HydrophobicContact CE2-CD1 3.86Å; Y222-I297 VanDerWaalsContact CZ-CD1 3.46Å; Y222-L370 HydrophobicContact CD1-CD2 4.33Å; Y222-L370 HydrophobicContact CE1-CD2 3.9Å
223	Q	88.9	Confident	91.7	Very high	79 Å²	79	27 Å²	27	37%	0.369	15%	0.145	S	C	.	.	H	α-helix	trans	-62.1	-35.1	175.3	69	179.6	1.4	0	0	112.4	N156 C219 Y220 F225 G226	N156-Q223 VanDerWaalsContact CG-OE1 3.23Å; N156-Q223 PolarHBondContact ND2-OE1 3.34Å; C219-Q223 VanDerWaalsContact O-CB 3.26Å; C219-Q223 WeakPolarHBondContact O-CB 3.4Å; C219-Q223 VanDerWaalsContact O-CG 3.26Å; C219-Q223 WeakPolarHBondContact O-CG 3.38Å; C219-Q223 PolarHBondContact O-N 2.94Å; C219-Q223 VanDerWaalsContact O-N 3.16Å; Y220-Q223 WeakPolarHBondContact O-CG 3.3Å; Q223-F225 PolarHBondContact O-N 3.16Å; Q223-G226 WeakPolarHBondContact O-CA 2.98Å; Q223-G226 PolarHBondContact O-N 3.45Å
224	S	84.3	Confident	91.7	Very high	81 Å²	81	23.7 Å²	23.7	57%	0.566	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-27.1	179.1	55.8	0	0	0	0	111.8	R221 Y222 G226	R221-S224 PolarHBondContact O-OG 2.84Å; R221-S224 VanDerWaalsContact O-OG 3.04Å; Y222-S224 VanDerWaalsContact C-N 3.27Å; Y222-S224 PolarHBondContact O-N 2.94Å; S224-G226 VanDerWaalsContact C-N 3.26Å; S224-G226 PolarHBondContact O-N 3.05Å
225	F	83.3	Confident	91.3	Very high	36 Å²	36	26 Å²	26	16%	0.158	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	6.2	171.8	-58.6	-79.9	0	0	0	113.4	R221 Y222 Q223 F227 L370 V371	R221-F225 WeakPolarHBondContact O-CD2 3.3Å; R221-F225 VanDerWaalsContact O-CE2 3.31Å; R221-F225 WeakPolarHBondContact O-CE2 3.15Å; Y222-F225 HydrophobicContact CD1-CD2 4.47Å; Y222-F225 PolarHBondContact O-N 3.48Å; Q223-F225 PolarHBondContact O-N 3.16Å; F225-F227 HydrophobicContact CB-CD2 3.85Å; F225-F227 HydrophobicContact CB-CE2 3.88Å; F225-L370 HydrophobicContact CD1-CD2 4Å; F225-L370 HydrophobicContact CD1-CG 4.17Å; F225-L370 HydrophobicContact CD2-CD2 3.91Å; F225-L370 HydrophobicContact CE1-CD2 4.02Å; F225-L370 HydrophobicContact CE1-CG 4.35Å; F225-L370 HydrophobicContact CE2-CD2 3.92Å; F225-L370 HydrophobicContact CG-CD2 3.95Å; F225-L370 HydrophobicContact CG-CG 4.43Å; F225-L370 HydrophobicContact CZ-CD2 3.99Å; F225-V371 HydrophobicContact CD1-CG2 3.8Å; F225-V371 HydrophobicContact CE1-CG2 3.56Å
226	G	86.3	Confident	91	Very high	55 Å²	55	32.2 Å²	32.2	57%	0.567	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.4	16.1	176.7	0	0	0	0	0	115.1	Q223 S224	Q223-G226 WeakPolarHBondContact O-CA 2.98Å; Q223-G226 PolarHBondContact O-N 3.45Å; S224-G226 VanDerWaalsContact C-N 3.26Å; S224-G226 PolarHBondContact O-N 3.05Å
227	F	91.5	Very high	90.8	Very high	10 Å²	10	32.6 Å²	32.6	4%	0.044	18%	0.184	C	C	.	.			trans	-72.4	142.4	173.6	-72.8	-129	0	0	0	109.5	V177 Y222 F225 M229 L253 I297 L301 A374	V177-F227 HydrophobicContact CB-CD1 4.15Å; V177-F227 HydrophobicContact CB-CE1 4.4Å; V177-F227 HydrophobicContact CB-CG 4.27Å; V177-F227 HydrophobicContact CG1-CD1 3.49Å; V177-F227 VanDerWaalsContact CG1-CD1 3.49Å; V177-F227 HydrophobicContact CG1-CE1 3.49Å; V177-F227 VanDerWaalsContact CG1-CE1 3.49Å; V177-F227 HydrophobicContact CG1-CG 4.1Å; V177-F227 HydrophobicContact CG1-CZ 4.09Å; Y222-F227 HydrophobicContact CD1-CD1 4.37Å; Y222-F227 HydrophobicContact CD1-CD2 4.35Å; Y222-F227 HydrophobicContact CD1-CE1 4.13Å; Y222-F227 HydrophobicContact CD1-CE2 4.13Å; Y222-F227 HydrophobicContact CD1-CG 4.47Å; Y222-F227 AromaticContact CD1-CZ 4Å; Y222-F227 HydrophobicContact CD1-CZ 4Å; Y222-F227 WeakPolarHBondContact O-CB 3.5Å; Y222-F227 PolarHBondContact O-N 2.87Å; F225-F227 HydrophobicContact CB-CD2 3.85Å; F225-F227 HydrophobicContact CB-CE2 3.88Å; F227-M229 HydrophobicContact CB-CE 3.28Å; F227-M229 HydrophobicContact CG-CE 4.42Å; F227-M229 WeakPolarHBondContact O-CE 3.26Å; F227-L253 HydrophobicContact CD1-CD1 4.24Å; F227-L253 HydrophobicContact CE1-CD1 3.8Å; F227-I297 HydrophobicContact CE1-CG2 3.85Å; F227-I297 HydrophobicContact CZ-CG2 3.75Å; F227-L301 HydrophobicContact CE2-CD1 4.43Å; F227-L301 HydrophobicContact CZ-CD1 3.75Å; F227-A374 HydrophobicContact CE2-CB 4.29Å
228	K	94.5	Very high	90.6	Very high	73 Å²	73	37.7 Å²	37.7	32%	0.317	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	144.9	169.6	-64.7	-176.8	-178	166.2	0	109.9	D175 S176 V177 W178 L179	D175-K228 IonicContact OD1-NZ 3.14Å; S176-K228 WeakPolarHBondContact OG-CE 3.45Å; S176-K228 PolarHBondContact OG-NZ 3.31Å; V177-K228 PolarHBondContact O-N 3.14Å; W178-K228 CarbonylContact C-O 3.54Å; W178-K228 VanDerWaalsContact CA-O 3.32Å; W178-K228 WeakPolarHBondContact CA-O 3.42Å; W178-K228 HydrophobicContact CD2-CB 3.46Å; W178-K228 VanDerWaalsContact CD2-CB 3.46Å; W178-K228 HydrophobicContact CD2-CD 4.23Å; W178-K228 HydrophobicContact CD2-CG 4.48Å; W178-K228 VanDerWaalsContact CE2-CD 3.47Å; W178-K228 HydrophobicContact CE3-CB 3.51Å; W178-K228 HydrophobicContact CG-CB 4.08Å; W178-K228 HydrophobicContact CH2-CB 3.9Å; W178-K228 HydrophobicContact CH2-CD 3.97Å; W178-K228 HydrophobicContact CZ2-CB 3.86Å; W178-K228 HydrophobicContact CZ2-CD 3.33Å; W178-K228 HydrophobicContact CZ2-CG 4.23Å; W178-K228 HydrophobicContact CZ3-CB 3.73Å; L179-K228 PolarHBondContact N-O 3.07Å
229	M	96.3	Very high	90.3	Very high	6 Å²	6	41 Å²	41	3%	0.03	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.5	-174.1	-57.4	-57.6	146.3	0	0	110	S157 I158 L179 W215 C219 F227	S157-M229 WeakPolarHBondContact CA-O 3.39Å; I158-M229 PolarHBondContact N-O 3.35Å; L179-M229 HydrophobicContact CB-CE 4.44Å; L179-M229 HydrophobicContact CB-SD 3.84Å; L179-M229 HydrophobicContact CD2-SD 4.24Å; W215-M229 HydrophobicContact CH2-CB 4.31Å; W215-M229 HydrophobicContact CH2-SD 4.36Å; W215-M229 HydrophobicContact CZ2-CB 3.96Å; C219-M229 HydrophobicContact CB-CG 4.23Å; F227-M229 HydrophobicContact CB-CE 3.28Å; F227-M229 HydrophobicContact CG-CE 4.42Å; F227-M229 WeakPolarHBondContact O-CE 3.26Å
230	G	96	Very high	90.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	139.6	-178.9	0	0	0	0	0	113.1	I158 L179 L180 A181	I158-G230 CarbonylContact O-C 3.53Å; I158-G230 WeakPolarHBondContact O-CA 3.45Å; L179-G230 PolarHBondContact O-N 2.9Å; L180-G230 CarbonylContact C-O 3.55Å; L180-G230 VanDerWaalsContact CA-O 3.27Å; L180-G230 WeakPolarHBondContact CA-O 3.05Å; A181-G230 PolarHBondContact N-O 3.1Å
231	L	95.6	Very high	90.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	109.6	171.2	-61.7	-177.7	0	0	0	108.7	L132 Y133 L136 I158 V159 F160 A181 W215 N233	L132-L231 HydrophobicContact CD2-CD1 3.93Å; L132-L231 HydrophobicContact CG-CD1 3.86Å; Y133-L231 HydrophobicContact CD2-CD1 4.46Å; Y133-L231 HydrophobicContact CD2-CD2 3.64Å; Y133-L231 HydrophobicContact CE2-CD2 4.22Å; L136-L231 HydrophobicContact CD1-CB 4.47Å; I158-L231 PolarHBondContact O-N 3.31Å; V159-L231 HydrophobicContact CG2-CB 4.28Å; V159-L231 HydrophobicContact CG2-CD1 4.23Å; F160-L231 PolarHBondContact N-O 3.24Å; A181-L231 HydrophobicContact CB-CD2 3.83Å; W215-L231 HydrophobicContact CD2-CD2 4.07Å; W215-L231 VanDerWaalsContact CE2-CD2 3.42Å; W215-L231 HydrophobicContact CG-CD2 4.47Å; W215-L231 HydrophobicContact CH2-CD2 4.35Å; W215-L231 HydrophobicContact CZ2-CD2 3.57Å; W215-L231 HydrophobicContact CZ2-CG 4.29Å; L231-N233 PolarHBondContact O-N 2.82Å
232	L	94	Very high	90.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	107.1	-178.4	-173.7	72.8	0	0	0	110	F160 F166 A181 V182 A183 C234 L237 L240 F246	F160-L232 HydrophobicContact CB-CD1 4.15Å; F166-L232 HydrophobicContact CD2-CD1 3.98Å; F166-L232 HydrophobicContact CE2-CD1 4.23Å; A181-L232 PolarHBondContact O-N 2.79Å; V182-L232 HydrophobicContact CG2-CD2 4.47Å; A183-L232 PolarHBondContact N-O 2.96Å; A183-L232 VanDerWaalsContact O-O 3.11Å; L232-C234 PolarHBondContact O-N 3.33Å; L232-C234 VanDerWaalsContact O-N 3.1Å; L232-L237 HydrophobicContact CD1-CD1 3.68Å; L232-L240 HydrophobicContact CD1-CD2 4.39Å; L232-F246 HydrophobicContact CD2-CB 3.95Å; L232-F246 HydrophobicContact CD2-CD2 3.48Å; L232-F246 VanDerWaalsContact CD2-CD2 3.48Å; L232-F246 HydrophobicContact CD2-CE2 4.24Å; L232-F246 HydrophobicContact CD2-CG 4.03Å
233	N	91.5	Very high	90	Very high	18 Å²	18	45 Å²	45	10%	0.096	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	84.6	178.6	-172.8	-13.4	0	0	0	111.1	L136 F160 L231 G235 K236 L237	L136-N233 HydrophobicContact CD1-CB 4.44Å; L136-N233 HydrophobicContact CD2-CB 4.28Å; F160-N233 PolarHBondContact O-N 3.4Å; F160-N233 VanDerWaalsContact O-N 3.13Å; L231-N233 PolarHBondContact O-N 2.82Å; N233-G235 PolarHBondContact O-N 2.95Å; N233-G235 VanDerWaalsContact O-N 3.15Å; N233-G235 PolarHBondContact OD1-N 3.21Å; N233-G235 VanDerWaalsContact OD1-N 3.13Å; N233-K236 PolarHBondContact O-N 2.77Å; N233-K236 VanDerWaalsContact O-N 3.08Å; N233-K236 PolarHBondContact OD1-N 2.79Å; N233-L237 WeakPolarHBondContact O-CB 3.07Å; N233-L237 PolarHBondContact O-N 3.2Å
234	C	89.1	Confident	89.9	Confident	9 Å²	9	45.3 Å²	45.3	6%	0.061	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.3	178.8	-71.1	0	0	0	0	114.1	V182 A183 L232 K236 H238 C241	V182-C234 HydrophobicContact CG1-CB 4.5Å; V182-C234 VanDerWaalsContact CG1-SG 3.59Å; A183-C234 PolarHBondContact O-N 2.9Å; A183-C234 VanDerWaalsContact O-N 3.1Å; L232-C234 PolarHBondContact O-N 3.33Å; L232-C234 VanDerWaalsContact O-N 3.1Å; C234-K236 VanDerWaalsContact C-N 3.32Å; C234-H238 PolarHBondContact O-N 3.47Å; C234-C241 WeakPolarHBondContact CA-SG 3.47Å; C234-C241 HydrophobicContact CB-CB 3.78Å; C234-C241 WeakPolarHBondContact CB-SG 3.01Å; C234-C241 WeakPolarHBondContact SG-CB 3.17Å; C234-C241 CovalentContact SG-SG 2.04Å; C234-C241 PolarHBondContact SG-SG 3.37Å
235	G	85	Confident	90.1	Very high	51 Å²	51	43.7 Å²	43.7	53%	0.526	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-35.7	169.9	0	0	0	0	0	112.2	N233	N233-G235 PolarHBondContact O-N 2.95Å; N233-G235 VanDerWaalsContact O-N 3.15Å; N233-G235 PolarHBondContact OD1-N 3.21Å; N233-G235 VanDerWaalsContact OD1-N 3.13Å
236	K	87.9	Confident	90.4	Very high	129 Å²	129	42.3 Å²	42.3	56%	0.561	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-37.4	173.6	-71.8	178.5	171.3	-166.9	0	112.4	D161 N233 C234 H238	D161-K236 HydrophobicContact CB-CD 3.72Å; D161-K236 IonicContact OD2-NZ 2.79Å; D161-K236 PolarHBondContact OD2-NZ 3.38Å; N233-K236 PolarHBondContact O-N 2.77Å; N233-K236 VanDerWaalsContact O-N 3.08Å; N233-K236 PolarHBondContact OD1-N 2.79Å; C234-K236 VanDerWaalsContact C-N 3.32Å; K236-H238 VanDerWaalsContact C-N 3.31Å; K236-H238 PolarHBondContact O-N 2.72Å
237	L	90.2	Very high	90.1	Very high	12 Å²	12	43 Å²	43	6%	0.063	24%	0.237	C	C	.	.			trans	-93.7	43.3	-176.2	-61.6	178.5	0	0	0	113	F160 S162 E163 L232 N233 S239 L240 C241	F160-L237 HydrophobicContact CB-CD1 4.11Å; F160-L237 VanDerWaalsContact O-CD1 3.25Å; F160-L237 WeakPolarHBondContact O-CD1 3.42Å; S162-L237 VanDerWaalsContact C-CD2 3.45Å; E163-L237 HydrophobicContact CB-CD2 4.36Å; E163-L237 VanDerWaalsContact N-CD2 3.34Å; L232-L237 HydrophobicContact CD1-CD1 3.68Å; N233-L237 WeakPolarHBondContact O-CB 3.07Å; N233-L237 PolarHBondContact O-N 3.2Å; L237-S239 PolarHBondContact O-N 3.4Å; L237-L240 HydrophobicContact CB-CB 4.35Å; L237-L240 HydrophobicContact CB-CD2 4.4Å; L237-L240 HydrophobicContact CD1-CD2 4.13Å; L237-L240 PolarHBondContact O-N 3.47Å; L237-C241 WeakPolarHBondContact O-CB 3.4Å; L237-C241 PolarHBondContact O-N 2.87Å; L237-C241 PolarHBondContact O-SG 3.43Å
238	H	86.8	Confident	89.4	Confident	119 Å²	119	47.4 Å²	47.4	55%	0.551	26%	0.261	S	S	*	.	H	α-helix	trans	-59.1	-47.5	-170.2	-168.3	62.7	0	0	0	113.2	C234 K236 C241 I242	C234-H238 PolarHBondContact O-N 3.47Å; K236-H238 VanDerWaalsContact C-N 3.31Å; K236-H238 PolarHBondContact O-N 2.72Å; H238-C241 PolarHBondContact O-N 2.97Å; H238-I242 VanDerWaalsContact CD2-CD1 3.49Å; H238-I242 WeakPolarHBondContact CD2-CD1 3.2Å; H238-I242 VanDerWaalsContact NE2-CD1 3.3Å; H238-I242 WeakPolarHBondContact NE2-CD1 3.31Å; H238-I242 WeakPolarHBondContact O-CG1 3.31Å; H238-I242 PolarHBondContact O-N 2.99Å
239	S	89.5	Confident	89	Confident	72 Å²	72	44.4 Å²	44.4	50%	0.503	25%	0.249	S	C	.	.	H	α-helix	trans	-60.9	-54	178.6	-165	0	0	0	0	111.3	L237 C241 I242 D243	L237-S239 PolarHBondContact O-N 3.4Å; S239-C241 VanDerWaalsContact C-N 3.26Å; S239-C241 PolarHBondContact O-N 2.98Å; S239-I242 PolarHBondContact O-N 2.86Å; S239-D243 WeakPolarHBondContact O-CB 3.27Å; S239-D243 PolarHBondContact O-N 3.02Å; S239-D243 VanDerWaalsContact O-OD2 3.07Å; S239-D243 PolarHBondContact OG-OD2 2.95Å
240	L	90.9	Very high	88.6	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-54	-44.3	178.5	-178.1	75.1	0	0	0	111.5	E163 F166 L232 L237 D243 R244	E163-L240 HydrophobicContact CG-CD1 4.14Å; F166-L240 HydrophobicContact CB-CD2 4.21Å; F166-L240 HydrophobicContact CD1-CD1 4.21Å; F166-L240 HydrophobicContact CD1-CD2 3.64Å; F166-L240 HydrophobicContact CD1-CG 4.47Å; F166-L240 HydrophobicContact CE1-CD1 4.33Å; F166-L240 HydrophobicContact CE1-CD2 4.12Å; F166-L240 HydrophobicContact CG-CD2 3.87Å; L232-L240 HydrophobicContact CD1-CD2 4.39Å; L237-L240 HydrophobicContact CB-CB 4.35Å; L237-L240 HydrophobicContact CB-CD2 4.4Å; L237-L240 HydrophobicContact CD1-CD2 4.13Å; L237-L240 PolarHBondContact O-N 3.47Å; L240-D243 PolarHBondContact O-N 2.75Å; L240-R244 HydrophobicContact CD1-CG 4.16Å; L240-R244 WeakPolarHBondContact O-CB 3.2Å; L240-R244 WeakPolarHBondContact O-CG 3.21Å; L240-R244 PolarHBondContact O-N 2.96Å
241	C	91	Very high	88.5	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.007	25%	0.248	C	C	.	.	H	α-helix	trans	-68.2	-34.5	179.3	-66.7	0	0	0	0	113.2	C234 L237 H238 S239 G245 F246 I247	C234-C241 WeakPolarHBondContact CA-SG 3.47Å; C234-C241 HydrophobicContact CB-CB 3.78Å; C234-C241 WeakPolarHBondContact CB-SG 3.01Å; C234-C241 WeakPolarHBondContact SG-CB 3.17Å; C234-C241 CovalentContact SG-SG 2.04Å; C234-C241 PolarHBondContact SG-SG 3.37Å; L237-C241 WeakPolarHBondContact O-CB 3.4Å; L237-C241 PolarHBondContact O-N 2.87Å; L237-C241 PolarHBondContact O-SG 3.43Å; H238-C241 PolarHBondContact O-N 2.97Å; S239-C241 VanDerWaalsContact C-N 3.26Å; S239-C241 PolarHBondContact O-N 2.98Å; C241-G245 CarbonylContact O-C 3.55Å; C241-G245 PolarHBondContact O-N 3.41Å; C241-G245 VanDerWaalsContact O-N 3.14Å; C241-F246 HydrophobicContact CB-CB 4.08Å; C241-F246 PolarHBondContact O-N 2.96Å; C241-I247 HydrophobicContact CB-CG1 4.37Å
242	I	88.1	Confident	88.5	Confident	81 Å²	81	44.3 Å²	44.3	42%	0.415	25%	0.249	S	C	.	.	H	α-helix	trans	-66.5	-53.7	172.1	-71.1	161.2	0	0	0	110.2	H238 S239 R244 G245 I247	H238-I242 VanDerWaalsContact CD2-CD1 3.49Å; H238-I242 WeakPolarHBondContact CD2-CD1 3.2Å; H238-I242 VanDerWaalsContact NE2-CD1 3.3Å; H238-I242 WeakPolarHBondContact NE2-CD1 3.31Å; H238-I242 WeakPolarHBondContact O-CG1 3.31Å; H238-I242 PolarHBondContact O-N 2.99Å; S239-I242 PolarHBondContact O-N 2.86Å; I242-R244 PolarHBondContact O-N 3.45Å; I242-G245 PolarHBondContact O-N 3.2Å; I242-I247 HydrophobicContact CB-CD1 4.13Å; I242-I247 HydrophobicContact CG1-CD1 3.33Å; I242-I247 HydrophobicContact CG1-CG1 4.13Å
243	D	88.6	Confident	88.6	Confident	111 Å²	111	44.3 Å²	44.3	59%	0.594	25%	0.249	S	C	*	.	H	α-helix	trans	-61.3	-32	-172.5	-64.9	-31.3	0	0	0	112	S239 L240	S239-D243 WeakPolarHBondContact O-CB 3.27Å; S239-D243 PolarHBondContact O-N 3.02Å; S239-D243 VanDerWaalsContact O-OD2 3.07Å; S239-D243 PolarHBondContact OG-OD2 2.95Å; L240-D243 PolarHBondContact O-N 2.75Å
244	R	88.2	Confident	88.7	Confident	84 Å²	84	43.4 Å²	43.4	32%	0.317	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-3.8	178.9	-53.7	-58.2	-178.8	73.7	-3.8	114.4	E171 L240 I242 F246	E171-R244 VanDerWaalsContact CD-NH1 3.27Å; E171-R244 VanDerWaalsContact CD-NH2 3.34Å; E171-R244 IonicContact OE1-CZ 3.16Å; E171-R244 VanDerWaalsContact OE1-CZ 3.24Å; E171-R244 IonicContact OE1-NH1 2.85Å; E171-R244 PolarHBondContact OE1-NH1 2.95Å; E171-R244 IonicContact OE1-NH2 2.84Å; E171-R244 PolarHBondContact OE1-NH2 3Å; E171-R244 IonicContact OE2-CZ 2.78Å; E171-R244 IonicContact OE2-NH1 2.7Å; E171-R244 IonicContact OE2-NH2 2.63Å; E171-R244 PolarHBondContact OE2-NH2 3Å; L240-R244 HydrophobicContact CD1-CG 4.16Å; L240-R244 WeakPolarHBondContact O-CB 3.2Å; L240-R244 WeakPolarHBondContact O-CG 3.21Å; L240-R244 PolarHBondContact O-N 2.96Å; I242-R244 PolarHBondContact O-N 3.45Å; R244-F246 HydrophobicContact CB-CD1 3.91Å; R244-F246 HydrophobicContact CB-CD2 3.63Å; R244-F246 HydrophobicContact CB-CE1 3.65Å; R244-F246 HydrophobicContact CB-CE2 3.37Å; R244-F246 HydrophobicContact CB-CG 3.93Å; R244-F246 HydrophobicContact CB-CZ 3.39Å; R244-F246 HydrophobicContact CG-CD2 4.33Å; R244-F246 HydrophobicContact CG-CE2 3.8Å; R244-F246 HydrophobicContact CG-CZ 4.03Å; R244-F246 WeakPolarHBondContact O-CD1 3.38Å
245	G	87.6	Confident	88.8	Confident	48 Å²	48	43.1 Å²	43.1	50%	0.495	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	26.6	-179	0	0	0	0	0	114.6	C241 I242 I247 P249	C241-G245 CarbonylContact O-C 3.55Å; C241-G245 PolarHBondContact O-N 3.41Å; C241-G245 VanDerWaalsContact O-N 3.14Å; I242-G245 PolarHBondContact O-N 3.2Å; G245-I247 VanDerWaalsContact C-N 3.35Å; G245-P249 VanDerWaalsContact O-CD 3.32Å; G245-P249 WeakPolarHBondContact O-CD 3.25Å
246	F	89.5	Confident	88.7	Confident	6 Å²	6	40.7 Å²	40.7	3%	0.026	22%	0.217	C	C	.	.			trans	-83.6	-3	-178.9	-56.8	-26.2	0	0	0	114.3	F166 V182 L232 C241 R244 N248 P249 I252 F268	F166-F246 AromaticContact CZ-CE2 3.93Å; F166-F246 HydrophobicContact CZ-CE2 3.93Å; F166-F246 HydrophobicContact CZ-CZ 4.4Å; V182-F246 VanDerWaalsContact CG1-O 3.26Å; V182-F246 WeakPolarHBondContact CG1-O 3.37Å; L232-F246 HydrophobicContact CD2-CB 3.95Å; L232-F246 HydrophobicContact CD2-CD2 3.48Å; L232-F246 VanDerWaalsContact CD2-CD2 3.48Å; L232-F246 HydrophobicContact CD2-CE2 4.24Å; L232-F246 HydrophobicContact CD2-CG 4.03Å; C241-F246 HydrophobicContact CB-CB 4.08Å; C241-F246 PolarHBondContact O-N 2.96Å; R244-F246 HydrophobicContact CB-CD1 3.91Å; R244-F246 HydrophobicContact CB-CD2 3.63Å; R244-F246 HydrophobicContact CB-CE1 3.65Å; R244-F246 HydrophobicContact CB-CE2 3.37Å; R244-F246 HydrophobicContact CB-CG 3.93Å; R244-F246 HydrophobicContact CB-CZ 3.39Å; R244-F246 HydrophobicContact CG-CD2 4.33Å; R244-F246 HydrophobicContact CG-CE2 3.8Å; R244-F246 HydrophobicContact CG-CZ 4.03Å; R244-F246 WeakPolarHBondContact O-CD1 3.38Å; F246-N248 PolarHBondContact O-N 3.26Å; F246-P249 WeakPolarHBondContact O-CD 3.22Å; F246-I252 HydrophobicContact CB-CD1 3.83Å; F246-I252 HydrophobicContact CD1-CD1 3.24Å; F246-I252 HydrophobicContact CD1-CG1 4.26Å; F246-I252 HydrophobicContact CD2-CD1 4.26Å; F246-I252 HydrophobicContact CE1-CD1 3.75Å; F246-I252 HydrophobicContact CE1-CG2 4.36Å; F246-I252 HydrophobicContact CG-CD1 3.53Å; F246-I252 HydrophobicContact CZ-CD1 4.41Å; F246-F268 HydrophobicContact CE1-CB 3.98Å; F246-F268 HydrophobicContact CE1-CD1 4.05Å; F246-F268 AromaticContact CE1-CG 3.96Å; F246-F268 HydrophobicContact CE1-CG 3.96Å; F246-F268 HydrophobicContact CZ-CB 4.32Å; F246-F268 AromaticContact CZ-CD1 3.59Å; F246-F268 HydrophobicContact CZ-CD1 3.59Å; F246-F268 HydrophobicContact CZ-CD2 4.23Å; F246-F268 AromaticContact CZ-CE1 3.91Å; F246-F268 HydrophobicContact CZ-CE1 3.91Å; F246-F268 HydrophobicContact CZ-CE2 4.5Å; F246-F268 AromaticContact CZ-CG 3.78Å; F246-F268 HydrophobicContact CZ-CG 3.78Å; F246-F268 HydrophobicContact CZ-CZ 4.35Å
247	I	80.5	Confident	88.1	Confident	71 Å²	71	40.3 Å²	40.3	36%	0.364	22%	0.215	S	C	.	.	S	Bend	trans	-64.5	-39.5	-177.4	-49.5	173.1	0	0	0	112.5	K205 C241 I242 G245	K205-I247 VanDerWaalsContact CE-O 3.3Å; K205-I247 WeakPolarHBondContact CE-O 3.13Å; K205-I247 PolarHBondContact NZ-O 3.39Å; C241-I247 HydrophobicContact CB-CG1 4.37Å; I242-I247 HydrophobicContact CB-CD1 4.13Å; I242-I247 HydrophobicContact CG1-CD1 3.33Å; I242-I247 HydrophobicContact CG1-CG1 4.13Å; G245-I247 VanDerWaalsContact C-N 3.35Å
248	N	77.5	Confident	86.7	Confident	101 Å²	101	41.4 Å²	41.4	54%	0.54	23%	0.229	S	C	.	.	S	Bend	trans	-86.2	-43.1	-174.6	-68.1	-18.3	0	0	0	115.3	F246 K273	F246-N248 PolarHBondContact O-N 3.26Å; N248-K273 VanDerWaalsContact O-CE 3.29Å; N248-K273 WeakPolarHBondContact O-CE 3.3Å; N248-K273 PolarHBondContact O-NZ 2.81Å
249	P	85.3	Confident	85.4	Confident	10 Å²	10	38 Å²	38	7%	0.065	23%	0.227	C	C	.	.			trans	-67.1	148.5	179.3	26.9	-35.5	0	0	0	111.8	V182 G245 F246 I252 P270	V182-P249 VanDerWaalsContact CB-O 3.23Å; V182-P249 WeakPolarHBondContact CB-O 3.26Å; V182-P249 HydrophobicContact CG2-CG 4.48Å; V182-P249 WeakPolarHBondContact CG2-O 3.39Å; G245-P249 VanDerWaalsContact O-CD 3.32Å; G245-P249 WeakPolarHBondContact O-CD 3.25Å; F246-P249 WeakPolarHBondContact O-CD 3.22Å; P249-I252 HydrophobicContact CB-CG1 4.07Å; P249-I252 HydrophobicContact CG-CD1 4.01Å; P249-I252 HydrophobicContact CG-CG1 3.86Å; P249-P270 HydrophobicContact CB-CB 3.66Å; P249-P270 HydrophobicContact CG-CB 4.1Å
250	D	88.6	Confident	83.6	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.016	23%	0.234	C	C	.	.	S	Bend	trans	-91.4	-26.5	171.4	-61.3	-25.5	0	0	0	111.4	A181 V182 V209 V210 K273	A181-D250 WeakPolarHBondContact CA-O 3.46Å; V182-D250 PolarHBondContact N-O 3.36Å; V209-D250 PolarHBondContact N-OD2 3.29Å; V209-D250 VanDerWaalsContact N-OD2 3.08Å; V210-D250 HydrophobicContact CG2-CB 4.22Å; D250-K273 VanDerWaalsContact CG-CE 3.42Å; D250-K273 IonicContact OD1-NZ 3.04Å; D250-K273 PolarHBondContact OD1-NZ 3.02Å; D250-K273 WeakPolarHBondContact OD2-CE 3.22Å; D250-K273 IonicContact OD2-NZ 2.79Å; D250-K273 PolarHBondContact OD2-NZ 3.11Å
251	L	93.8	Very high	81.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	138.4	-177.2	-165.6	69.5	0	0	0	109.5	L179 L180 A181 V210 W215 L218 L271 I293 W296	L179-L251 HydrophobicContact CD1-CD1 3.87Å; L179-L251 HydrophobicContact CD1-CD2 3.93Å; L179-L251 HydrophobicContact CD1-CG 3.8Å; L179-L251 HydrophobicContact CD2-CD1 4.41Å; L179-L251 HydrophobicContact CG-CD1 3.88Å; L179-L251 HydrophobicContact CG-CG 4.38Å; L180-L251 CarbonylContact O-C 3.51Å; L180-L251 WeakPolarHBondContact O-CA 3.13Å; A181-L251 HydrophobicContact CB-CD1 4.28Å; V210-L251 HydrophobicContact CG2-CB 4.29Å; V210-L251 HydrophobicContact CG2-CD1 4.46Å; W215-L251 HydrophobicContact CE3-CD1 4.46Å; W215-L251 HydrophobicContact CZ3-CD1 3.92Å; L218-L251 HydrophobicContact CD1-CD2 4.3Å; L251-L271 HydrophobicContact CB-CB 3.98Å; L251-L271 HydrophobicContact CB-CD2 4.15Å; L251-L271 HydrophobicContact CD2-CD2 4.41Å; L251-L271 PolarHBondContact O-N 3.43Å; L251-I293 HydrophobicContact CD2-CD1 4.08Å; L251-I293 HydrophobicContact CD2-CG1 4.23Å; L251-I293 HydrophobicContact CD2-CG2 3.77Å; L251-W296 HydrophobicContact CD2-CZ3 3.9Å; L251-W296 HydrophobicContact CG-CZ3 4.3Å
252	I	95.2	Very high	80.1	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	132.6	180	-58.6	155.2	0	0	0	108.7	L180 V182 F246 P249 F268 R269	L180-I252 HydrophobicContact CB-CB 4.22Å; L180-I252 PolarHBondContact N-O 3.43Å; L180-I252 PolarHBondContact O-N 3.38Å; V182-I252 HydrophobicContact CG2-CD1 3.42Å; V182-I252 VanDerWaalsContact CG2-CD1 3.42Å; V182-I252 HydrophobicContact CG2-CG1 4.06Å; F246-I252 HydrophobicContact CB-CD1 3.83Å; F246-I252 HydrophobicContact CD1-CD1 3.24Å; F246-I252 HydrophobicContact CD1-CG1 4.26Å; F246-I252 HydrophobicContact CD2-CD1 4.26Å; F246-I252 HydrophobicContact CE1-CD1 3.75Å; F246-I252 HydrophobicContact CE1-CG2 4.36Å; F246-I252 HydrophobicContact CG-CD1 3.53Å; F246-I252 HydrophobicContact CZ-CD1 4.41Å; P249-I252 HydrophobicContact CB-CG1 4.07Å; P249-I252 HydrophobicContact CG-CD1 4.01Å; P249-I252 HydrophobicContact CG-CG1 3.86Å; I252-F268 HydrophobicContact CG2-CB 4.03Å; I252-F268 HydrophobicContact CG2-CD1 4.11Å; I252-R269 CarbonylContact C-O 3.54Å; I252-R269 WeakPolarHBondContact CA-O 3.37Å
253	L	95.3	Very high	78.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	112	170.2	-176.5	66.5	0	0	0	108.1	V177 L179 F227 L255 R269 W296 I297 V300	V177-L253 HydrophobicContact CG1-CD1 3.51Å; V177-L253 HydrophobicContact CG1-CG 4.45Å; L179-L253 HydrophobicContact CD1-CD1 4.38Å; F227-L253 HydrophobicContact CD1-CD1 4.24Å; F227-L253 HydrophobicContact CE1-CD1 3.8Å; L253-L255 HydrophobicContact CG-CD2 4.23Å; L253-R269 HydrophobicContact CB-CB 4.34Å; L253-R269 PolarHBondContact N-O 2.81Å; L253-R269 PolarHBondContact O-N 3.23Å; L253-W296 HydrophobicContact CB-CH2 3.4Å; L253-W296 HydrophobicContact CB-CZ2 3.76Å; L253-W296 HydrophobicContact CB-CZ3 4.15Å; L253-I297 HydrophobicContact CD2-CG1 4.5Å; L253-V300 HydrophobicContact CD2-CB 3.93Å; L253-V300 HydrophobicContact CD2-CG1 3.76Å; L253-V300 HydrophobicContact CD2-CG2 4.41Å
254	A	94.2	Very high	77.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	124.2	177.3	0	0	0	0	0	109.7	V170 W178 L180 V266 Q267 F268	V170-A254 HydrophobicContact CG1-CB 3.93Å; W178-A254 HydrophobicContact CB-CB 3.96Å; W178-A254 PolarHBondContact N-O 2.65Å; W178-A254 PolarHBondContact O-N 3.06Å; L180-A254 HydrophobicContact CD1-CB 3.92Å; A254-V266 HydrophobicContact CB-CG1 4.11Å; A254-Q267 WeakPolarHBondContact CA-O 3.45Å; A254-F268 HydrophobicContact CB-CD1 3.6Å; A254-F268 HydrophobicContact CB-CE1 3.63Å
255	L	90.4	Very high	77.4	Confident	2 Å²	2	51 Å²	51	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	144.3	-177.3	66.6	175.9	0	0	0	111.5	V177 L253 K257 Q267 R269 V300 L301	V177-L255 HydrophobicContact CG1-CB 4.39Å; V177-L255 HydrophobicContact CG2-CB 4.4Å; L253-L255 HydrophobicContact CG-CD2 4.23Å; L255-K257 PolarHBondContact O-N 3.47Å; L255-Q267 HydrophobicContact CD2-CB 4.43Å; L255-Q267 PolarHBondContact N-O 2.85Å; L255-Q267 PolarHBondContact O-N 3.09Å; L255-R269 HydrophobicContact CD2-CG 4.4Å; L255-V300 HydrophobicContact CD1-CG1 4.1Å; L255-V300 HydrophobicContact CD2-CG1 4.35Å; L255-L301 HydrophobicContact CD1-CD2 3.67Å
256	P	83.8	Confident	77.4	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	123.5	177.7	-21.5	29.9	0	0	0	110.5	K174 S176 G258 K263 R304 V377	K174-P256 VanDerWaalsContact C-CG 3.43Å; K174-P256 WeakPolarHBondContact O-CB 2.97Å; K174-P256 WeakPolarHBondContact O-CG 3.17Å; S176-P256 WeakPolarHBondContact O-CD 3.39Å; P256-G258 PolarHBondContact O-N 2.81Å; P256-G258 VanDerWaalsContact O-N 3.1Å; P256-K263 HydrophobicContact CB-CB 4.09Å; P256-K263 HydrophobicContact CB-CG 3.8Å; P256-K263 HydrophobicContact CG-CG 4.38Å; P256-R304 PolarHBondContact O-NH1 2.95Å; P256-R304 PolarHBondContact O-NH2 3.48Å; P256-V377 HydrophobicContact CG-CG1 3.97Å
257	K	75.1	Confident	77.4	Confident	120 Å²	120	52.1 Å²	52.1	52%	0.522	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-52.6	121	-176.4	-171.6	176.4	-179.6	177.4	0	110.5	L255 I265 Q267	L255-K257 PolarHBondContact O-N 3.47Å; K257-I265 WeakPolarHBondContact CB-O 3.13Å; K257-I265 PolarHBondContact N-O 3.17Å; K257-Q267 HydrophobicContact CB-CB 4.43Å
258	G	62	Low	78	Confident	35 Å²	35	51 Å²	51	36%	0.361	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-68.7	148.1	175.2	0	0	0	0	0	111.3	P256	P256-G258 PolarHBondContact O-N 2.81Å; P256-G258 VanDerWaalsContact O-N 3.1Å
259	G	58.4	Low	78.7	Confident	48 Å²	48	49 Å²	49	50%	0.495	25%	0.251	S	S	.	.	S	Bend	trans	163.2	-171.1	-178.4	0	0	0	0	0	113	R261	G259-R261 VanDerWaalsContact C-N 3.34Å
260	E	51.9	Low	79.1	Confident	141 Å²	141	52.1 Å²	52.1	66%	0.659	27%	0.27	S	S	*	.	S	Bend	trans	-76.3	-24.2	177.2	-61.2	-165.8	143.7	0	0	113.2	R384	E260-R384 IonicContact OE1-NH1 3.18Å
261	R	52.2	Low	79.1	Confident	99 Å²	99	53 Å²	53	37%	0.374	28%	0.275	S	S	.	.	S	Bend	trans	-92	145.6	177.3	-60.2	-170.3	-171.7	-178.7	12.5	109.2	G259 A556 M558	G259-R261 VanDerWaalsContact C-N 3.34Å; R261-A556 PolarHBondContact NH2-O 2.87Å; R261-A556 VanDerWaalsContact NH2-O 3.17Å; R261-M558 PolarHBondContact NH1-SD 3.09Å
262	M	56.8	Low	78.5	Confident	135 Å²	135	57 Å²	57	67%	0.665	30%	0.301	S	S	*	.			trans	-56	169.3	175.7	-70.9	178.6	-179.8	0	0	110.8	D264	M262-D264 WeakPolarHBondContact O-CB 3.36Å; M262-D264 PolarHBondContact O-N 3.39Å
263	K	60.4	Low	77.3	Confident	49 Å²	49	61.8 Å²	61.8	21%	0.213	32%	0.322	C	S	.	.	S	Bend	trans	-48.2	67.4	-177.4	-64.5	159.2	147.5	177	0	113.3	K174 D175 P256 V377 T378 T380	K174-K263 HydrophobicContact CB-CB 3.79Å; K174-K263 WeakPolarHBondContact CD-O 3.43Å; K174-K263 WeakPolarHBondContact O-CB 3.41Å; K174-K263 WeakPolarHBondContact O-CD 3.11Å; K174-K263 WeakPolarHBondContact O-CE 3.47Å; K174-K263 WeakPolarHBondContact O-CG 3.12Å; D175-K263 VanDerWaalsContact CA-NZ 3.28Å; D175-K263 PolarHBondContact O-NZ 2.81Å; P256-K263 HydrophobicContact CB-CB 4.09Å; P256-K263 HydrophobicContact CB-CG 3.8Å; P256-K263 HydrophobicContact CG-CG 4.38Å; K263-V377 WeakPolarHBondContact CE-O 3.41Å; K263-V377 PolarHBondContact NZ-O 2.91Å; K263-T378 PolarHBondContact NZ-O 3.45Å; K263-T380 WeakPolarHBondContact CE-OG1 3.39Å; K263-T380 WeakPolarHBondContact CG-OG1 3.26Å
264	D	67.9	Low	75.5	Confident	94 Å²	94	66 Å²	66	50%	0.503	34%	0.344	S	S	.	.			trans	-86.8	-32.5	-170.1	-74.2	-17.7	0	0	0	111.2	K174 M262	K174-D264 PolarHBondContact NZ-O 3.1Å; M262-D264 WeakPolarHBondContact O-CB 3.36Å; M262-D264 PolarHBondContact O-N 3.39Å
265	I	79.5	Confident	73.3	Confident	107 Å²	107	72 Å²	72	55%	0.549	38%	0.384	S	S	.	.	S	Bend	trans	-139	141.9	-174.2	-58	174.1	0	0	0	108.7	K257	K257-I265 WeakPolarHBondContact CB-O 3.13Å; K257-I265 PolarHBondContact N-O 3.17Å
266	V	88.4	Confident	71.2	Confident	17 Å²	17	81.2 Å²	81.2	10%	0.103	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	127.9	167.9	-178.9	0	0	0	0	108.9	V170 K174 A254 F268	V170-V266 HydrophobicContact CG1-CG1 4.3Å; V170-V266 WeakPolarHBondContact O-CG2 3.31Å; K174-V266 HydrophobicContact CG-CG2 4Å; A254-V266 HydrophobicContact CB-CG1 4.11Å; V266-F268 HydrophobicContact CB-CE2 4.34Å; V266-F268 HydrophobicContact CB-CZ 4.23Å; V266-F268 HydrophobicContact CG1-CE1 4.01Å; V266-F268 HydrophobicContact CG1-CE2 4.2Å; V266-F268 HydrophobicContact CG1-CZ 3.82Å
267	Q	88.6	Confident	69.2	Low	60 Å²	60	82.8 Å²	82.8	28%	0.28	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	134.8	172	-178	170.9	20.9	0	0	109.1	A254 L255 K257 R269	A254-Q267 WeakPolarHBondContact CA-O 3.45Å; L255-Q267 HydrophobicContact CD2-CB 4.43Å; L255-Q267 PolarHBondContact N-O 2.85Å; L255-Q267 PolarHBondContact O-N 3.09Å; K257-Q267 HydrophobicContact CB-CB 4.43Å; Q267-R269 HydrophobicContact CG-CG 4.33Å; Q267-R269 VanDerWaalsContact NE2-NH2 3.19Å
268	F	93.5	Very high	67.8	Low	48 Å²	48	80.9 Å²	80.9	21%	0.211	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	120.6	173.1	-59.3	-81.2	0	0	0	109.1	F166 V170 E171 F246 I252 A254 V266	F166-F268 HydrophobicContact CE1-CZ 4.38Å; F166-F268 AromaticContact CZ-CE1 3.81Å; F166-F268 HydrophobicContact CZ-CE1 3.81Å; F166-F268 HydrophobicContact CZ-CZ 4.01Å; V170-F268 HydrophobicContact CG1-CE1 4Å; V170-F268 HydrophobicContact CG1-CZ 4.34Å; E171-F268 HydrophobicContact CG-CZ 4.36Å; F246-F268 HydrophobicContact CE1-CB 3.98Å; F246-F268 HydrophobicContact CE1-CD1 4.05Å; F246-F268 AromaticContact CE1-CG 3.96Å; F246-F268 HydrophobicContact CE1-CG 3.96Å; F246-F268 HydrophobicContact CZ-CB 4.32Å; F246-F268 AromaticContact CZ-CD1 3.59Å; F246-F268 HydrophobicContact CZ-CD1 3.59Å; F246-F268 HydrophobicContact CZ-CD2 4.23Å; F246-F268 AromaticContact CZ-CE1 3.91Å; F246-F268 HydrophobicContact CZ-CE1 3.91Å; F246-F268 HydrophobicContact CZ-CE2 4.5Å; F246-F268 AromaticContact CZ-CG 3.78Å; F246-F268 HydrophobicContact CZ-CG 3.78Å; F246-F268 HydrophobicContact CZ-CZ 4.35Å; I252-F268 HydrophobicContact CG2-CB 4.03Å; I252-F268 HydrophobicContact CG2-CD1 4.11Å; A254-F268 HydrophobicContact CB-CD1 3.6Å; A254-F268 HydrophobicContact CB-CE1 3.63Å; V266-F268 HydrophobicContact CB-CE2 4.34Å; V266-F268 HydrophobicContact CB-CZ 4.23Å; V266-F268 HydrophobicContact CG1-CE1 4.01Å; V266-F268 HydrophobicContact CG1-CE2 4.2Å; V266-F268 HydrophobicContact CG1-CZ 3.82Å
269	R	92.4	Very high	67	Low	60 Å²	60	81.3 Å²	81.3	23%	0.226	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	110.5	175.6	-70.2	-74	-172.8	115.8	8	108	I252 L253 L255 Q267 W296 V300 E303	I252-R269 CarbonylContact C-O 3.54Å; I252-R269 WeakPolarHBondContact CA-O 3.37Å; L253-R269 HydrophobicContact CB-CB 4.34Å; L253-R269 PolarHBondContact N-O 2.81Å; L253-R269 PolarHBondContact O-N 3.23Å; L255-R269 HydrophobicContact CD2-CG 4.4Å; Q267-R269 HydrophobicContact CG-CG 4.33Å; Q267-R269 VanDerWaalsContact NE2-NH2 3.19Å; R269-W296 HydrophobicContact CB-CZ2 4.16Å; R269-W296 VanDerWaalsContact O-CZ2 3.24Å; R269-W296 WeakPolarHBondContact O-CZ2 3.2Å; R269-V300 HydrophobicContact CB-CG2 4.45Å; R269-V300 HydrophobicContact CG-CG1 3.91Å; R269-V300 HydrophobicContact CG-CG2 4.34Å; R269-E303 IonicContact CZ-OE1 3.5Å; R269-E303 IonicContact CZ-OE2 3.19Å; R269-E303 IonicContact NH1-OE1 2.92Å; R269-E303 PolarHBondContact NH1-OE1 3.06Å; R269-E303 IonicContact NH1-OE2 2.62Å; R269-E303 VanDerWaalsContact NH2-CD 3.31Å; R269-E303 IonicContact NH2-OE1 3.95Å; R269-E303 PolarHBondContact NH2-OE1 2.71Å; R269-E303 IonicContact NH2-OE2 2.79Å; R269-E303 PolarHBondContact NH2-OE2 3.27Å
270	P	92.5	Very high	66.5	Low	74 Å²	74	81.6 Å²	81.6	48%	0.481	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	145.3	171.5	28.7	-31.8	0	0	0	110.3	P249 P272	P249-P270 HydrophobicContact CB-CB 3.66Å; P249-P270 HydrophobicContact CG-CB 4.1Å; P270-P272 WeakPolarHBondContact O-CD 3.49Å
271	L	90	Very high	66.4	Low	21 Å²	21	79.9 Å²	79.9	11%	0.11	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-59.8	124.1	167.8	179.7	70.7	0	0	0	108.5	L251 K273 I293 W296	L251-L271 HydrophobicContact CB-CB 3.98Å; L251-L271 HydrophobicContact CB-CD2 4.15Å; L251-L271 HydrophobicContact CD2-CD2 4.41Å; L251-L271 PolarHBondContact O-N 3.43Å; L271-K273 PolarHBondContact O-N 2.99Å; L271-I293 HydrophobicContact CD1-CG1 4.24Å; L271-I293 HydrophobicContact CD2-CG1 4.13Å; L271-W296 HydrophobicContact CB-CH2 4.25Å; L271-W296 HydrophobicContact CB-CZ2 4.36Å; L271-W296 HydrophobicContact CB-CZ3 4.36Å; L271-W296 HydrophobicContact CD1-CB 4.1Å; L271-W296 HydrophobicContact CD1-CD2 3.59Å; L271-W296 HydrophobicContact CD1-CE3 3.55Å; L271-W296 HydrophobicContact CD1-CG 3.84Å; L271-W296 HydrophobicContact CD1-CZ3 4.15Å
272	P	81	Confident	66	Low	86 Å²	86	80.1 Å²	80.1	56%	0.558	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-59.3	123.7	178.4	-22.9	33	0	0	0	110.5	P270	P270-P272 WeakPolarHBondContact O-CD 3.49Å
273	K	69.8	Low	65.5	Low	101 Å²	101	78.2 Å²	78.2	44%	0.439	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-95.1	118.2	165.2	-66.2	-173.4	172.3	-172.4	0	106.6	N248 D250 L271 P275	N248-K273 VanDerWaalsContact O-CE 3.29Å; N248-K273 WeakPolarHBondContact O-CE 3.3Å; N248-K273 PolarHBondContact O-NZ 2.81Å; D250-K273 VanDerWaalsContact CG-CE 3.42Å; D250-K273 IonicContact OD1-NZ 3.04Å; D250-K273 PolarHBondContact OD1-NZ 3.02Å; D250-K273 WeakPolarHBondContact OD2-CE 3.22Å; D250-K273 IonicContact OD2-NZ 2.79Å; D250-K273 PolarHBondContact OD2-NZ 3.11Å; L271-K273 PolarHBondContact O-N 2.99Å; K273-P275 WeakPolarHBondContact O-CD 3.39Å
274	D	56.2	Low	65.3	Low	87 Å²	87	85 Å²	85	47%	0.465	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-68.6	121.8	175.7	-165.9	-30.4	0	0	0	108.7	K276 S277	D274-K276 PolarHBondContact O-N 2.76Å; D274-K276 PolarHBondContact OD1-N 2.92Å; D274-S277 WeakPolarHBondContact CB-OG 3.49Å; D274-S277 VanDerWaalsContact CG-N 3.31Å; D274-S277 PolarHBondContact OD1-N 3Å; D274-S277 WeakPolarHBondContact OD2-CB 3.41Å; D274-S277 PolarHBondContact OD2-OG 3.41Å
275	P	48.5	Very low	65.4	Low	127 Å²	127	84 Å²	84	83%	0.825	45%	0.445	S	S	*	.	S	Bend	trans	-72.1	-17.1	179.6	28.5	-34.4	0	0	0	113.1	K273	K273-P275 WeakPolarHBondContact O-CD 3.39Å
276	K	45.7	Very low	65.4	Low	196 Å²	196	80.6 Å²	80.6	85%	0.852	43%	0.431	S	S	*	.	S	Bend	trans	-116.5	-30.3	-175.6	-69.1	-173.5	178.5	-175.6	0	113.5	D274	D274-K276 PolarHBondContact O-N 2.76Å; D274-K276 PolarHBondContact OD1-N 2.92Å
277	S	42.6	Very low	65	Low	34 Å²	34	85.5 Å²	85.5	24%	0.238	46%	0.457	C	S	.	.			trans	-91.3	114.2	174.7	83.8	0	0	0	0	110.1	D274 S279	D274-S277 WeakPolarHBondContact CB-OG 3.49Å; D274-S277 VanDerWaalsContact CG-N 3.31Å; D274-S277 PolarHBondContact OD1-N 3Å; D274-S277 WeakPolarHBondContact OD2-CB 3.41Å; D274-S277 PolarHBondContact OD2-OG 3.41Å; S277-S279 VanDerWaalsContact CB-OG 3.26Å; S277-S279 WeakPolarHBondContact CB-OG 3.45Å; S277-S279 PolarHBondContact O-N 3.44Å; S277-S279 PolarHBondContact OG-OG 3.15Å
278	T	44.7	Very low	64.5	Low	79 Å²	79	87.6 Å²	87.6	49%	0.485	46%	0.463	S	S	.	.			trans	-64.1	4.9	151	39	0	0	0	0	111.2	I280 I281 D282	T278-I280 PolarHBondContact O-N 3.02Å; T278-I281 CarbonylContact O-C 3.59Å; T278-I281 VanDerWaalsContact O-CA 3.28Å; T278-I281 WeakPolarHBondContact O-CA 3.34Å; T278-I281 WeakPolarHBondContact O-CB 3.39Å; T278-I281 PolarHBondContact O-N 2.89Å; T278-D282 VanDerWaalsContact CB-OD1 3.3Å; T278-D282 WeakPolarHBondContact CB-OD1 3.44Å; T278-D282 WeakPolarHBondContact CB-OD2 3.22Å; T278-D282 WeakPolarHBondContact O-CB 3.4Å; T278-D282 VanDerWaalsContact O-CG 3.32Å; T278-D282 PolarHBondContact O-N 3.47Å; T278-D282 PolarHBondContact OG1-OD2 2.82Å
279	S	46	Very low	64	Low	45 Å²	45	86.3 Å²	86.3	32%	0.315	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-18.9	-165.9	67.7	0	0	0	0	116.6	S277 H283 Y288	S277-S279 VanDerWaalsContact CB-OG 3.26Å; S277-S279 WeakPolarHBondContact CB-OG 3.45Å; S277-S279 PolarHBondContact O-N 3.44Å; S277-S279 PolarHBondContact OG-OG 3.15Å; S279-H283 PolarHBondContact O-CD2 3.2Å; S279-H283 VanDerWaalsContact O-CD2 3.27Å; S279-Y288 VanDerWaalsContact O-CE1 3.3Å; S279-Y288 WeakPolarHBondContact O-CE1 3.4Å
280	I	48.8	Very low	63.8	Low	54 Å²	54	84.7 Å²	84.7	28%	0.277	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-25.4	166.1	-58.6	179.6	0	0	0	110.7	V209 T278 Y288 I289	V209-I280 HydrophobicContact CG1-CG2 4.26Å; T278-I280 PolarHBondContact O-N 3.02Å; I280-Y288 HydrophobicContact CG1-CE1 4.24Å; I280-I289 HydrophobicContact CG2-CB 4.4Å; I280-I289 HydrophobicContact CG2-CG1 3.89Å; I280-I289 HydrophobicContact CG2-CG2 4.34Å
281	I	48.8	Very low	63.3	Low	104 Å²	104	86.1 Å²	86.1	53%	0.533	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-23.8	-177.2	-53.9	178.6	0	0	0	111.9	V209 T278	V209-I281 HydrophobicContact CG2-CD1 4.27Å; V209-I281 HydrophobicContact CG2-CG1 4.12Å; T278-I281 CarbonylContact O-C 3.59Å; T278-I281 VanDerWaalsContact O-CA 3.28Å; T278-I281 WeakPolarHBondContact O-CA 3.34Å; T278-I281 WeakPolarHBondContact O-CB 3.39Å; T278-I281 PolarHBondContact O-N 2.89Å
282	D	44.7	Very low	62.9	Low	105 Å²	105	86.4 Å²	86.4	56%	0.561	46%	0.462	S	S	*	.	S	Bend	trans	-84	-17.6	-179.9	-72.4	-18	0	0	0	112.3	T278 E284	T278-D282 VanDerWaalsContact CB-OD1 3.3Å; T278-D282 WeakPolarHBondContact CB-OD1 3.44Å; T278-D282 WeakPolarHBondContact CB-OD2 3.22Å; T278-D282 WeakPolarHBondContact O-CB 3.4Å; T278-D282 VanDerWaalsContact O-CG 3.32Å; T278-D282 PolarHBondContact O-N 3.47Å; T278-D282 PolarHBondContact OG1-OD2 2.82Å; D282-E284 PolarHBondContact O-N 2.79Å
283	H	46.1	Very low	63.3	Low	94 Å²	94	82.5 Å²	82.5	44%	0.435	44%	0.436	S	S	.	.			trans	-88.5	94.9	168.9	-75.1	-59.5	0	0	0	108.4	S279 S285 Y288	S279-H283 PolarHBondContact O-CD2 3.2Å; S279-H283 VanDerWaalsContact O-CD2 3.27Å; H283-S285 PolarHBondContact O-N 2.79Å; H283-Y288 HydrophobicContact CB-CD1 3.67Å; H283-Y288 HydrophobicContact CB-CE1 4.34Å; H283-Y288 HydrophobicContact CB-CG 3.86Å; H283-Y288 AromaticContact CD2-CD1 3.79Å; H283-Y288 AromaticContact CD2-CE1 3.62Å; H283-Y288 AromaticContact CD2-CZ 3.74Å
284	E	55.1	Low	64.1	Low	192 Å²	192	78 Å²	78	90%	0.897	42%	0.417	S	S	*	.			trans	-54.7	-8.3	175.2	-69.6	-176.2	154.5	0	0	114.2	D282 S286	D282-E284 PolarHBondContact O-N 2.79Å; E284-S286 PolarHBondContact O-N 2.86Å
285	S	70	Confident	65.3	Low	73 Å²	73	77.4 Å²	77.4	51%	0.51	42%	0.416	S	S	.	.			trans	-84.2	111.3	-178.3	-57.8	0	0	0	0	111.3	H283 N287 Y288	H283-S285 PolarHBondContact O-N 2.79Å; S285-N287 PolarHBondContact O-N 2.76Å; S285-Y288 PolarHBondContact O-N 3.47Å
286	S	79.1	Confident	67.2	Low	35 Å²	35	72.5 Å²	72.5	25%	0.245	38%	0.381	C	S	.	.	H	α-helix	trans	-45.2	-32.5	171.7	-56.8	0	0	0	0	113.6	E284 I289 L290	E284-S286 PolarHBondContact O-N 2.86Å; S286-I289 PolarHBondContact O-N 2.68Å; S286-L290 VanDerWaalsContact O-CG 3.29Å; S286-L290 WeakPolarHBondContact O-CG 3.23Å; S286-L290 PolarHBondContact O-N 3.2Å
287	N	80	Confident	69.3	Low	121 Å²	121	63.1 Å²	63.1	65%	0.647	34%	0.341	S	S	*	.	H	α-helix	trans	-61.5	-42.3	177.1	-68.1	-12.2	0	0	0	113	S285 I289 L290 E291	S285-N287 PolarHBondContact O-N 2.76Å; N287-I289 VanDerWaalsContact C-N 3.32Å; N287-I289 PolarHBondContact O-N 2.95Å; N287-L290 PolarHBondContact O-N 3.41Å; N287-E291 WeakPolarHBondContact O-CG 3.49Å; N287-E291 PolarHBondContact O-N 3.5Å
288	Y	78.9	Confident	71.1	Confident	104 Å²	104	61.7 Å²	61.7	41%	0.408	33%	0.33	S	S	.	.	H	α-helix	trans	-64.8	-40.2	179.4	-176.6	-97.6	0	0	0	111.4	S279 I280 H283 S285 E291 G292	S279-Y288 VanDerWaalsContact O-CE1 3.3Å; S279-Y288 WeakPolarHBondContact O-CE1 3.4Å; I280-Y288 HydrophobicContact CG1-CE1 4.24Å; H283-Y288 HydrophobicContact CB-CD1 3.67Å; H283-Y288 HydrophobicContact CB-CE1 4.34Å; H283-Y288 HydrophobicContact CB-CG 3.86Å; H283-Y288 AromaticContact CD2-CD1 3.79Å; H283-Y288 AromaticContact CD2-CE1 3.62Å; H283-Y288 AromaticContact CD2-CZ 3.74Å; S285-Y288 PolarHBondContact O-N 3.47Å; Y288-E291 PolarHBondContact O-N 3.46Å; Y288-G292 PolarHBondContact O-N 2.57Å
289	I	83.3	Confident	72.8	Confident	21 Å²	21	60.1 Å²	60.1	11%	0.108	32%	0.323	C	S	.	.	H	α-helix	trans	-63.2	-45.5	176.1	-59.2	172.4	0	0	0	110.3	V209 I214 I280 S286 N287 E291 G292 I293	V209-I289 HydrophobicContact CG1-CD1 4.18Å; V209-I289 HydrophobicContact CG1-CG1 4.45Å; V209-I289 HydrophobicContact CG1-CG2 3.58Å; I214-I289 HydrophobicContact CD1-CB 4.3Å; I214-I289 HydrophobicContact CD1-CD1 3.91Å; I214-I289 HydrophobicContact CD1-CG2 4.03Å; I280-I289 HydrophobicContact CG2-CB 4.4Å; I280-I289 HydrophobicContact CG2-CG1 3.89Å; I280-I289 HydrophobicContact CG2-CG2 4.34Å; S286-I289 PolarHBondContact O-N 2.68Å; N287-I289 VanDerWaalsContact C-N 3.32Å; N287-I289 PolarHBondContact O-N 2.95Å; I289-E291 PolarHBondContact O-N 3.37Å; I289-G292 PolarHBondContact O-N 2.93Å; I289-I293 HydrophobicContact CG2-CD1 3.91Å; I289-I293 HydrophobicContact CG2-CG1 4.48Å; I289-I293 WeakPolarHBondContact O-CG1 3.42Å; I289-I293 PolarHBondContact O-N 3.34Å
290	L	87.5	Confident	74.7	Confident	25 Å²	25	58.3 Å²	58.3	13%	0.131	31%	0.309	C	S	.	.	H	α-helix	trans	-60.7	-43.6	177.8	-73.8	166.4	0	0	0	112.2	I214 V217 L218 S286 N287 G292 I293 H294	I214-L290 HydrophobicContact CG2-CD2 4.07Å; V217-L290 HydrophobicContact CB-CD1 4.19Å; V217-L290 HydrophobicContact CB-CD2 4.09Å; V217-L290 HydrophobicContact CG1-CD1 3.7Å; V217-L290 HydrophobicContact CG1-CD2 3.8Å; V217-L290 HydrophobicContact CG1-CG 4.41Å; V217-L290 HydrophobicContact CG2-CD1 4.46Å; L218-L290 HydrophobicContact CD2-CD2 3.82Å; L218-L290 HydrophobicContact CG-CD2 4.03Å; S286-L290 VanDerWaalsContact O-CG 3.29Å; S286-L290 WeakPolarHBondContact O-CG 3.23Å; S286-L290 PolarHBondContact O-N 3.2Å; N287-L290 PolarHBondContact O-N 3.41Å; L290-G292 PolarHBondContact O-N 3.33Å; L290-I293 PolarHBondContact O-N 3.43Å; L290-H294 WeakPolarHBondContact O-CB 3.43Å; L290-H294 PolarHBondContact O-N 2.95Å
291	E	81.7	Confident	76.3	Confident	105 Å²	105	55.7 Å²	55.7	49%	0.491	30%	0.296	S	S	.	.	H	α-helix	trans	-62.3	-41.2	175.3	-73.6	-54.6	127.8	0	0	112.3	N287 Y288 I289 H294 T295	N287-E291 WeakPolarHBondContact O-CG 3.49Å; N287-E291 PolarHBondContact O-N 3.5Å; Y288-E291 PolarHBondContact O-N 3.46Å; I289-E291 PolarHBondContact O-N 3.37Å; E291-H294 PolarHBondContact O-N 3.41Å; E291-T295 WeakPolarHBondContact O-CB 3.19Å; E291-T295 PolarHBondContact O-N 3.3Å; E291-T295 PolarHBondContact O-OG1 3.21Å
292	G	82.6	Confident	77.7	Confident	27 Å²	27	51.7 Å²	51.7	28%	0.278	28%	0.278	S	S	.	.	H	α-helix	trans	-61.7	-45.2	174.5	0	0	0	0	0	112.5	Y288 I289 L290 H294 W296	Y288-G292 PolarHBondContact O-N 2.57Å; I289-G292 PolarHBondContact O-N 2.93Å; L290-G292 PolarHBondContact O-N 3.33Å; G292-H294 VanDerWaalsContact C-N 3.35Å; G292-W296 WeakPolarHBondContact O-CB 3.14Å; G292-W296 PolarHBondContact O-N 2.74Å
293	I	89.2	Confident	79.2	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-41.9	176.3	-67.5	168.6	0	0	0	110.6	I214 L218 L251 L271 I289 L290 W296 I297	I214-I293 HydrophobicContact CG2-CD1 4.21Å; L218-I293 HydrophobicContact CD1-CD1 4.07Å; L218-I293 HydrophobicContact CD1-CG2 4.46Å; L218-I293 HydrophobicContact CD2-CB 4.47Å; L218-I293 HydrophobicContact CD2-CG2 3.76Å; L251-I293 HydrophobicContact CD2-CD1 4.08Å; L251-I293 HydrophobicContact CD2-CG1 4.23Å; L251-I293 HydrophobicContact CD2-CG2 3.77Å; L271-I293 HydrophobicContact CD1-CG1 4.24Å; L271-I293 HydrophobicContact CD2-CG1 4.13Å; I289-I293 HydrophobicContact CG2-CD1 3.91Å; I289-I293 HydrophobicContact CG2-CG1 4.48Å; I289-I293 WeakPolarHBondContact O-CG1 3.42Å; I289-I293 PolarHBondContact O-N 3.34Å; L290-I293 PolarHBondContact O-N 3.43Å; I293-W296 HydrophobicContact CG2-CE3 4.33Å; I293-W296 WeakPolarHBondContact O-CB 3.07Å; I293-W296 PolarHBondContact O-N 3.41Å; I293-I297 HydrophobicContact CG2-CD1 3.83Å; I293-I297 HydrophobicContact CG2-CG1 4.43Å; I293-I297 WeakPolarHBondContact O-CG1 3.4Å; I293-I297 PolarHBondContact O-N 3.02Å
294	H	86.1	Confident	80.5	Confident	8 Å²	8	49.4 Å²	49.4	4%	0.037	26%	0.263	C	S	.	.	H	α-helix	trans	-64.1	-47.8	179.1	-176.3	64.8	0	0	0	112.3	L85 Y222 L290 E291 G292 W296 I297 V298	L85-H294 WeakPolarHBondContact CD2-CD2 3.38Å; L85-H294 VanDerWaalsContact CD2-NE2 3.29Å; L85-H294 WeakPolarHBondContact CD2-NE2 3.39Å; Y222-H294 AromaticContact CZ-ND1 3.72Å; Y222-H294 WeakPolarHBondContact OH-CA 3.2Å; Y222-H294 WeakPolarHBondContact OH-CB 3.47Å; Y222-H294 PolarHBondContact OH-ND1 3.49Å; L290-H294 WeakPolarHBondContact O-CB 3.43Å; L290-H294 PolarHBondContact O-N 2.95Å; E291-H294 PolarHBondContact O-N 3.41Å; G292-H294 VanDerWaalsContact C-N 3.35Å; H294-W296 PolarHBondContact O-N 3.2Å; H294-I297 PolarHBondContact O-N 3.37Å; H294-V298 WeakPolarHBondContact O-CG2 3.41Å; H294-V298 PolarHBondContact O-N 2.92Å
295	T	81.7	Confident	81.4	Confident	74 Å²	74	40.9 Å²	40.9	45%	0.454	22%	0.224	S	C	.	.	H	α-helix	trans	-56.1	-42.6	174.3	-58.6	0	0	0	0	111.3	E291 S299	E291-T295 WeakPolarHBondContact O-CB 3.19Å; E291-T295 PolarHBondContact O-N 3.3Å; E291-T295 PolarHBondContact O-OG1 3.21Å; T295-S299 WeakPolarHBondContact O-CB 3.46Å; T295-S299 PolarHBondContact O-N 2.79Å
296	W	88.5	Confident	81.6	Confident	23 Å²	23	42.1 Å²	42.1	9%	0.087	22%	0.22	C	C	.	.	H	α-helix	trans	-63.1	-49.6	176.7	166.9	67.5	0	0	0	112.6	L179 L251 L253 R269 L271 G292 I293 H294 V298 S299 V300	L179-W296 HydrophobicContact CD1-CZ3 4.26Å; L251-W296 HydrophobicContact CD2-CZ3 3.9Å; L251-W296 HydrophobicContact CG-CZ3 4.3Å; L253-W296 HydrophobicContact CB-CH2 3.4Å; L253-W296 HydrophobicContact CB-CZ2 3.76Å; L253-W296 HydrophobicContact CB-CZ3 4.15Å; R269-W296 HydrophobicContact CB-CZ2 4.16Å; R269-W296 VanDerWaalsContact O-CZ2 3.24Å; R269-W296 WeakPolarHBondContact O-CZ2 3.2Å; L271-W296 HydrophobicContact CB-CH2 4.25Å; L271-W296 HydrophobicContact CB-CZ2 4.36Å; L271-W296 HydrophobicContact CB-CZ3 4.36Å; L271-W296 HydrophobicContact CD1-CB 4.1Å; L271-W296 HydrophobicContact CD1-CD2 3.59Å; L271-W296 HydrophobicContact CD1-CE3 3.55Å; L271-W296 HydrophobicContact CD1-CG 3.84Å; L271-W296 HydrophobicContact CD1-CZ3 4.15Å; G292-W296 WeakPolarHBondContact O-CB 3.14Å; G292-W296 PolarHBondContact O-N 2.74Å; I293-W296 HydrophobicContact CG2-CE3 4.33Å; I293-W296 WeakPolarHBondContact O-CB 3.07Å; I293-W296 PolarHBondContact O-N 3.41Å; H294-W296 PolarHBondContact O-N 3.2Å; W296-V298 VanDerWaalsContact C-N 3.34Å; W296-V298 PolarHBondContact O-N 3.22Å; W296-S299 PolarHBondContact O-N 3.42Å; W296-S299 PolarHBondContact O-OG 3.37Å; W296-V300 WeakPolarHBondContact O-CG2 3.15Å; W296-V300 PolarHBondContact O-N 3.05Å; W296-V300 VanDerWaalsContact O-N 3.08Å
297	I	89.6	Confident	81.3	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58	-47.8	179.5	-71.5	169	0	0	0	110.7	L179 Y222 F227 L253 I293 H294 S299 V300 L301 L370	L179-I297 HydrophobicContact CD1-CD1 4.28Å; Y222-I297 HydrophobicContact CD1-CD1 4.32Å; Y222-I297 HydrophobicContact CD2-CD1 4.42Å; Y222-I297 HydrophobicContact CE1-CB 4.42Å; Y222-I297 HydrophobicContact CE1-CD1 3.72Å; Y222-I297 HydrophobicContact CE1-CG2 3.95Å; Y222-I297 HydrophobicContact CE2-CD1 3.86Å; Y222-I297 VanDerWaalsContact CZ-CD1 3.46Å; F227-I297 HydrophobicContact CE1-CG2 3.85Å; F227-I297 HydrophobicContact CZ-CG2 3.75Å; L253-I297 HydrophobicContact CD2-CG1 4.5Å; I293-I297 HydrophobicContact CG2-CD1 3.83Å; I293-I297 HydrophobicContact CG2-CG1 4.43Å; I293-I297 WeakPolarHBondContact O-CG1 3.4Å; I293-I297 PolarHBondContact O-N 3.02Å; H294-I297 PolarHBondContact O-N 3.37Å; I297-S299 VanDerWaalsContact C-N 3.33Å; I297-S299 PolarHBondContact O-N 2.77Å; I297-V300 PolarHBondContact O-N 2.81Å; I297-L301 HydrophobicContact CG2-CD1 4.08Å; I297-L301 PolarHBondContact O-N 2.92Å; I297-L301 VanDerWaalsContact O-N 3.1Å; I297-L370 HydrophobicContact CG2-CD1 4.21Å
298	V	81.7	Confident	80.6	Confident	4 Å²	4	39 Å²	39	2%	0.024	21%	0.205	C	C	.	.	H	α-helix	trans	-62	-43.5	179.2	180	0	0	0	0	110.5	L85 H294 W296 V300 L301 A302 Q367 L370	L85-V298 HydrophobicContact CD1-CB 3.93Å; L85-V298 HydrophobicContact CD1-CG1 3.93Å; L85-V298 HydrophobicContact CD1-CG2 3.75Å; L85-V298 HydrophobicContact CG-CG2 4.46Å; H294-V298 WeakPolarHBondContact O-CG2 3.41Å; H294-V298 PolarHBondContact O-N 2.92Å; W296-V298 VanDerWaalsContact C-N 3.34Å; W296-V298 PolarHBondContact O-N 3.22Å; V298-V300 VanDerWaalsContact C-N 3.3Å; V298-V300 PolarHBondContact O-N 3.46Å; V298-L301 PolarHBondContact O-N 3.5Å; V298-A302 VanDerWaalsContact O-CB 3.29Å; V298-A302 WeakPolarHBondContact O-CB 3.17Å; V298-A302 PolarHBondContact O-N 3.44Å; V298-Q367 HydrophobicContact CG1-CB 4.35Å; V298-Q367 VanDerWaalsContact CG1-OE1 3.29Å; V298-L370 HydrophobicContact CG2-CB 4.4Å; V298-L370 HydrophobicContact CG2-CD1 4Å
299	S	80.2	Confident	80	Confident	46 Å²	46	40 Å²	40	32%	0.322	22%	0.217	S	C	.	.	H	α-helix	trans	-58.7	-40.3	178.8	77.3	0	0	0	0	112.8	T295 W296 I297	T295-S299 WeakPolarHBondContact O-CB 3.46Å; T295-S299 PolarHBondContact O-N 2.79Å; W296-S299 PolarHBondContact O-N 3.42Å; W296-S299 PolarHBondContact O-OG 3.37Å; I297-S299 VanDerWaalsContact C-N 3.33Å; I297-S299 PolarHBondContact O-N 2.77Å
300	V	84.8	Confident	78.8	Confident	6 Å²	6	43.2 Å²	43.2	4%	0.036	23%	0.234	C	C	.	.	H	α-helix	trans	-69	-41.2	178.8	173.2	0	0	0	0	111.3	L253 L255 R269 W296 I297 V298	L253-V300 HydrophobicContact CD2-CB 3.93Å; L253-V300 HydrophobicContact CD2-CG1 3.76Å; L253-V300 HydrophobicContact CD2-CG2 4.41Å; L255-V300 HydrophobicContact CD1-CG1 4.1Å; L255-V300 HydrophobicContact CD2-CG1 4.35Å; R269-V300 HydrophobicContact CB-CG2 4.45Å; R269-V300 HydrophobicContact CG-CG1 3.91Å; R269-V300 HydrophobicContact CG-CG2 4.34Å; W296-V300 WeakPolarHBondContact O-CG2 3.15Å; W296-V300 PolarHBondContact O-N 3.05Å; W296-V300 VanDerWaalsContact O-N 3.08Å; I297-V300 PolarHBondContact O-N 2.81Å; V298-V300 VanDerWaalsContact C-N 3.3Å; V298-V300 PolarHBondContact O-N 3.46Å
301	L	83.7	Confident	77.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-74.3	-32.9	-179.2	-66.4	176.8	0	0	0	112.5	F227 L255 I297 V298 E303 R304 L370 S373 A374 V377	F227-L301 HydrophobicContact CE2-CD1 4.43Å; F227-L301 HydrophobicContact CZ-CD1 3.75Å; L255-L301 HydrophobicContact CD1-CD2 3.67Å; I297-L301 HydrophobicContact CG2-CD1 4.08Å; I297-L301 PolarHBondContact O-N 2.92Å; I297-L301 VanDerWaalsContact O-N 3.1Å; V298-L301 PolarHBondContact O-N 3.5Å; L301-E303 PolarHBondContact O-N 3.31Å; L301-R304 WeakPolarHBondContact O-CB 3.48Å; L301-R304 PolarHBondContact O-N 3.41Å; L301-L370 HydrophobicContact CD1-CD1 3.61Å; L301-S373 VanDerWaalsContact CB-CB 3.49Å; L301-A374 HydrophobicContact CD1-CB 4.48Å; L301-V377 HydrophobicContact CD2-CG2 3.96Å
302	A	76.5	Confident	76.1	Confident	19 Å²	19	44.9 Å²	44.9	16%	0.157	25%	0.246	C	C	.	.	H	α-helix	trans	-59.7	-27.5	177.3	0	0	0	0	0	112.7	V298 R304 V305 Q367	V298-A302 VanDerWaalsContact O-CB 3.29Å; V298-A302 WeakPolarHBondContact O-CB 3.17Å; V298-A302 PolarHBondContact O-N 3.44Å; A302-R304 PolarHBondContact O-N 3.05Å; A302-V305 PolarHBondContact O-N 2.93Å; A302-Q367 HydrophobicContact CB-CG 4.4Å
303	E	77.1	Confident	75	Confident	116 Å²	116	46.2 Å²	46.2	54%	0.542	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-18.5	174.6	-64	-178.2	-163.8	0	0	113.8	R269 L301	R269-E303 IonicContact CZ-OE1 3.5Å; R269-E303 IonicContact CZ-OE2 3.19Å; R269-E303 IonicContact NH1-OE1 2.92Å; R269-E303 PolarHBondContact NH1-OE1 3.06Å; R269-E303 IonicContact NH1-OE2 2.62Å; R269-E303 VanDerWaalsContact NH2-CD 3.31Å; R269-E303 IonicContact NH2-OE1 3.95Å; R269-E303 PolarHBondContact NH2-OE1 2.71Å; R269-E303 IonicContact NH2-OE2 2.79Å; R269-E303 PolarHBondContact NH2-OE2 3.27Å; L301-E303 PolarHBondContact O-N 3.31Å
304	R	73.6	Confident	73.5	Confident	36 Å²	36	47.1 Å²	47.1	14%	0.136	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-16.4	178.8	-61.8	-179.6	177.6	-123.6	-0.2	113.6	P256 L301 A302 S376	P256-R304 PolarHBondContact O-NH1 2.95Å; P256-R304 PolarHBondContact O-NH2 3.48Å; L301-R304 WeakPolarHBondContact O-CB 3.48Å; L301-R304 PolarHBondContact O-N 3.41Å; A302-R304 PolarHBondContact O-N 3.05Å; R304-S376 VanDerWaalsContact CB-OG 3.31Å; R304-S376 WeakPolarHBondContact CB-OG 3.44Å; R304-S376 WeakPolarHBondContact CD-OG 3.43Å
305	V	74.3	Confident	71.8	Confident	12 Å²	12	51.5 Å²	51.5	7%	0.073	27%	0.273	C	S	.	.	S	Bend	trans	-94.9	112.3	179.3	-175.6	0	0	0	0	108.3	A302 P368 L372 F385 I387	A302-V305 PolarHBondContact O-N 2.93Å; V305-P368 HydrophobicContact CB-CG 3.91Å; V305-P368 HydrophobicContact CG1-CG 4.1Å; V305-P368 HydrophobicContact CG2-CB 4.45Å; V305-P368 HydrophobicContact CG2-CG 3.63Å; V305-L372 HydrophobicContact CG2-CD2 3.79Å; V305-F385 HydrophobicContact CB-CB 4.4Å; V305-F385 HydrophobicContact CG1-CB 4.23Å; V305-F385 HydrophobicContact CG2-CB 3.88Å; V305-I387 HydrophobicContact CG1-CB 3.99Å; V305-I387 HydrophobicContact CG1-CG2 4.22Å
306	K	73.9	Confident	70	Confident	100 Å²	100	51.4 Å²	51.4	44%	0.435	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	140.6	-173.8	-68.1	-173.5	-179.9	-175.8	0	111.2	L308 F385 W386 I387	K306-L308 PolarHBondContact O-N 2.98Å; K306-F385 PolarHBondContact N-O 2.83Å; K306-W386 HydrophobicContact CB-CE3 3.88Å; K306-W386 HydrophobicContact CB-CZ3 3.89Å; K306-W386 HydrophobicContact CD-CZ3 4.45Å; K306-W386 CarbonylContact O-C 3.58Å; K306-W386 VanDerWaalsContact O-CA 3.22Å; K306-W386 WeakPolarHBondContact O-CA 3.39Å; K306-I387 PolarHBondContact O-N 2.63Å
307	P	71.8	Confident	67.4	Low	73 Å²	73	54.3 Å²	54.3	47%	0.474	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	127.2	170.1	27.9	-33.2	0	0	0	110.5	N309 I387	P307-N309 PolarHBondContact O-N 3.28Å; P307-I387 CarbonylContact C-O 3.6Å; P307-I387 WeakPolarHBondContact CA-O 3.13Å; P307-I387 HydrophobicContact CB-CG2 4.16Å
308	L	66.6	Low	64.9	Low	18 Å²	18	58.2 Å²	58.2	9%	0.094	32%	0.316	C	S	.	.			trans	-87	90.3	172.5	-177.4	67.7	0	0	0	109.8	K306 N310 S313 I314 L350 W386 I387 V388 P389	K306-L308 PolarHBondContact O-N 2.98Å; L308-N310 WeakPolarHBondContact CD1-O 3.4Å; L308-S313 WeakPolarHBondContact CD1-OG 3.16Å; L308-I314 HydrophobicContact CD1-CD1 3.54Å; L308-I314 HydrophobicContact CD1-CG1 3.64Å; L308-I314 HydrophobicContact CD2-CD1 3.49Å; L308-I314 VanDerWaalsContact CD2-CD1 3.49Å; L308-I314 HydrophobicContact CD2-CG1 4.5Å; L308-I314 HydrophobicContact CG-CD1 4.15Å; L308-L350 HydrophobicContact CD2-CD2 3.44Å; L308-L350 VanDerWaalsContact CD2-CD2 3.44Å; L308-W386 HydrophobicContact CB-CB 4.17Å; L308-W386 HydrophobicContact CB-CE3 4.04Å; L308-W386 HydrophobicContact CD1-CD2 4.31Å; L308-W386 HydrophobicContact CD1-CE3 3.92Å; L308-W386 HydrophobicContact CD1-CZ3 4.24Å; L308-I387 PolarHBondContact N-O 3.13Å; L308-V388 HydrophobicContact CB-CG2 4.38Å; L308-V388 HydrophobicContact CD2-CG2 4.06Å; L308-P389 VanDerWaalsContact O-CD 3.3Å; L308-P389 WeakPolarHBondContact O-CD 3.23Å
309	N	66.2	Low	62.8	Low	123 Å²	123	61.1 Å²	61.1	66%	0.658	34%	0.337	S	S	*	.			trans	-90.2	-21.7	176.3	-61.6	-17.5	0	0	0	112.5	P307	P307-N309 PolarHBondContact O-N 3.28Å
310	N	57	Low	60.7	Low	89 Å²	89	62.8 Å²	62.8	48%	0.476	34%	0.341	S	S	.	.			trans	-148.1	129.5	-176.1	-172.9	-27.1	0	0	0	110.5	L308 N312 S313	L308-N310 WeakPolarHBondContact CD1-O 3.4Å; N310-N312 PolarHBondContact O-N 3.45Å; N310-N312 VanDerWaalsContact O-N 3.12Å; N310-N312 WeakPolarHBondContact OD1-CB 3.39Å; N310-N312 PolarHBondContact OD1-N 3.1Å; N310-S313 WeakPolarHBondContact O-CB 3.21Å; N310-S313 PolarHBondContact O-N 3.09Å; N310-S313 PolarHBondContact O-OG 3.34Å
311	I	58.1	Low	58.3	Low	74 Å²	74	67.1 Å²	67.1	38%	0.379	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-58.6	-25.7	-179.7	-164.1	62.9	0	0	0	113.4	S313 I314 Y315 W407	I311-S313 PolarHBondContact O-N 3.26Å; I311-I314 HydrophobicContact CD1-CD1 4.34Å; I311-I314 PolarHBondContact O-N 3.02Å; I311-Y315 PolarHBondContact O-N 2.89Å; I311-Y315 VanDerWaalsContact O-N 3.07Å; I311-W407 HydrophobicContact CD1-CH2 4.46Å; I311-W407 HydrophobicContact CD1-CZ3 4.35Å
312	N	54.3	Low	56	Low	91 Å²	91	71.1 Å²	71.1	49%	0.487	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-61.9	-15.2	177.4	-66.2	-17.8	0	0	0	113	N310 Y315 V317	N310-N312 PolarHBondContact O-N 3.45Å; N310-N312 VanDerWaalsContact O-N 3.12Å; N310-N312 WeakPolarHBondContact OD1-CB 3.39Å; N310-N312 PolarHBondContact OD1-N 3.1Å; N312-Y315 CarbonylContact C-O 3.57Å; N312-Y315 VanDerWaalsContact CA-O 3.31Å; N312-Y315 WeakPolarHBondContact CA-O 3.22Å; N312-V317 WeakPolarHBondContact OD1-CG2 3.38Å
313	S	60.2	Low	54	Low	55 Å²	55	76.6 Å²	76.6	39%	0.385	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-80.3	-17.2	173.5	71.9	0	0	0	0	113.9	L308 N310 I311 W386	L308-S313 WeakPolarHBondContact CD1-OG 3.16Å; N310-S313 WeakPolarHBondContact O-CB 3.21Å; N310-S313 PolarHBondContact O-N 3.09Å; N310-S313 PolarHBondContact O-OG 3.34Å; I311-S313 PolarHBondContact O-N 3.26Å; S313-W386 WeakPolarHBondContact O-CH2 3.32Å; S313-W386 WeakPolarHBondContact OG-CH2 3.42Å; S313-W386 VanDerWaalsContact OG-CZ3 3.27Å; S313-W386 WeakPolarHBondContact OG-CZ3 3.32Å
314	I	58.4	Low	52.2	Low	22 Å²	22	78 Å²	78	11%	0.113	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-49.9	174.6	-64.9	-179.6	0	0	0	109.4	L308 I311 H348 L350 W386	L308-I314 HydrophobicContact CD1-CD1 3.54Å; L308-I314 HydrophobicContact CD1-CG1 3.64Å; L308-I314 HydrophobicContact CD2-CD1 3.49Å; L308-I314 VanDerWaalsContact CD2-CD1 3.49Å; L308-I314 HydrophobicContact CD2-CG1 4.5Å; L308-I314 HydrophobicContact CG-CD1 4.15Å; I311-I314 HydrophobicContact CD1-CD1 4.34Å; I311-I314 PolarHBondContact O-N 3.02Å; I314-H348 HydrophobicContact CG2-CB 4.24Å; I314-L350 HydrophobicContact CD1-CD2 3.75Å; I314-L350 HydrophobicContact CD1-CG 4.49Å; I314-W386 HydrophobicContact CD1-CG 4.42Å; I314-W386 HydrophobicContact CG1-CD2 4.28Å; I314-W386 HydrophobicContact CG1-CZ2 4.08Å
315	Y	50.6	Low	50.3	Low	100 Å²	100	86.1 Å²	86.1	39%	0.392	46%	0.458	S	S	.	.			trans	-117.6	117.7	-179.8	-88.4	-84.7	0	0	0	110.3	I311 N312 V317 P408	I311-Y315 PolarHBondContact O-N 2.89Å; I311-Y315 VanDerWaalsContact O-N 3.07Å; N312-Y315 CarbonylContact C-O 3.57Å; N312-Y315 VanDerWaalsContact CA-O 3.31Å; N312-Y315 WeakPolarHBondContact CA-O 3.22Å; Y315-V317 PolarHBondContact O-N 3.11Å; Y315-V317 VanDerWaalsContact O-N 3.17Å; Y315-P408 HydrophobicContact CD1-CG 4.33Å; Y315-P408 HydrophobicContact CD2-CG 3.93Å; Y315-P408 HydrophobicContact CE1-CG 3.95Å; Y315-P408 HydrophobicContact CE2-CG 3.53Å; Y315-P408 HydrophobicContact CG-CG 4.32Å
316	S	43.2	Very low	48.4	Very low	72 Å²	72	90.8 Å²	90.8	50%	0.503	48%	0.483	S	S	.	.			trans	-70.6	110.6	159.6	-175.8	0	0	0	0	107.1	N318 S319	S316-N318 PolarHBondContact O-N 2.98Å; S316-S319 PolarHBondContact O-N 2.98Å; S316-S319 PolarHBondContact O-OG 3.26Å
317	V	33.7	Very low	46.7	Very low	84 Å²	84	93.2 Å²	93.2	51%	0.509	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-49.7	-19.1	-179	178.4	0	0	0	0	113	N312 Y315 S319	N312-V317 WeakPolarHBondContact OD1-CG2 3.38Å; Y315-V317 PolarHBondContact O-N 3.11Å; Y315-V317 VanDerWaalsContact O-N 3.17Å; V317-S319 PolarHBondContact O-N 3.1Å; V317-S319 VanDerWaalsContact O-N 3.16Å
318	N	37	Very low	45.2	Very low	83 Å²	83	100.7 Å²	100.7	44%	0.444	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-67.1	-8.1	176.6	-64.2	-5.1	0	0	0	114.8	S316 V447	S316-N318 PolarHBondContact O-N 2.98Å; N318-V447 HydrophobicContact CB-CB 4.48Å; N318-V447 HydrophobicContact CB-CG1 3.99Å; N318-V447 HydrophobicContact CB-CG2 3.65Å; N318-V447 VanDerWaalsContact CG-CG2 3.42Å; N318-V447 WeakPolarHBondContact O-CG1 3.48Å
319	S	37.5	Very low	43.7	Very low	65 Å²	65	107.2 Å²	107.2	46%	0.455	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-93.4	-3.8	-178.7	71	0	0	0	0	115.6	S316 V317 L321	S316-S319 PolarHBondContact O-N 2.98Å; S316-S319 PolarHBondContact O-OG 3.26Å; V317-S319 PolarHBondContact O-N 3.1Å; V317-S319 VanDerWaalsContact O-N 3.16Å; S319-L321 PolarHBondContact O-N 3.07Å; S319-L321 VanDerWaalsContact O-N 3.11Å
320	I	35.2	Very low	42.4	Very low	80 Å²	80	107.8 Å²	107.8	41%	0.41	55%	0.553	S	S	.	*			trans	-86.5	83.5	-178.3	-53.4	175.5	0	0	0	108.8	S322	I320-S322 PolarHBondContact O-N 3.37Å; I320-S322 VanDerWaalsContact O-N 3.16Å
321	L	34.6	Very low	41.6	Very low	98 Å²	98	110.9 Å²	110.9	51%	0.513	56%	0.559	S	S	.	*			trans	-57.9	115.1	156.7	-76.9	161.8	0	0	0	107.3	S319 I323 F338 L448	S319-L321 PolarHBondContact O-N 3.07Å; S319-L321 VanDerWaalsContact O-N 3.11Å; L321-I323 PolarHBondContact O-N 3.49Å; L321-I323 VanDerWaalsContact O-N 3.11Å; L321-F338 HydrophobicContact CD1-CE2 4.18Å; L321-L448 HydrophobicContact CD2-CD2 3.66Å
322	S	35.4	Very low	40.8	Very low	84 Å²	84	114.2 Å²	114.2	59%	0.587	58%	0.576	S	S	*	*			trans	-48.9	115.7	179.7	41	0	0	0	0	111.2	I320 D324 R325	I320-S322 PolarHBondContact O-N 3.37Å; I320-S322 VanDerWaalsContact O-N 3.16Å; S322-D324 PolarHBondContact O-N 3.26Å; S322-R325 PolarHBondContact O-N 3.11Å; S322-R325 VanDerWaalsContact O-N 3.17Å
323	I	35.1	Very low	40.1	Very low	134 Å²	134	116.8 Å²	116.8	69%	0.687	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-48.5	-26.3	-179.9	-68.9	166.3	0	0	0	112.3	L321 R325 L326	L321-I323 PolarHBondContact O-N 3.49Å; L321-I323 VanDerWaalsContact O-N 3.11Å; I323-R325 PolarHBondContact O-N 2.64Å; I323-L326 PolarHBondContact O-N 3.22Å
324	D	39.7	Very low	39.4	Very low	145 Å²	145	119.8 Å²	119.8	78%	0.775	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-52.1	-23.1	175.9	-96.6	-1.7	0	0	0	115.5	S322	S322-D324 PolarHBondContact O-N 3.26Å
325	R	33.8	Very low	38.8	Very low	206 Å²	206	123.1 Å²	123.1	78%	0.777	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-91	-14.1	177	-94.9	-174.3	176.4	170.9	0.4	115.2	S322 I323 I327 R328	S322-R325 PolarHBondContact O-N 3.11Å; S322-R325 VanDerWaalsContact O-N 3.17Å; I323-R325 PolarHBondContact O-N 2.64Å; R325-I327 PolarHBondContact O-N 3.15Å; R325-R328 PolarHBondContact O-N 2.63Å
326	L	33.6	Very low	38.3	Very low	111 Å²	111	125.4 Å²	125.4	58%	0.581	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-70.3	-22	-176.5	-144.7	81.9	0	0	0	112.6	I323 R328 Y331	I323-L326 PolarHBondContact O-N 3.22Å; L326-R328 VanDerWaalsContact C-N 3.29Å; L326-R328 PolarHBondContact O-N 2.74Å; L326-Y331 HydrophobicContact CD2-CE2 4.33Å
327	I	38.6	Very low	38.3	Very low	151 Å²	151	125.1 Å²	125.1	77%	0.774	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-74.1	-18.9	-178	-59.5	175.1	0	0	0	112.1	R325	R325-I327 PolarHBondContact O-N 3.15Å
328	R	41	Very low	38.7	Very low	230 Å²	230	124.7 Å²	124.7	87%	0.868	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-102.5	-6	-168.6	-95.8	-171	-171.3	-153	2.4	117.7	R325 L326	R325-R328 PolarHBondContact O-N 2.63Å; L326-R328 VanDerWaalsContact C-N 3.29Å; L326-R328 PolarHBondContact O-N 2.74Å
329	M	33.6	Very low	39.1	Very low	154 Å²	154	129.1 Å²	129.1	76%	0.759	62%	0.62	S	S	*	*	S	Bend	trans	-143	115.9	-177.2	-69.6	-160.6	77.2	0	0	114	Y331	M329-Y331 PolarHBondContact O-N 3.07Å
330	D	40.5	Very low	39.6	Very low	136 Å²	136	130.4 Å²	130.4	73%	0.727	62%	0.622	S	S	*	*			trans	23.9	74.8	155.2	-62.5	-19.3	0	0	0	116.4	L332 K333	D330-L332 VanDerWaalsContact C-N 3.25Å; D330-L332 PolarHBondContact O-N 3.2Å; D330-K333 PolarHBondContact O-N 3Å
331	Y	40.4	Very low	40.1	Very low	154 Å²	154	132.6 Å²	132.6	60%	0.604	63%	0.634	S	S	*	*	H	α-helix	trans	-45.8	-35.7	-171.4	-156.4	-107.1	0	0	0	115.6	L326 M329 L335	L326-Y331 HydrophobicContact CD2-CE2 4.33Å; M329-Y331 PolarHBondContact O-N 3.07Å; Y331-L335 HydrophobicContact CD1-CD1 3.69Å; Y331-L335 HydrophobicContact CE1-CD1 3.63Å; Y331-L335 HydrophobicContact CG-CD1 4.47Å; Y331-L335 WeakPolarHBondContact O-CD1 3.43Å; Y331-L335 PolarHBondContact O-N 3.01Å
332	L	40.1	Very low	40.4	Very low	143 Å²	143	133.3 Å²	133.3	75%	0.749	63%	0.633	S	S	*	*	H	α-helix	trans	-84.5	-33	-169.6	-68.5	172.5	0	0	0	114.7	D330	D330-L332 VanDerWaalsContact C-N 3.25Å; D330-L332 PolarHBondContact O-N 3.2Å
333	K	40.8	Very low	40.8	Very low	145 Å²	145	134.7 Å²	134.7	63%	0.63	63%	0.625	S	S	*	*	H	α-helix	trans	-73	-36	179.5	-85.4	-177	176.2	176.1	0	111.9	D330 S337	D330-K333 PolarHBondContact O-N 3Å; K333-S337 PolarHBondContact O-OG 2.78Å
334	H	45.4	Very low	41.6	Very low	119 Å²	119	134.4 Å²	134.4	55%	0.551	63%	0.632	S	S	*	*	H	α-helix	trans	-80.8	-27.4	-177	-147.5	-81.6	0	0	0	112.8	F336 F338	H334-F336 PolarHBondContact O-N 3.21Å; H334-F338 AromaticContact CE1-CD2 3.96Å; H334-F338 WeakPolarHBondContact O-CA 3.45Å; H334-F338 WeakPolarHBondContact O-CB 3.2Å; H334-F338 PolarHBondContact O-N 3.22Å
335	L	44.4	Very low	42.5	Very low	92 Å²	92	134.2 Å²	134.2	48%	0.482	63%	0.626	S	S	.	*	H	α-helix	trans	-57	-49.8	176	-100.9	160.9	0	0	0	111.7	Y331 W339	Y331-L335 HydrophobicContact CD1-CD1 3.69Å; Y331-L335 HydrophobicContact CE1-CD1 3.63Å; Y331-L335 HydrophobicContact CG-CD1 4.47Å; Y331-L335 WeakPolarHBondContact O-CD1 3.43Å; Y331-L335 PolarHBondContact O-N 3.01Å; L335-W339 WeakPolarHBondContact O-CB 3.41Å; L335-W339 PolarHBondContact O-N 3.46Å
336	F	39.7	Very low	43.9	Very low	148 Å²	148	125.3 Å²	125.3	65%	0.649	60%	0.595	S	S	*	*	H	α-helix	trans	-68.5	-47.4	-179.6	-106.4	-85.2	0	0	0	112.6	H334 F338 W339 L340	H334-F336 PolarHBondContact O-N 3.21Å; F336-F338 PolarHBondContact O-N 2.85Å; F336-W339 PolarHBondContact O-N 2.92Å; F336-L340 HydrophobicContact CD1-CD1 4.38Å; F336-L340 WeakPolarHBondContact O-CB 3.47Å; F336-L340 WeakPolarHBondContact O-CD1 3.37Å; F336-L340 VanDerWaalsContact O-CG 3.31Å; F336-L340 WeakPolarHBondContact O-CG 3.27Å; F336-L340 PolarHBondContact O-N 2.88Å
337	S	43.9	Very low	45.4	Very low	65 Å²	65	125.4 Å²	125.4	46%	0.455	60%	0.595	S	S	.	*	H	α-helix	trans	-64.9	-39.8	179.4	-62.4	0	0	0	0	112.2	K333 L341	K333-S337 PolarHBondContact O-OG 2.78Å; S337-L341 VanDerWaalsContact O-CB 3.26Å; S337-L341 WeakPolarHBondContact O-CB 3.48Å; S337-L341 VanDerWaalsContact O-CD1 3.3Å; S337-L341 WeakPolarHBondContact O-CD1 3.49Å; S337-L341 WeakPolarHBondContact O-CG 3.26Å; S337-L341 PolarHBondContact O-N 3.18Å
338	F	42.8	Very low	47	Very low	76 Å²	76	120.3 Å²	120.3	33%	0.333	57%	0.568	S	S	.	*	H	α-helix	trans	-71	-38.7	178.7	-170.4	-107.6	0	0	0	112.4	L321 H334 F336 L341 K342	L321-F338 HydrophobicContact CD1-CE2 4.18Å; H334-F338 AromaticContact CE1-CD2 3.96Å; H334-F338 WeakPolarHBondContact O-CA 3.45Å; H334-F338 WeakPolarHBondContact O-CB 3.2Å; H334-F338 PolarHBondContact O-N 3.22Å; F336-F338 PolarHBondContact O-N 2.85Å; F338-L341 PolarHBondContact O-N 2.58Å; F338-K342 HydrophobicContact CD1-CD 4.1Å; F338-K342 HydrophobicContact CE1-CD 3.6Å; F338-K342 HydrophobicContact CE1-CG 4.28Å; F338-K342 HydrophobicContact CZ-CD 3.96Å; F338-K342 HydrophobicContact CZ-CG 4.37Å; F338-K342 WeakPolarHBondContact O-CB 3.24Å; F338-K342 PolarHBondContact O-N 3.14Å
339	W	45.4	Very low	48.4	Very low	175 Å²	175	111.8 Å²	111.8	66%	0.663	54%	0.541	S	S	*	.	H	α-helix	trans	-64.7	-42	174.5	-175.7	85.1	0	0	0	111.7	L335 F336	L335-W339 WeakPolarHBondContact O-CB 3.41Å; L335-W339 PolarHBondContact O-N 3.46Å; F336-W339 PolarHBondContact O-N 2.92Å
340	L	46.9	Very low	50.1	Low	93 Å²	93	107.2 Å²	107.2	49%	0.487	52%	0.52	S	S	.	.	H	α-helix	trans	-67.8	-33	175.9	-76.1	163.3	0	0	0	113.5	F336	F336-L340 HydrophobicContact CD1-CD1 4.38Å; F336-L340 WeakPolarHBondContact O-CB 3.47Å; F336-L340 WeakPolarHBondContact O-CD1 3.37Å; F336-L340 VanDerWaalsContact O-CG 3.31Å; F336-L340 WeakPolarHBondContact O-CG 3.27Å; F336-L340 PolarHBondContact O-N 2.88Å
341	L	45.5	Very low	51.4	Low	125 Å²	125	103 Å²	103	65%	0.654	49%	0.493	S	S	*	.	H	α-helix	trans	-86.5	-24.9	-177.4	-72.2	166.5	0	0	0	113.5	S337 F338 R343	S337-L341 VanDerWaalsContact O-CB 3.26Å; S337-L341 WeakPolarHBondContact O-CB 3.48Å; S337-L341 VanDerWaalsContact O-CD1 3.3Å; S337-L341 WeakPolarHBondContact O-CD1 3.49Å; S337-L341 WeakPolarHBondContact O-CG 3.26Å; S337-L341 PolarHBondContact O-N 3.18Å; F338-L341 PolarHBondContact O-N 2.58Å; L341-R343 PolarHBondContact O-N 3.4Å
342	K	41.3	Very low	52.5	Low	113 Å²	113	100.2 Å²	100.2	49%	0.491	49%	0.485	S	S	.	.	S	Bend	trans	-69.6	116.6	174.4	-94.8	-171.4	166	178	0	108.8	F338	F338-K342 HydrophobicContact CD1-CD 4.1Å; F338-K342 HydrophobicContact CE1-CD 3.6Å; F338-K342 HydrophobicContact CE1-CG 4.28Å; F338-K342 HydrophobicContact CZ-CD 3.96Å; F338-K342 HydrophobicContact CZ-CG 4.37Å; F338-K342 WeakPolarHBondContact O-CB 3.24Å; F338-K342 PolarHBondContact O-N 3.14Å
343	R	44.6	Very low	53.4	Low	114 Å²	114	94 Å²	94	43%	0.43	45%	0.453	S	S	.	.			trans	-50.3	134	164.7	-75.4	-170.2	-180	151.4	19.8	108.1	L341 Q345 I561	L341-R343 PolarHBondContact O-N 3.4Å; R343-Q345 PolarHBondContact O-N 3.18Å; R343-I561 VanDerWaalsContact CZ-O 3.3Å; R343-I561 PolarHBondContact NE-O 3.15Å; R343-I561 PolarHBondContact NH2-O 3.37Å
344	P	52.5	Low	53.7	Low	128 Å²	128	89.7 Å²	89.7	83%	0.831	45%	0.45	S	S	*	.			trans	-54.5	111.4	170.9	21.3	-30.2	0	0	0	107.2
345	Q	57.9	Low	53.7	Low	140 Å²	140	85.9 Å²	85.9	65%	0.654	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-71.3	142.6	175.9	-68.8	-65.6	-27.8	0	0	107.1	R343 I347	R343-Q345 PolarHBondContact O-N 3.18Å; Q345-I347 PolarHBondContact O-N 3.23Å
346	P	64.1	Low	53.1	Low	19 Å²	19	85.7 Å²	85.7	12%	0.123	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-62.6	141.5	173.2	27.1	-31.1	0	0	0	109.1	H348 R382 R384	P346-H348 PolarHBondContact O-CD2 3.32Å; P346-H348 PolarHBondContact O-N 3.08Å; P346-H348 PolarHBondContact O-NE2 3.18Å; P346-R382 CarbonylContact C-O 3.53Å; P346-R382 WeakPolarHBondContact CA-O 3.34Å; P346-R382 WeakPolarHBondContact CB-O 3.36Å; P346-R384 HydrophobicContact CB-CG 3.96Å; P346-R384 HydrophobicContact CG-CG 4.1Å
347	I	63.7	Low	52.9	Low	114 Å²	114	82.5 Å²	82.5	59%	0.585	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	130.6	168.4	-63.6	169.4	0	0	0	107.2	Q345 V349 R382 V383 R384	Q345-I347 PolarHBondContact O-N 3.23Å; I347-V349 HydrophobicContact CG2-CG2 4.4Å; I347-R382 PolarHBondContact N-O 2.78Å; I347-V383 HydrophobicContact CB-CG2 4.14Å; I347-V383 CarbonylContact O-C 3.58Å; I347-V383 WeakPolarHBondContact O-CA 3.19Å; I347-V383 WeakPolarHBondContact O-CG1 3.09Å; I347-R384 PolarHBondContact O-N 2.95Å
348	H	72.3	Confident	52.6	Low	44 Å²	44	89.7 Å²	89.7	20%	0.204	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	116.5	177.7	-66.9	-105.5	0	0	0	108.9	I314 P346 R384 W386	I314-H348 HydrophobicContact CG2-CB 4.24Å; P346-H348 PolarHBondContact O-CD2 3.32Å; P346-H348 PolarHBondContact O-N 3.08Å; P346-H348 PolarHBondContact O-NE2 3.18Å; H348-R384 CarbonylContact C-O 3.58Å; H348-R384 WeakPolarHBondContact CA-O 3.29Å; H348-W386 AromaticContact CE1-NE1 3.96Å; H348-W386 AromaticContact CG-NE1 3.79Å; H348-W386 AromaticContact ND1-CD1 3.92Å; H348-W386 AromaticContact ND1-CE2 3.65Å; H348-W386 AromaticContact ND1-CZ2 3.88Å; H348-W386 AromaticContact ND1-NE1 2.95Å; H348-W386 PolarHBondContact ND1-NE1 2.76Å
349	V	69.9	Low	52.2	Low	51 Å²	51	88.9 Å²	88.9	31%	0.309	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.6	174.4	175.6	0	0	0	0	107.7	I347 L372 V383 R384 F385 W386	I347-V349 HydrophobicContact CG2-CG2 4.4Å; V349-L372 HydrophobicContact CG1-CD1 4.44Å; V349-V383 HydrophobicContact CB-CG1 4.28Å; V349-V383 HydrophobicContact CG2-CG1 3.54Å; V349-R384 PolarHBondContact N-O 3.3Å; V349-F385 HydrophobicContact CB-CD1 3.6Å; V349-F385 HydrophobicContact CB-CE1 3.78Å; V349-F385 HydrophobicContact CB-CG 4.4Å; V349-F385 HydrophobicContact CG1-CD1 3.69Å; V349-F385 HydrophobicContact CG1-CE1 3.83Å; V349-F385 HydrophobicContact CG2-CD1 4.26Å; V349-F385 HydrophobicContact CG2-CE1 3.94Å; V349-F385 HydrophobicContact CG2-CZ 4.47Å; V349-F385 CarbonylContact O-C 3.54Å; V349-F385 WeakPolarHBondContact O-CA 3.35Å; V349-W386 PolarHBondContact O-N 2.81Å
350	L	70.3	Confident	51.8	Low	57 Å²	57	90.8 Å²	90.8	30%	0.298	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.9	-179.1	-68	139.2	0	0	0	108.5	L308 I314 F352 W386 V388	L308-L350 HydrophobicContact CD2-CD2 3.44Å; L308-L350 VanDerWaalsContact CD2-CD2 3.44Å; I314-L350 HydrophobicContact CD1-CD2 3.75Å; I314-L350 HydrophobicContact CD1-CG 4.49Å; L350-F352 HydrophobicContact CB-CD2 4.42Å; L350-F352 HydrophobicContact CB-CE2 3.73Å; L350-F352 HydrophobicContact CB-CZ 4.23Å; L350-W386 HydrophobicContact CD2-CB 4.11Å; L350-V388 HydrophobicContact CD2-CG2 3.78Å
351	W	68.5	Low	51.1	Low	47 Å²	47	91.7 Å²	91.7	18%	0.178	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	119.5	169.5	-173.5	67.3	0	0	0	109.1	P353 F355 P368 L372 W386 I387 V388	W351-P353 HydrophobicContact CE3-CB 4.37Å; W351-P353 HydrophobicContact CH2-CB 3.82Å; W351-P353 HydrophobicContact CZ2-CB 4.49Å; W351-P353 HydrophobicContact CZ3-CB 3.75Å; W351-P353 HydrophobicContact CZ3-CG 4.33Å; W351-P353 WeakPolarHBondContact O-CD 3.36Å; W351-F355 HydrophobicContact CH2-CE2 4.05Å; W351-F355 HydrophobicContact CZ2-CE2 4.08Å; W351-P368 HydrophobicContact CD2-CB 4.26Å; W351-P368 HydrophobicContact CE3-CB 4.14Å; W351-L372 HydrophobicContact CB-CD1 4Å; W351-L372 HydrophobicContact CG-CD1 4.18Å; W351-W386 PolarHBondContact N-O 3.38Å; W351-I387 HydrophobicContact CE3-CB 4.3Å; W351-I387 HydrophobicContact CE3-CD1 3.72Å; W351-I387 HydrophobicContact CE3-CG1 3.71Å; W351-I387 HydrophobicContact CZ3-CD1 3.5Å; W351-I387 VanDerWaalsContact CZ3-CD1 3.5Å; W351-I387 HydrophobicContact CZ3-CG1 3.98Å; W351-V388 PolarHBondContact O-N 3.35Å
352	F	63.4	Low	50.8	Low	97 Å²	97	87.9 Å²	87.9	43%	0.425	46%	0.458	S	S	.	.			trans	-95.4	110.4	172.8	-65.3	-91.3	0	0	0	107.4	L350 G354 V388	L350-F352 HydrophobicContact CB-CD2 4.42Å; L350-F352 HydrophobicContact CB-CE2 3.73Å; L350-F352 HydrophobicContact CB-CZ 4.23Å; F352-G354 PolarHBondContact O-N 3.29Å; F352-V388 HydrophobicContact CD1-CB 3.75Å; F352-V388 HydrophobicContact CD1-CG1 4.03Å; F352-V388 HydrophobicContact CD1-CG2 3.92Å; F352-V388 HydrophobicContact CE1-CB 3.85Å; F352-V388 HydrophobicContact CE1-CG1 3.87Å; F352-V388 HydrophobicContact CE1-CG2 3.64Å; F352-V388 HydrophobicContact CG-CB 4.5Å; F352-V388 HydrophobicContact CG-CG2 4.49Å; F352-V388 HydrophobicContact CZ-CG2 3.98Å
353	P	58.2	Low	50.7	Low	13 Å²	13	93.4 Å²	93.4	8%	0.084	48%	0.476	C	S	.	.			trans	-60.9	107	167.3	23.3	-25.9	0	0	0	106.3	W351 F355 I387 V388 N390	W351-P353 HydrophobicContact CE3-CB 4.37Å; W351-P353 HydrophobicContact CH2-CB 3.82Å; W351-P353 HydrophobicContact CZ2-CB 4.49Å; W351-P353 HydrophobicContact CZ3-CB 3.75Å; W351-P353 HydrophobicContact CZ3-CG 4.33Å; W351-P353 WeakPolarHBondContact O-CD 3.36Å; P353-F355 HydrophobicContact CB-CD2 3.67Å; P353-F355 HydrophobicContact CB-CE2 4.34Å; P353-F355 PolarHBondContact O-N 3.21Å; P353-I387 HydrophobicContact CG-CG1 4.32Å; P353-V388 WeakPolarHBondContact CD-O 3.38Å; P353-V388 WeakPolarHBondContact CG-O 3.43Å; P353-N390 PolarHBondContact O-OD1 3.31Å
354	G	46.8	Very low	50.5	Low	54 Å²	54	89.2 Å²	89.2	56%	0.557	46%	0.464	S	S	*	.			trans	-65.4	22.2	178.2	0	0	0	0	0	114.5	F352	F352-G354 PolarHBondContact O-N 3.29Å
355	F	44.9	Very low	50.2	Low	39 Å²	39	85.4 Å²	85.4	17%	0.171	44%	0.435	C	S	.	.			trans	-106	84.6	-161	-58.7	-76.6	0	0	0	112.1	F96 W351 P353 V357 N390	F96-F355 HydrophobicContact CD1-CD1 4.28Å; F96-F355 HydrophobicContact CD1-CE1 4.02Å; F96-F355 AromaticContact CE1-CD1 3.5Å; F96-F355 HydrophobicContact CE1-CD1 3.5Å; F96-F355 AromaticContact CE1-CE1 3.56Å; F96-F355 HydrophobicContact CE1-CE1 3.56Å; F96-F355 HydrophobicContact CZ-CD1 4.43Å; W351-F355 HydrophobicContact CH2-CE2 4.05Å; W351-F355 HydrophobicContact CZ2-CE2 4.08Å; P353-F355 HydrophobicContact CB-CD2 3.67Å; P353-F355 HydrophobicContact CB-CE2 4.34Å; P353-F355 PolarHBondContact O-N 3.21Å; F355-V357 PolarHBondContact O-N 3.24Å; F355-N390 PolarHBondContact O-ND2 3.21Å
356	S	32.7	Very low	49.8	Very low	88 Å²	88	85.7 Å²	85.7	62%	0.615	44%	0.437	S	S	*	.			trans	-91.1	83.3	156	177.1	0	0	0	0	109.3
357	V	35.3	Very low	49.5	Very low	81 Å²	81	87.9 Å²	87.9	49%	0.491	45%	0.445	S	S	.	.			trans	-123.3	125.2	174.8	-160.3	0	0	0	0	110.8	F355 S359	F355-V357 PolarHBondContact O-N 3.24Å; V357-S359 WeakPolarHBondContact CG1-OG 3.31Å; V357-S359 PolarHBondContact O-N 2.89Å
358	K	37.4	Very low	49.4	Very low	215 Å²	215	82.9 Å²	82.9	94%	0.935	42%	0.42	S	S	*	.			trans	-70.4	4	174.7	-72.9	179.1	175.5	176.3	0	113
359	S	35.3	Very low	49.1	Very low	59 Å²	59	82 Å²	82	41%	0.413	42%	0.419	S	S	.	.			trans	-85.9	122.9	177.5	58.1	0	0	0	0	109.5	V357 I361	V357-S359 WeakPolarHBondContact CG1-OG 3.31Å; V357-S359 PolarHBondContact O-N 2.89Å; S359-I361 PolarHBondContact O-N 3.37Å
360	K	36.8	Very low	49.3	Very low	216 Å²	216	79.7 Å²	79.7	94%	0.939	40%	0.404	S	S	*	.			trans	-70.7	24.6	175.2	-78.6	-178.3	172.8	177.8	0	113
361	I	30.9	Very low	49.3	Very low	112 Å²	112	79.7 Å²	79.7	57%	0.574	41%	0.407	S	S	*	.			trans	-106.1	120.1	-166.7	-61	171.8	0	0	0	109.6	S359	S359-I361 PolarHBondContact O-N 3.37Å
362	S	39.4	Very low	49.3	Very low	45 Å²	45	78.8 Å²	78.8	32%	0.315	41%	0.405	S	S	.	.			trans	74.2	103	168.1	-60.1	0	0	0	0	117.9	S87 S364 H365	S87-S362 WeakPolarHBondContact OG-CB 2.92Å; S87-S362 PolarHBondContact OG-OG 3.17Å; S362-S364 PolarHBondContact O-N 2.81Å; S362-H365 PolarHBondContact O-N 3.17Å; S362-H365 PolarHBondContact O-ND1 3.19Å
363	R	39.4	Very low	49.7	Very low	228 Å²	228	74.1 Å²	74.1	86%	0.86	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-52.7	-14.3	164.6	-68.9	175.8	174.5	163.2	-2.2	113.8	H365	R363-H365 PolarHBondContact O-N 2.89Å
364	S	42	Very low	50.3	Low	27 Å²	27	74 Å²	74	19%	0.189	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-64.1	-35.2	-179.6	62.7	0	0	0	0	113.2	S87 S362 Q366 Q367	S87-S364 PolarHBondContact OG-OG 3.41Å; S362-S364 PolarHBondContact O-N 2.81Å; S364-Q366 PolarHBondContact O-N 2.9Å; S364-Q366 VanDerWaalsContact O-N 3.15Å; S364-Q367 PolarHBondContact O-N 3.49Å
365	H	45.1	Very low	51.5	Low	47 Å²	47	75 Å²	75	22%	0.218	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-75.3	-2.2	-174.3	-55.7	109.9	0	0	0	114.6	S362 R363	S362-H365 PolarHBondContact O-N 3.17Å; S362-H365 PolarHBondContact O-ND1 3.19Å; R363-H365 PolarHBondContact O-N 2.89Å
366	Q	48.9	Very low	52.6	Low	147 Å²	147	73.4 Å²	73.4	69%	0.687	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-87.3	-10.7	172.9	-69.6	-175.7	-17.2	0	0	112.9	S364 I387	S364-Q366 PolarHBondContact O-N 2.9Å; S364-Q366 VanDerWaalsContact O-N 3.15Å; Q366-I387 WeakPolarHBondContact O-CD1 3.43Å
367	Q	57.9	Low	54.4	Low	65 Å²	65	69.2 Å²	69.2	30%	0.304	34%	0.341	S	S	.	.	S	Bend	trans	-91.9	133.6	-178.9	-65.7	-178.8	2.2	0	0	109.9	V298 A302 S364	V298-Q367 HydrophobicContact CG1-CB 4.35Å; V298-Q367 VanDerWaalsContact CG1-OE1 3.29Å; A302-Q367 HydrophobicContact CB-CG 4.4Å; S364-Q367 PolarHBondContact O-N 3.49Å
368	P	62.7	Low	55.9	Low	8 Å²	8	68.8 Å²	68.8	5%	0.052	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-64.9	157.3	177.2	25.2	-30.6	0	0	0	110.9	V305 W351 L372	V305-P368 HydrophobicContact CB-CG 3.91Å; V305-P368 HydrophobicContact CG1-CG 4.1Å; V305-P368 HydrophobicContact CG2-CB 4.45Å; V305-P368 HydrophobicContact CG2-CG 3.63Å; W351-P368 HydrophobicContact CD2-CB 4.26Å; W351-P368 HydrophobicContact CE3-CB 4.14Å; P368-L372 HydrophobicContact CB-CD2 4.02Å
369	P	66.2	Low	57.4	Low	27 Å²	27	64 Å²	64	18%	0.175	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-51	146.6	177.4	-25.8	33.3	0	0	0	112.4	V84 V371 L372 S373	V84-P369 HydrophobicContact CG2-CB 4.45Å; P369-V371 PolarHBondContact O-N 2.83Å; P369-L372 PolarHBondContact O-N 3.15Å; P369-L372 VanDerWaalsContact O-N 3.08Å; P369-S373 PolarHBondContact O-N 3.21Å; P369-S373 VanDerWaalsContact O-N 3.15Å; P369-S373 PolarHBondContact O-OG 3.44Å
370	L	73.2	Confident	58.7	Low	1 Å²	1	61.9 Å²	61.9	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-55.7	-40.9	-179.3	175	63.7	0	0	0	111	G83 Y222 F225 I297 V298 L301 L372 S373 A374	G83-L370 WeakPolarHBondContact O-CB 3.43Å; G83-L370 PolarHBondContact O-N 3.2Å; Y222-L370 HydrophobicContact CD1-CD2 4.33Å; Y222-L370 HydrophobicContact CE1-CD2 3.9Å; F225-L370 HydrophobicContact CD1-CD2 4Å; F225-L370 HydrophobicContact CD1-CG 4.17Å; F225-L370 HydrophobicContact CD2-CD2 3.91Å; F225-L370 HydrophobicContact CE1-CD2 4.02Å; F225-L370 HydrophobicContact CE1-CG 4.35Å; F225-L370 HydrophobicContact CE2-CD2 3.92Å; F225-L370 HydrophobicContact CG-CD2 3.95Å; F225-L370 HydrophobicContact CG-CG 4.43Å; F225-L370 HydrophobicContact CZ-CD2 3.99Å; I297-L370 HydrophobicContact CG2-CD1 4.21Å; V298-L370 HydrophobicContact CG2-CB 4.4Å; V298-L370 HydrophobicContact CG2-CD1 4Å; L301-L370 HydrophobicContact CD1-CD1 3.61Å; L370-L372 PolarHBondContact O-N 3.45Å; L370-S373 CarbonylContact O-C 3.33Å; L370-S373 PolarHBondContact O-N 2.89Å; L370-A374 WeakPolarHBondContact O-CB 3.34Å; L370-A374 PolarHBondContact O-N 2.85Å
371	V	70.3	Confident	59.9	Low	58 Å²	58	53.1 Å²	53.1	35%	0.352	27%	0.272	S	S	.	.	H	α-helix	trans	-54.9	-49.4	177.3	179.3	0	0	0	0	111.3	F225 P369 S373 A374 L375	F225-V371 HydrophobicContact CD1-CG2 3.8Å; F225-V371 HydrophobicContact CE1-CG2 3.56Å; P369-V371 PolarHBondContact O-N 2.83Å; V371-S373 VanDerWaalsContact C-N 3.28Å; V371-S373 PolarHBondContact O-N 3.43Å; V371-A374 PolarHBondContact O-N 3.29Å; V371-L375 HydrophobicContact CG1-CD1 3.98Å; V371-L375 HydrophobicContact CG1-CG 4.36Å; V371-L375 WeakPolarHBondContact O-CB 3.34Å; V371-L375 VanDerWaalsContact O-CG 3.27Å; V371-L375 WeakPolarHBondContact O-CG 3.49Å; V371-L375 PolarHBondContact O-N 2.76Å
372	L	68.7	Low	61.5	Low	27 Å²	27	56.3 Å²	56.3	14%	0.141	28%	0.276	C	S	.	.	H	α-helix	trans	-62.7	-40.5	-178.7	-168.8	152.5	0	0	0	110.8	V305 V349 W351 P368 P369 L370 S376 F385	V305-L372 HydrophobicContact CG2-CD2 3.79Å; V349-L372 HydrophobicContact CG1-CD1 4.44Å; W351-L372 HydrophobicContact CB-CD1 4Å; W351-L372 HydrophobicContact CG-CD1 4.18Å; P368-L372 HydrophobicContact CB-CD2 4.02Å; P369-L372 PolarHBondContact O-N 3.15Å; P369-L372 VanDerWaalsContact O-N 3.08Å; L370-L372 PolarHBondContact O-N 3.45Å; L372-S376 PolarHBondContact O-N 2.92Å; L372-F385 HydrophobicContact CD1-CD1 4.47Å; L372-F385 HydrophobicContact CD2-CB 4.04Å; L372-F385 HydrophobicContact CD2-CD1 3.33Å; L372-F385 HydrophobicContact CD2-CE1 4.05Å; L372-F385 HydrophobicContact CD2-CG 3.94Å; L372-F385 HydrophobicContact CG-CD1 3.69Å; L372-F385 HydrophobicContact CG-CE1 3.94Å
373	S	71.1	Confident	62.8	Low	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-71.1	-35.4	178.3	-48.8	0	0	0	0	112.3	L301 P369 L370 V371 S376	L301-S373 VanDerWaalsContact CB-CB 3.49Å; P369-S373 PolarHBondContact O-N 3.21Å; P369-S373 VanDerWaalsContact O-N 3.15Å; P369-S373 PolarHBondContact O-OG 3.44Å; L370-S373 CarbonylContact O-C 3.33Å; L370-S373 PolarHBondContact O-N 2.89Å; V371-S373 VanDerWaalsContact C-N 3.28Å; V371-S373 PolarHBondContact O-N 3.43Å; S373-S376 WeakPolarHBondContact O-CB 3.35Å; S373-S376 PolarHBondContact O-N 3.28Å; S373-S376 PolarHBondContact O-OG 2.78Å
374	A	71.5	Confident	64.3	Low	10 Å²	10	47.9 Å²	47.9	8%	0.083	24%	0.24	C	C	.	.	H	α-helix	trans	-69.6	-43.1	176	0	0	0	0	0	112	F227 L301 L370 V371 S376 V377	F227-A374 HydrophobicContact CE2-CB 4.29Å; L301-A374 HydrophobicContact CD1-CB 4.48Å; L370-A374 WeakPolarHBondContact O-CB 3.34Å; L370-A374 PolarHBondContact O-N 2.85Å; V371-A374 PolarHBondContact O-N 3.29Å; A374-S376 PolarHBondContact O-N 3.4Å; A374-V377 WeakPolarHBondContact O-CB 3.1Å; A374-V377 PolarHBondContact O-N 2.84Å
375	L	71.2	Confident	65.9	Low	74 Å²	74	47.3 Å²	47.3	39%	0.387	23%	0.234	S	C	.	.	H	α-helix	trans	-59.5	-28.2	175.3	-70.6	173	0	0	0	112.3	V371 V377 T378 Y379 F385	V371-L375 HydrophobicContact CG1-CD1 3.98Å; V371-L375 HydrophobicContact CG1-CG 4.36Å; V371-L375 WeakPolarHBondContact O-CB 3.34Å; V371-L375 VanDerWaalsContact O-CG 3.27Å; V371-L375 WeakPolarHBondContact O-CG 3.49Å; V371-L375 PolarHBondContact O-N 2.76Å; L375-V377 PolarHBondContact O-N 3.19Å; L375-V377 VanDerWaalsContact O-N 3.07Å; L375-T378 PolarHBondContact O-N 2.82Å; L375-T378 PolarHBondContact O-OG1 3.45Å; L375-T378 VanDerWaalsContact O-OG1 3.1Å; L375-Y379 HydrophobicContact CB-CD2 4.49Å; L375-Y379 HydrophobicContact CD2-CE2 4.1Å; L375-Y379 WeakPolarHBondContact O-CD2 3.37Å; L375-Y379 PolarHBondContact O-N 2.93Å; L375-F385 HydrophobicContact CB-CZ 4.07Å
376	S	69.6	Low	67.3	Low	6 Å²	6	45.6 Å²	45.6	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-63.3	-14	175.1	83.3	0	0	0	0	114.2	R304 L372 S373 A374 T380	R304-S376 VanDerWaalsContact CB-OG 3.31Å; R304-S376 WeakPolarHBondContact CB-OG 3.44Å; R304-S376 WeakPolarHBondContact CD-OG 3.43Å; L372-S376 PolarHBondContact O-N 2.92Å; S373-S376 WeakPolarHBondContact O-CB 3.35Å; S373-S376 PolarHBondContact O-N 3.28Å; S373-S376 PolarHBondContact O-OG 2.78Å; A374-S376 PolarHBondContact O-N 3.4Å; S376-T380 WeakPolarHBondContact O-CG2 3.48Å; S376-T380 PolarHBondContact O-N 3.35Å
377	V	70.5	Confident	68.4	Low	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-83.9	-46.5	176	179.6	0	0	0	0	112.2	V177 P256 K263 L301 A374 L375 Y379 T380	V177-V377 HydrophobicContact CG2-CB 3.66Å; V177-V377 HydrophobicContact CG2-CG1 3.55Å; V177-V377 HydrophobicContact CG2-CG2 3.42Å; V177-V377 VanDerWaalsContact CG2-CG2 3.42Å; P256-V377 HydrophobicContact CG-CG1 3.97Å; K263-V377 WeakPolarHBondContact CE-O 3.41Å; K263-V377 PolarHBondContact NZ-O 2.91Å; L301-V377 HydrophobicContact CD2-CG2 3.96Å; A374-V377 WeakPolarHBondContact O-CB 3.1Å; A374-V377 PolarHBondContact O-N 2.84Å; L375-V377 PolarHBondContact O-N 3.19Å; L375-V377 VanDerWaalsContact O-N 3.07Å; V377-Y379 VanDerWaalsContact C-N 3.33Å; V377-Y379 PolarHBondContact O-N 3.47Å; V377-T380 WeakPolarHBondContact O-CG2 3.5Å; V377-T380 PolarHBondContact O-OG1 3.47Å
378	T	66.8	Low	68.9	Low	73 Å²	73	37.5 Å²	37.5	45%	0.448	19%	0.189	S	C	.	.	H	α-helix	trans	-68.4	-38.3	-177.8	50.7	0	0	0	0	110.7	K263 L375	K263-T378 PolarHBondContact NZ-O 3.45Å; L375-T378 PolarHBondContact O-N 2.82Å; L375-T378 PolarHBondContact O-OG1 3.45Å; L375-T378 VanDerWaalsContact O-OG1 3.1Å
379	Y	67.4	Low	68.9	Low	113 Å²	113	38.9 Å²	38.9	44%	0.443	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	14.7	-177.2	-61.2	-79	0	0	0	115.1	L375 V377 G381 R382 V383	L375-Y379 HydrophobicContact CB-CD2 4.49Å; L375-Y379 HydrophobicContact CD2-CE2 4.1Å; L375-Y379 WeakPolarHBondContact O-CD2 3.37Å; L375-Y379 PolarHBondContact O-N 2.93Å; V377-Y379 VanDerWaalsContact C-N 3.33Å; V377-Y379 PolarHBondContact O-N 3.47Å; Y379-G381 PolarHBondContact O-N 3.26Å; Y379-R382 PolarHBondContact O-N 3.41Å; Y379-V383 VanDerWaalsContact CB-CG2 3.5Å; Y379-V383 HydrophobicContact CD1-CG2 4.16Å; Y379-V383 HydrophobicContact CG-CG2 3.9Å; Y379-V383 PolarHBondContact O-N 2.89Å
380	T	63.9	Low	68.5	Low	16 Å²	16	40.2 Å²	40.2	10%	0.098	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-47.3	125.7	176.3	47.6	0	0	0	0	111.7	K263 S376 V377 R382	K263-T380 WeakPolarHBondContact CE-OG1 3.39Å; K263-T380 WeakPolarHBondContact CG-OG1 3.26Å; S376-T380 WeakPolarHBondContact O-CG2 3.48Å; S376-T380 PolarHBondContact O-N 3.35Å; V377-T380 WeakPolarHBondContact O-CG2 3.5Å; V377-T380 PolarHBondContact O-OG1 3.47Å; T380-R382 VanDerWaalsContact C-N 3.27Å; T380-R382 PolarHBondContact O-N 3.49Å
381	G	60.7	Low	67.6	Low	32 Å²	32	47 Å²	47	33%	0.33	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-21.4	-179.3	0	0	0	0	0	114.8	Y379	Y379-G381 PolarHBondContact O-N 3.26Å
382	R	64.1	Low	66.6	Low	179 Å²	179	45.2 Å²	45.2	68%	0.675	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-30.1	173.8	-62.8	-174.8	-172.8	171.1	2.2	113	P346 I347 Y379 T380	P346-R382 CarbonylContact C-O 3.53Å; P346-R382 WeakPolarHBondContact CA-O 3.34Å; P346-R382 WeakPolarHBondContact CB-O 3.36Å; I347-R382 PolarHBondContact N-O 2.78Å; Y379-R382 PolarHBondContact O-N 3.41Å; T380-R382 VanDerWaalsContact C-N 3.27Å; T380-R382 PolarHBondContact O-N 3.49Å
383	V	66.9	Low	65.6	Low	20 Å²	20	46.2 Å²	46.2	12%	0.121	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.4	178.3	-175.3	0	0	0	0	108.6	I347 V349 Y379 F385	I347-V383 HydrophobicContact CB-CG2 4.14Å; I347-V383 CarbonylContact O-C 3.58Å; I347-V383 WeakPolarHBondContact O-CA 3.19Å; I347-V383 WeakPolarHBondContact O-CG1 3.09Å; V349-V383 HydrophobicContact CB-CG1 4.28Å; V349-V383 HydrophobicContact CG2-CG1 3.54Å; Y379-V383 VanDerWaalsContact CB-CG2 3.5Å; Y379-V383 HydrophobicContact CD1-CG2 4.16Å; Y379-V383 HydrophobicContact CG-CG2 3.9Å; Y379-V383 PolarHBondContact O-N 2.89Å; V383-F385 HydrophobicContact CB-CE2 3.81Å; V383-F385 HydrophobicContact CB-CZ 4.23Å; V383-F385 HydrophobicContact CG1-CD2 3.99Å; V383-F385 HydrophobicContact CG1-CE1 4.12Å; V383-F385 HydrophobicContact CG1-CE2 3.39Å; V383-F385 HydrophobicContact CG1-CZ 3.51Å
384	R	72.1	Confident	64.4	Low	76 Å²	76	52.6 Å²	52.6	29%	0.287	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.7	173	-69.7	-174.3	-173.9	-127.6	1.2	108.7	E260 P346 I347 H348 V349 W386	E260-R384 IonicContact OE1-NH1 3.18Å; P346-R384 HydrophobicContact CB-CG 3.96Å; P346-R384 HydrophobicContact CG-CG 4.1Å; I347-R384 PolarHBondContact O-N 2.95Å; H348-R384 CarbonylContact C-O 3.58Å; H348-R384 WeakPolarHBondContact CA-O 3.29Å; V349-R384 PolarHBondContact N-O 3.3Å; R384-W386 HydrophobicContact CB-CZ2 4.27Å; R384-W386 VanDerWaalsContact O-CD1 3.23Å; R384-W386 PolarHBondContact O-NE1 2.78Å
385	F	76	Confident	63.1	Low	15 Å²	15	58.6 Å²	58.6	7%	0.066	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.7	179.6	-65.6	-91.3	0	0	0	110	V305 K306 V349 L372 L375 V383	V305-F385 HydrophobicContact CB-CB 4.4Å; V305-F385 HydrophobicContact CG1-CB 4.23Å; V305-F385 HydrophobicContact CG2-CB 3.88Å; K306-F385 PolarHBondContact N-O 2.83Å; V349-F385 HydrophobicContact CB-CD1 3.6Å; V349-F385 HydrophobicContact CB-CE1 3.78Å; V349-F385 HydrophobicContact CB-CG 4.4Å; V349-F385 HydrophobicContact CG1-CD1 3.69Å; V349-F385 HydrophobicContact CG1-CE1 3.83Å; V349-F385 HydrophobicContact CG2-CD1 4.26Å; V349-F385 HydrophobicContact CG2-CE1 3.94Å; V349-F385 HydrophobicContact CG2-CZ 4.47Å; V349-F385 CarbonylContact O-C 3.54Å; V349-F385 WeakPolarHBondContact O-CA 3.35Å; L372-F385 HydrophobicContact CD1-CD1 4.47Å; L372-F385 HydrophobicContact CD2-CB 4.04Å; L372-F385 HydrophobicContact CD2-CD1 3.33Å; L372-F385 HydrophobicContact CD2-CE1 4.05Å; L372-F385 HydrophobicContact CD2-CG 3.94Å; L372-F385 HydrophobicContact CG-CD1 3.69Å; L372-F385 HydrophobicContact CG-CE1 3.94Å; L375-F385 HydrophobicContact CB-CZ 4.07Å; V383-F385 HydrophobicContact CB-CE2 3.81Å; V383-F385 HydrophobicContact CB-CZ 4.23Å; V383-F385 HydrophobicContact CG1-CD2 3.99Å; V383-F385 HydrophobicContact CG1-CE1 4.12Å; V383-F385 HydrophobicContact CG1-CE2 3.39Å; V383-F385 HydrophobicContact CG1-CZ 3.51Å
386	W	74.2	Confident	61.6	Low	11 Å²	11	58.9 Å²	58.9	4%	0.042	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.4	-177	-57.5	90.3	0	0	0	110.1	K306 L308 S313 I314 H348 V349 L350 W351 R384	K306-W386 HydrophobicContact CB-CE3 3.88Å; K306-W386 HydrophobicContact CB-CZ3 3.89Å; K306-W386 HydrophobicContact CD-CZ3 4.45Å; K306-W386 CarbonylContact O-C 3.58Å; K306-W386 VanDerWaalsContact O-CA 3.22Å; K306-W386 WeakPolarHBondContact O-CA 3.39Å; L308-W386 HydrophobicContact CB-CB 4.17Å; L308-W386 HydrophobicContact CB-CE3 4.04Å; L308-W386 HydrophobicContact CD1-CD2 4.31Å; L308-W386 HydrophobicContact CD1-CE3 3.92Å; L308-W386 HydrophobicContact CD1-CZ3 4.24Å; S313-W386 WeakPolarHBondContact O-CH2 3.32Å; S313-W386 WeakPolarHBondContact OG-CH2 3.42Å; S313-W386 VanDerWaalsContact OG-CZ3 3.27Å; S313-W386 WeakPolarHBondContact OG-CZ3 3.32Å; I314-W386 HydrophobicContact CD1-CG 4.42Å; I314-W386 HydrophobicContact CG1-CD2 4.28Å; I314-W386 HydrophobicContact CG1-CZ2 4.08Å; H348-W386 AromaticContact CE1-NE1 3.96Å; H348-W386 AromaticContact CG-NE1 3.79Å; H348-W386 AromaticContact ND1-CD1 3.92Å; H348-W386 AromaticContact ND1-CE2 3.65Å; H348-W386 AromaticContact ND1-CZ2 3.88Å; H348-W386 AromaticContact ND1-NE1 2.95Å; H348-W386 PolarHBondContact ND1-NE1 2.76Å; V349-W386 PolarHBondContact O-N 2.81Å; L350-W386 HydrophobicContact CD2-CB 4.11Å; W351-W386 PolarHBondContact N-O 3.38Å; R384-W386 HydrophobicContact CB-CZ2 4.27Å; R384-W386 VanDerWaalsContact O-CD1 3.23Å; R384-W386 PolarHBondContact O-NE1 2.78Å
387	I	72.5	Confident	60	Low	29 Å²	29	62.6 Å²	62.6	15%	0.149	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.7	164.6	179	168.6	0	0	0	107.9	V305 K306 P307 L308 W351 P353 Q366 P389	V305-I387 HydrophobicContact CG1-CB 3.99Å; V305-I387 HydrophobicContact CG1-CG2 4.22Å; K306-I387 PolarHBondContact O-N 2.63Å; P307-I387 CarbonylContact C-O 3.6Å; P307-I387 WeakPolarHBondContact CA-O 3.13Å; P307-I387 HydrophobicContact CB-CG2 4.16Å; L308-I387 PolarHBondContact N-O 3.13Å; W351-I387 HydrophobicContact CE3-CB 4.3Å; W351-I387 HydrophobicContact CE3-CD1 3.72Å; W351-I387 HydrophobicContact CE3-CG1 3.71Å; W351-I387 HydrophobicContact CZ3-CD1 3.5Å; W351-I387 VanDerWaalsContact CZ3-CD1 3.5Å; W351-I387 HydrophobicContact CZ3-CG1 3.98Å; P353-I387 HydrophobicContact CG-CG1 4.32Å; Q366-I387 WeakPolarHBondContact O-CD1 3.43Å; I387-P389 WeakPolarHBondContact O-CD 3.42Å
388	V	66.5	Low	58.5	Low	12 Å²	12	68.3 Å²	68.3	7%	0.073	34%	0.341	C	S	.	.			trans	-90.7	110.7	177.5	-175.3	0	0	0	0	108.6	L308 L350 W351 F352 P353 N390 V393	L308-V388 HydrophobicContact CB-CG2 4.38Å; L308-V388 HydrophobicContact CD2-CG2 4.06Å; L350-V388 HydrophobicContact CD2-CG2 3.78Å; W351-V388 PolarHBondContact O-N 3.35Å; F352-V388 HydrophobicContact CD1-CB 3.75Å; F352-V388 HydrophobicContact CD1-CG1 4.03Å; F352-V388 HydrophobicContact CD1-CG2 3.92Å; F352-V388 HydrophobicContact CE1-CB 3.85Å; F352-V388 HydrophobicContact CE1-CG1 3.87Å; F352-V388 HydrophobicContact CE1-CG2 3.64Å; F352-V388 HydrophobicContact CG-CB 4.5Å; F352-V388 HydrophobicContact CG-CG2 4.49Å; F352-V388 HydrophobicContact CZ-CG2 3.98Å; P353-V388 WeakPolarHBondContact CD-O 3.38Å; P353-V388 WeakPolarHBondContact CG-O 3.43Å; V388-N390 PolarHBondContact O-N 3.35Å; V388-V393 HydrophobicContact CG1-CG2 3.9Å
389	P	63.3	Low	57.1	Low	37 Å²	37	67.2 Å²	67.2	24%	0.24	34%	0.34	C	S	.	.			trans	-63.6	140.6	-178.4	-17.5	30.4	0	0	0	111	L308 I387 E391 A392 V393	L308-P389 VanDerWaalsContact O-CD 3.3Å; L308-P389 WeakPolarHBondContact O-CD 3.23Å; I387-P389 WeakPolarHBondContact O-CD 3.42Å; P389-E391 PolarHBondContact O-N 3.44Å; P389-E391 VanDerWaalsContact O-N 3.07Å; P389-A392 WeakPolarHBondContact O-CB 3.42Å; P389-A392 PolarHBondContact O-N 2.98Å; P389-V393 PolarHBondContact O-N 3.31Å
390	N	59	Low	55.6	Low	56 Å²	56	64.6 Å²	64.6	30%	0.299	33%	0.333	S	S	.	.	H	α-helix	trans	-53.7	-32.2	177.7	-72.4	-37.1	0	0	0	113.8	P353 F355 V388 V393 K394	P353-N390 PolarHBondContact O-OD1 3.31Å; F355-N390 PolarHBondContact O-ND2 3.21Å; V388-N390 PolarHBondContact O-N 3.35Å; N390-V393 PolarHBondContact O-N 3.28Å; N390-K394 WeakPolarHBondContact O-CG 3.36Å; N390-K394 PolarHBondContact O-N 3.2Å; N390-K394 VanDerWaalsContact O-N 3.09Å
391	E	54.1	Low	54.4	Low	142 Å²	142	69.7 Å²	69.7	66%	0.664	36%	0.358	S	S	*	.	H	α-helix	trans	-65.8	-38.1	177.5	-62.3	-173.8	168.9	0	0	112.2	P389 V393 K394 Q395	P389-E391 PolarHBondContact O-N 3.44Å; P389-E391 VanDerWaalsContact O-N 3.07Å; E391-V393 VanDerWaalsContact C-N 3.3Å; E391-V393 PolarHBondContact O-N 3.29Å; E391-K394 PolarHBondContact O-N 2.78Å; E391-Q395 WeakPolarHBondContact O-CB 3.42Å; E391-Q395 WeakPolarHBondContact O-CG 3.48Å; E391-Q395 PolarHBondContact O-N 2.63Å
392	A	47.8	Very low	53.4	Low	21 Å²	21	74.5 Å²	74.5	17%	0.174	38%	0.377	C	S	.	.	H	α-helix	trans	-66.7	-35.2	177.3	0	0	0	0	0	111.3	P389 N396	P389-A392 WeakPolarHBondContact O-CB 3.42Å; P389-A392 PolarHBondContact O-N 2.98Å; A392-N396 WeakPolarHBondContact O-CB 3.48Å; A392-N396 PolarHBondContact O-N 3.44Å; A392-N396 PolarHBondContact O-ND2 3.08Å
393	V	48.5	Very low	52.1	Low	48 Å²	48	72 Å²	72	29%	0.291	38%	0.377	S	S	.	.	H	α-helix	trans	-63.1	-48.8	172.4	-175.5	0	0	0	0	109.8	V388 P389 N390 E391 H397	V388-V393 HydrophobicContact CG1-CG2 3.9Å; P389-V393 PolarHBondContact O-N 3.31Å; N390-V393 PolarHBondContact O-N 3.28Å; E391-V393 VanDerWaalsContact C-N 3.3Å; E391-V393 PolarHBondContact O-N 3.29Å; V393-H397 PolarHBondContact O-CD2 2.67Å
394	K	46.5	Very low	50.4	Low	134 Å²	134	75.7 Å²	75.7	58%	0.583	39%	0.391	S	S	*	.	H	α-helix	trans	-66.7	-42.2	-177.8	-71.4	178.6	-178.6	179.1	0	114.1	N390 E391	N390-K394 WeakPolarHBondContact O-CG 3.36Å; N390-K394 PolarHBondContact O-N 3.2Å; N390-K394 VanDerWaalsContact O-N 3.09Å; E391-K394 PolarHBondContact O-N 2.78Å
395	Q	43.6	Very low	48.8	Very low	136 Å²	136	79.6 Å²	79.6	64%	0.636	42%	0.418	S	S	*	.	H	α-helix	trans	-73.1	-36.5	-176.2	-71.6	179.1	9.8	0	0	112.4	E391 T398	E391-Q395 WeakPolarHBondContact O-CB 3.42Å; E391-Q395 WeakPolarHBondContact O-CG 3.48Å; E391-Q395 PolarHBondContact O-N 2.63Å; Q395-T398 PolarHBondContact O-OG1 3.1Å
396	N	40.1	Very low	46.8	Very low	80 Å²	80	84.6 Å²	84.6	43%	0.428	45%	0.445	S	S	.	.	H	α-helix	trans	-80.3	-17.3	-173.5	-73.5	-27.7	0	0	0	113.8	A392 T398 A399 I400	A392-N396 WeakPolarHBondContact O-CB 3.48Å; A392-N396 PolarHBondContact O-N 3.44Å; A392-N396 PolarHBondContact O-ND2 3.08Å; N396-T398 PolarHBondContact O-N 3.21Å; N396-T398 VanDerWaalsContact O-N 3.14Å; N396-A399 PolarHBondContact O-N 2.61Å; N396-I400 HydrophobicContact CB-CD1 3.38Å; N396-I400 HydrophobicContact CB-CG1 3.8Å; N396-I400 WeakPolarHBondContact O-CB 3.4Å; N396-I400 WeakPolarHBondContact O-CD1 3.19Å; N396-I400 WeakPolarHBondContact O-CG1 3.12Å; N396-I400 PolarHBondContact O-N 3.41Å
397	H	36.6	Very low	44.9	Very low	84 Å²	84	89.1 Å²	89.1	39%	0.389	46%	0.462	S	S	.	.	H	α-helix	trans	-59.4	-28.3	178.3	-81.4	-65.4	0	0	0	114.6	V393	V393-H397 PolarHBondContact O-CD2 2.67Å
398	T	38	Very low	43	Very low	120 Å²	120	90.8 Å²	90.8	74%	0.736	48%	0.475	S	S	*	.	H	α-helix	trans	-80.7	-24.8	175.7	52.4	0	0	0	0	113.2	Q395 N396	Q395-T398 PolarHBondContact O-OG1 3.1Å; N396-T398 PolarHBondContact O-N 3.21Å; N396-T398 VanDerWaalsContact O-N 3.14Å
399	A	37.8	Very low	41.6	Very low	51 Å²	51	92.7 Å²	92.7	42%	0.421	48%	0.484	S	S	.	.	H	α-helix	trans	-96.9	-26.2	179.6	0	0	0	0	0	113.4	N396 I401 N402	N396-A399 PolarHBondContact O-N 2.61Å; A399-I401 VanDerWaalsContact C-N 3.32Å; A399-I401 PolarHBondContact O-N 3.36Å; A399-N402 PolarHBondContact O-N 3.1Å
400	I	35.4	Very low	40.3	Very low	58 Å²	58	95.3 Å²	95.3	30%	0.297	50%	0.5	S	S	.	.	H	α-helix	trans	-66.4	-34.1	-177.4	-76.5	166.3	0	0	0	111	N396 N402 N403 F404	N396-I400 HydrophobicContact CB-CD1 3.38Å; N396-I400 HydrophobicContact CB-CG1 3.8Å; N396-I400 WeakPolarHBondContact O-CB 3.4Å; N396-I400 WeakPolarHBondContact O-CD1 3.19Å; N396-I400 WeakPolarHBondContact O-CG1 3.12Å; N396-I400 PolarHBondContact O-N 3.41Å; I400-N402 PolarHBondContact O-N 3.23Å; I400-N403 PolarHBondContact O-N 2.89Å; I400-N403 VanDerWaalsContact O-N 3.16Å; I400-F404 HydrophobicContact CG2-CE1 4Å; I400-F404 HydrophobicContact CG2-CE2 4.24Å; I400-F404 HydrophobicContact CG2-CZ 3.8Å; I400-F404 WeakPolarHBondContact O-CD2 2.9Å
401	I	37.9	Very low	39.2	Very low	122 Å²	122	98.6 Å²	98.6	63%	0.626	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.6	179.7	-61.3	174.5	0	0	0	111.9	A399	A399-I401 VanDerWaalsContact C-N 3.32Å; A399-I401 PolarHBondContact O-N 3.36Å
402	N	40.9	Very low	38.3	Very low	133 Å²	133	95.9 Å²	95.9	71%	0.711	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-8.1	-175.9	-68.2	-18.9	0	0	0	114.8	A399 I400	A399-N402 PolarHBondContact O-N 3.1Å; I400-N402 PolarHBondContact O-N 3.23Å
403	N	36.1	Very low	37.8	Very low	128 Å²	128	97 Å²	97	68%	0.684	52%	0.52	S	S	*	.			trans	-127.3	25	-170.5	-84.4	-21.5	0	0	0	114.8	I400 N405	I400-N403 PolarHBondContact O-N 2.89Å; I400-N403 VanDerWaalsContact O-N 3.16Å; N403-N405 PolarHBondContact O-N 2.96Å
404	F	32.7	Very low	37.2	Very low	96 Å²	96	96.1 Å²	96.1	42%	0.421	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-55	-21.3	178.5	-83.3	-73.4	0	0	0	115.3	I400 N406 W407	I400-F404 HydrophobicContact CG2-CE1 4Å; I400-F404 HydrophobicContact CG2-CE2 4.24Å; I400-F404 HydrophobicContact CG2-CZ 3.8Å; I400-F404 WeakPolarHBondContact O-CD2 2.9Å; F404-N406 PolarHBondContact O-N 3.07Å; F404-N406 VanDerWaalsContact O-N 3.07Å; F404-W407 PolarHBondContact O-N 3Å
405	N	36.6	Very low	36.6	Very low	158 Å²	158	93.5 Å²	93.5	85%	0.845	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-70.9	-6.1	-173	-66.9	-6.1	0	0	0	115.7	N403	N403-N405 PolarHBondContact O-N 2.96Å
406	N	35.4	Very low	36.5	Very low	120 Å²	120	90.9 Å²	90.9	64%	0.642	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-119.5	15.3	-179	-71.4	-13.2	0	0	0	114	F404 P408	F404-N406 PolarHBondContact O-N 3.07Å; F404-N406 VanDerWaalsContact O-N 3.07Å; N406-P408 WeakPolarHBondContact O-CD 3.21Å
407	W	33.2	Very low	36.2	Very low	106 Å²	106	89.7 Å²	89.7	40%	0.402	50%	0.495	S	S	.	.			trans	-93.4	109	176.6	-164.2	-83.4	0	0	0	110.2	I311 F404 I409	I311-W407 HydrophobicContact CD1-CH2 4.46Å; I311-W407 HydrophobicContact CD1-CZ3 4.35Å; F404-W407 PolarHBondContact O-N 3Å; W407-I409 VanDerWaalsContact C-N 3.32Å; W407-I409 HydrophobicContact CZ2-CD1 4.37Å; W407-I409 PolarHBondContact O-N 3.42Å
408	P	33.6	Very low	36	Very low	64 Å²	64	89.2 Å²	89.2	42%	0.416	49%	0.493	S	S	.	.			trans	-96.6	33.9	-167.9	39.4	-34.9	0	0	0	112.9	Y315 N406	Y315-P408 HydrophobicContact CD1-CG 4.33Å; Y315-P408 HydrophobicContact CD2-CG 3.93Å; Y315-P408 HydrophobicContact CE1-CG 3.95Å; Y315-P408 HydrophobicContact CE2-CG 3.53Å; Y315-P408 HydrophobicContact CG-CG 4.32Å; N406-P408 WeakPolarHBondContact O-CD 3.21Å
409	I	36.6	Very low	36	Very low	52 Å²	52	87.5 Å²	87.5	27%	0.267	48%	0.48	S	S	.	.	S	Bend	trans	-90.2	143.2	168.3	-65	-172.3	0	0	0	106.4	W407 S413 I414	W407-I409 VanDerWaalsContact C-N 3.32Å; W407-I409 HydrophobicContact CZ2-CD1 4.37Å; W407-I409 PolarHBondContact O-N 3.42Å; I409-S413 WeakPolarHBondContact CG2-OG 3.41Å; I409-I414 HydrophobicContact CB-CG1 3.88Å; I409-I414 HydrophobicContact CG2-CG1 4.08Å; I409-I414 WeakPolarHBondContact O-CD1 3.21Å; I409-I414 WeakPolarHBondContact O-CG1 3.36Å
410	T	37	Very low	35.9	Very low	92 Å²	92	93.1 Å²	93.1	56%	0.564	50%	0.495	S	S	*	.			trans	-57	148.9	179	55.3	0	0	0	0	109.9	S412 S413 I414	T410-S412 CarbonylContact O-C 3.42Å; T410-S412 PolarHBondContact O-N 3.35Å; T410-S413 PolarHBondContact O-N 3.33Å; T410-S413 PolarHBondContact OG1-N 3.49Å; T410-S413 PolarHBondContact OG1-OG 3.4Å; T410-I414 PolarHBondContact O-N 2.87Å
411	D	35.1	Very low	36	Very low	126 Å²	126	93 Å²	93	67%	0.674	50%	0.498	S	S	*	.	H	α-helix	trans	-50.7	-32.7	176.7	-66.5	-33.7	0	0	0	111.3	N415	D411-N415 WeakPolarHBondContact O-CA 3.48Å; D411-N415 WeakPolarHBondContact O-CB 3.02Å; D411-N415 PolarHBondContact O-N 2.96Å; D411-N415 PolarHBondContact O-ND2 2.78Å; D411-N415 VanDerWaalsContact O-ND2 3.14Å; D411-N415 PolarHBondContact O-OD1 3.41Å
412	S	35	Very low	35.8	Very low	84 Å²	84	89.1 Å²	89.1	59%	0.587	48%	0.478	S	S	*	.	H	α-helix	trans	-57.2	-52.1	171	154.3	0	0	0	0	113.7	T410 N415 T416	T410-S412 CarbonylContact O-C 3.42Å; T410-S412 PolarHBondContact O-N 3.35Å; S412-N415 CarbonylContact O-C 3.36Å; S412-N415 WeakPolarHBondContact O-CB 3.1Å; S412-N415 PolarHBondContact O-N 3.23Å; S412-T416 PolarHBondContact O-N 2.91Å; S412-T416 PolarHBondContact O-OG1 3.18Å
413	S	37.4	Very low	35.4	Very low	44 Å²	44	90.6 Å²	90.6	31%	0.308	48%	0.483	S	S	.	.	H	α-helix	trans	-84.4	-20.2	-178.6	22.6	0	0	0	0	113.2	I409 T410 V417	I409-S413 WeakPolarHBondContact CG2-OG 3.41Å; T410-S413 PolarHBondContact O-N 3.33Å; T410-S413 PolarHBondContact OG1-N 3.49Å; T410-S413 PolarHBondContact OG1-OG 3.4Å; S413-V417 WeakPolarHBondContact O-CB 3.29Å; S413-V417 VanDerWaalsContact O-CG2 3.26Å; S413-V417 WeakPolarHBondContact O-CG2 3.24Å; S413-V417 PolarHBondContact O-N 3.22Å
414	I	35.5	Very low	35.3	Very low	30 Å²	30	89.1 Å²	89.1	15%	0.154	48%	0.483	C	S	.	.	H	α-helix	trans	-62.5	-49.3	161	-67.4	176.2	0	0	0	108.6	I409 T410 T416 V417 H418	I409-I414 HydrophobicContact CB-CG1 3.88Å; I409-I414 HydrophobicContact CG2-CG1 4.08Å; I409-I414 WeakPolarHBondContact O-CD1 3.21Å; I409-I414 WeakPolarHBondContact O-CG1 3.36Å; T410-I414 PolarHBondContact O-N 2.87Å; I414-T416 VanDerWaalsContact C-N 3.33Å; I414-T416 PolarHBondContact O-N 3.41Å; I414-V417 CarbonylContact O-C 3.58Å; I414-V417 PolarHBondContact O-N 2.85Å; I414-H418 WeakPolarHBondContact O-CA 3.46Å; I414-H418 WeakPolarHBondContact O-CB 3.35Å; I414-H418 PolarHBondContact O-N 3.45Å
415	N	35.3	Very low	35.3	Very low	79 Å²	79	92.1 Å²	92.1	42%	0.422	50%	0.495	S	S	.	.	H	α-helix	trans	-61.6	-40.8	177	-70.4	-17.6	0	0	0	110.3	D411 S412 V417 H418 D419	D411-N415 WeakPolarHBondContact O-CA 3.48Å; D411-N415 WeakPolarHBondContact O-CB 3.02Å; D411-N415 PolarHBondContact O-N 2.96Å; D411-N415 PolarHBondContact O-ND2 2.78Å; D411-N415 VanDerWaalsContact O-ND2 3.14Å; D411-N415 PolarHBondContact O-OD1 3.41Å; S412-N415 CarbonylContact O-C 3.36Å; S412-N415 WeakPolarHBondContact O-CB 3.1Å; S412-N415 PolarHBondContact O-N 3.23Å; N415-V417 PolarHBondContact O-N 3.1Å; N415-H418 CarbonylContact O-C 3.45Å; N415-H418 PolarHBondContact O-N 2.92Å; N415-D419 WeakPolarHBondContact O-CA 3.36Å; N415-D419 WeakPolarHBondContact O-CB 3.42Å; N415-D419 PolarHBondContact O-N 3.39Å
416	T	39.5	Very low	34.8	Very low	82 Å²	82	92 Å²	92	50%	0.503	48%	0.484	S	S	.	.	H	α-helix	trans	-62.6	-42.6	174.7	-39.9	0	0	0	0	112.7	S412 I414 F420	S412-T416 PolarHBondContact O-N 2.91Å; S412-T416 PolarHBondContact O-OG1 3.18Å; I414-T416 VanDerWaalsContact C-N 3.33Å; I414-T416 PolarHBondContact O-N 3.41Å; T416-F420 WeakPolarHBondContact O-CB 3.33Å; T416-F420 PolarHBondContact O-N 2.99Å
417	V	34.4	Very low	34.3	Very low	55 Å²	55	94.8 Å²	94.8	33%	0.333	49%	0.494	S	S	.	.	H	α-helix	trans	-72	-37.3	177.8	171.8	0	0	0	0	111.4	S413 I414 N415 F420 C421	S413-V417 WeakPolarHBondContact O-CB 3.29Å; S413-V417 VanDerWaalsContact O-CG2 3.26Å; S413-V417 WeakPolarHBondContact O-CG2 3.24Å; S413-V417 PolarHBondContact O-N 3.22Å; I414-V417 CarbonylContact O-C 3.58Å; I414-V417 PolarHBondContact O-N 2.85Å; N415-V417 PolarHBondContact O-N 3.1Å; V417-F420 PolarHBondContact O-N 3.32Å; V417-C421 WeakPolarHBondContact O-CB 3.39Å; V417-C421 PolarHBondContact O-N 3.28Å; V417-C421 PolarHBondContact O-SG 2.92Å
418	H	32.7	Very low	34	Very low	73 Å²	73	98.2 Å²	98.2	34%	0.338	51%	0.511	S	S	.	.	H	α-helix	trans	-68.1	-49.3	177.6	-178.1	-105.2	0	0	0	109.4	I414 N415 F420 C421 I422	I414-H418 WeakPolarHBondContact O-CA 3.46Å; I414-H418 WeakPolarHBondContact O-CB 3.35Å; I414-H418 PolarHBondContact O-N 3.45Å; N415-H418 CarbonylContact O-C 3.45Å; N415-H418 PolarHBondContact O-N 2.92Å; H418-F420 VanDerWaalsContact C-N 3.31Å; H418-F420 PolarHBondContact O-N 3Å; H418-C421 CarbonylContact O-C 3.59Å; H418-C421 WeakPolarHBondContact O-CA 3.41Å; H418-C421 PolarHBondContact O-N 2.92Å; H418-I422 WeakPolarHBondContact CE1-CD1 3.27Å; H418-I422 WeakPolarHBondContact ND1-CD1 3.35Å; H418-I422 VanDerWaalsContact NE2-CD1 3.29Å; H418-I422 WeakPolarHBondContact NE2-CD1 3.5Å; H418-I422 WeakPolarHBondContact O-CA 3.25Å; H418-I422 WeakPolarHBondContact O-CB 3.46Å; H418-I422 VanDerWaalsContact O-CG1 3.25Å; H418-I422 WeakPolarHBondContact O-CG1 3.49Å; H418-I422 PolarHBondContact O-N 3.07Å
419	D	38	Very low	33.7	Very low	85 Å²	85	102.9 Å²	102.9	46%	0.455	53%	0.527	S	S	.	.	H	α-helix	trans	-58.1	-41.3	172.1	-66.5	-17.7	0	0	0	110.6	N415 C421 I422 M423	N415-D419 WeakPolarHBondContact O-CA 3.36Å; N415-D419 WeakPolarHBondContact O-CB 3.42Å; N415-D419 PolarHBondContact O-N 3.39Å; D419-C421 VanDerWaalsContact C-N 3.34Å; D419-C421 PolarHBondContact O-N 3.23Å; D419-I422 PolarHBondContact O-N 2.86Å; D419-M423 WeakPolarHBondContact O-CB 3.43Å; D419-M423 WeakPolarHBondContact O-CG 3.28Å; D419-M423 PolarHBondContact O-N 2.86Å
420	F	36.5	Very low	33	Very low	169 Å²	169	106.7 Å²	106.7	74%	0.741	55%	0.548	S	S	*	.	H	α-helix	trans	-62.8	-39.4	172.6	-122.9	-86	0	0	0	112.8	T416 V417 H418	T416-F420 WeakPolarHBondContact O-CB 3.33Å; T416-F420 PolarHBondContact O-N 2.99Å; V417-F420 PolarHBondContact O-N 3.32Å; H418-F420 VanDerWaalsContact C-N 3.31Å; H418-F420 PolarHBondContact O-N 3Å
421	C	36.5	Very low	32.4	Very low	54 Å²	54	108.9 Å²	108.9	37%	0.365	56%	0.556	S	S	.	*	H	α-helix	trans	-77.9	-27.6	178	-68	0	0	0	0	113.1	V417 H418 D419	V417-C421 WeakPolarHBondContact O-CB 3.39Å; V417-C421 PolarHBondContact O-N 3.28Å; V417-C421 PolarHBondContact O-SG 2.92Å; H418-C421 CarbonylContact O-C 3.59Å; H418-C421 WeakPolarHBondContact O-CA 3.41Å; H418-C421 PolarHBondContact O-N 2.92Å; D419-C421 VanDerWaalsContact C-N 3.34Å; D419-C421 PolarHBondContact O-N 3.23Å
422	I	33	Very low	31.9	Very low	41 Å²	41	110.3 Å²	110.3	21%	0.21	56%	0.558	C	S	.	*	H	α-helix	trans	-87.9	-36	-176.5	-79.2	-152.4	0	0	0	111.3	H418 D419 S424 K425 Y426	H418-I422 WeakPolarHBondContact CE1-CD1 3.27Å; H418-I422 WeakPolarHBondContact ND1-CD1 3.35Å; H418-I422 VanDerWaalsContact NE2-CD1 3.29Å; H418-I422 WeakPolarHBondContact NE2-CD1 3.5Å; H418-I422 WeakPolarHBondContact O-CA 3.25Å; H418-I422 WeakPolarHBondContact O-CB 3.46Å; H418-I422 VanDerWaalsContact O-CG1 3.25Å; H418-I422 WeakPolarHBondContact O-CG1 3.49Å; H418-I422 PolarHBondContact O-N 3.07Å; D419-I422 PolarHBondContact O-N 2.86Å; I422-S424 PolarHBondContact O-N 3.4Å; I422-S424 VanDerWaalsContact O-N 3.13Å; I422-K425 CarbonylContact O-C 3.59Å; I422-K425 PolarHBondContact O-N 3.38Å; I422-Y426 HydrophobicContact CB-CD2 3.95Å; I422-Y426 HydrophobicContact CD1-CD2 3.62Å; I422-Y426 HydrophobicContact CD1-CE2 3.46Å; I422-Y426 VanDerWaalsContact CD1-CE2 3.46Å; I422-Y426 HydrophobicContact CD1-CG 4.49Å; I422-Y426 HydrophobicContact CG1-CD2 3.68Å; I422-Y426 HydrophobicContact CG1-CE2 3.76Å; I422-Y426 HydrophobicContact CG2-CD2 3.6Å; I422-Y426 HydrophobicContact CG2-CE2 4.45Å; I422-Y426 HydrophobicContact CG2-CG 3.99Å; I422-Y426 PolarHBondContact O-N 2.97Å
423	M	32.3	Very low	31.5	Very low	165 Å²	165	116.4 Å²	116.4	81%	0.813	58%	0.575	S	S	*	*	H	α-helix	trans	-57.8	-26	171	-73.6	-111.3	68.8	0	0	111.2	D419 K425	D419-M423 WeakPolarHBondContact O-CB 3.43Å; D419-M423 WeakPolarHBondContact O-CG 3.28Å; D419-M423 PolarHBondContact O-N 2.86Å; M423-K425 VanDerWaalsContact C-N 3.34Å
424	S	35.6	Very low	30.9	Very low	97 Å²	97	119.9 Å²	119.9	68%	0.678	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-13.1	172.3	-179.3	0	0	0	0	114.3	I422	I422-S424 PolarHBondContact O-N 3.4Å; I422-S424 VanDerWaalsContact O-N 3.13Å
425	K	31.8	Very low	30.3	Very low	158 Å²	158	125.6 Å²	125.6	69%	0.687	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145	-13.5	-167.3	-91.7	-170.6	176.4	-179.6	0	119.5	I422 M423 E427	I422-K425 CarbonylContact O-C 3.59Å; I422-K425 PolarHBondContact O-N 3.38Å; M423-K425 VanDerWaalsContact C-N 3.34Å; K425-E427 VanDerWaalsContact C-N 3.29Å; K425-E427 PolarHBondContact O-N 3.31Å; K425-E427 VanDerWaalsContact O-N 3.17Å
426	Y	26.5	Very low	29.7	Very low	155 Å²	155	130.1 Å²	130.1	61%	0.608	65%	0.649	S	S	*	*			trans	-93.7	56.8	-179.3	-84.4	-94	0	0	0	113.3	I422	I422-Y426 HydrophobicContact CB-CD2 3.95Å; I422-Y426 HydrophobicContact CD1-CD2 3.62Å; I422-Y426 HydrophobicContact CD1-CE2 3.46Å; I422-Y426 VanDerWaalsContact CD1-CE2 3.46Å; I422-Y426 HydrophobicContact CD1-CG 4.49Å; I422-Y426 HydrophobicContact CG1-CD2 3.68Å; I422-Y426 HydrophobicContact CG1-CE2 3.76Å; I422-Y426 HydrophobicContact CG2-CD2 3.6Å; I422-Y426 HydrophobicContact CG2-CE2 4.45Å; I422-Y426 HydrophobicContact CG2-CG 3.99Å; I422-Y426 PolarHBondContact O-N 2.97Å
427	E	25.3	Very low	29	Very low	180 Å²	180	131 Å²	131	84%	0.841	66%	0.659	S	S	*	*	S	Bend		-87.5	113	127.6	-85.1	-171.8	156.5	0	0	106.9	K425	K425-E427 VanDerWaalsContact C-N 3.29Å; K425-E427 PolarHBondContact O-N 3.31Å; K425-E427 VanDerWaalsContact O-N 3.17Å
428	K	26.4	Very low	28.5	Very low	178 Å²	178	137.9 Å²	137.9	77%	0.774	69%	0.687	S	S	*	*	S	Bend	trans	93	109.3	165.7	-64.7	176.5	177.3	171.3	0	119.2
429	H	26.2	Very low	28.3	Very low	162 Å²	162	140 Å²	140	75%	0.75	71%	0.71	S	S	*	*			trans	100.9	101.8	134.6	-92.8	-76.8	0	0	0	119.9
430	N	22.7	Very low	28	Very low	132 Å²	132	148.1 Å²	148.1	71%	0.706	74%	0.735	S	S	*	*			trans	-45	139.6	145.3	-66.5	-19.9	0	0	0	112.3
431	D	24.5	Very low	27.7	Very low	137 Å²	137	151.2 Å²	151.2	73%	0.733	74%	0.741	S	S	*	*				171.5	140.8	92.5	-99.6	-35.7	0	0	0	112.4
432	H	25.6	Very low	27.9	Very low	156 Å²	156	155.6 Å²	155.6	72%	0.722	76%	0.761	S	S	*	*			trans	43.6	124	151.9	-87	-65	0	0	0	122.1
433	F	25.5	Very low	28.4	Very low	213 Å²	213	164.6 Å²	164.6	93%	0.934	79%	0.792	S	S	*	*				-160.6	149	127.4	-107.2	-73.8	0	0	0	113.3
434	T	25.1	Very low	29.2	Very low	116 Å²	116	158.8 Å²	158.8	71%	0.712	77%	0.765	S	S	*	*			trans	-103.9	157	-156.3	47.3	0	0	0	0	116
435	N	22.9	Very low	30.1	Very low	150 Å²	150	157.6 Å²	157.6	80%	0.802	75%	0.751	S	S	*	*			trans	-52.2	144.1	176.3	-69.9	-40.4	0	0	0	117.4
436	N	23.4	Very low	31.2	Very low	174 Å²	174	152.3 Å²	152.3	93%	0.93	73%	0.732	S	S	*	*			trans	-159.8	105.4	147.6	-111.1	-16.7	0	0	0	110.8
437	S	24.5	Very low	32.5	Very low	102 Å²	102	146 Å²	146	71%	0.713	71%	0.71	S	S	*	*			trans	-145.6	90.2	176.8	63	0	0	0	0	112.6
438	H	24.3	Very low	34	Very low	199 Å²	199	141 Å²	141	92%	0.921	69%	0.688	S	S	*	*			trans	-141.7	122.2	161.3	-82.4	-23.6	0	0	0	110.9
439	S	28.8	Very low	35.6	Very low	117 Å²	117	132.8 Å²	132.8	82%	0.818	65%	0.653	S	S	*	*			trans	130.2	78.2	155.4	-161.4	0	0	0	0	114.5
440	R	30.1	Very low	37.2	Very low	256 Å²	256	126.8 Å²	126.8	97%	0.966	62%	0.624	S	S	*	*			trans	-143.7	77.4	155.9	-77	-169	178.5	179.3	1.4	109.2
441	R	31.2	Very low	38.9	Very low	233 Å²	233	124.3 Å²	124.3	88%	0.879	61%	0.608	S	S	*	*			trans	-96.9	130.4	173.9	-81	179.7	175.8	156.5	-0.3	110.4
442	N	39.5	Very low	40.6	Very low	147 Å²	147	122.9 Å²	122.9	79%	0.786	59%	0.593	S	S	*	*			trans	73.8	51.2	155.4	-59.2	-12.9	0	0	0	119.9
443	R	45	Very low	42.3	Very low	230 Å²	230	115.5 Å²	115.5	87%	0.868	56%	0.558	S	S	*	*			trans	-87.9	134	157.1	-153.6	173.7	-168.8	168.7	2	108.6	D445	R443-D445 PolarHBondContact O-N 3.45Å
444	L	48.9	Very low	44	Very low	43 Å²	43	107.8 Å²	107.8	23%	0.225	53%	0.527	C	S	.	.			trans	-58.9	111.7	169.6	-79.1	165.6	0	0	0	108.4	P446 V449 Q471	L444-P446 VanDerWaalsContact O-CD 3.29Å; L444-P446 WeakPolarHBondContact O-CD 3.34Å; L444-V449 HydrophobicContact CB-CG2 4.24Å; L444-V449 HydrophobicContact CD2-CG2 4.13Å; L444-Q471 HydrophobicContact CD2-CG 4.37Å
445	D	54.2	Low	45.6	Very low	72 Å²	72	109.7 Å²	109.7	39%	0.385	53%	0.528	S	S	.	.			trans	-66.6	117.4	177.3	-173.1	-22.9	0	0	0	108.9	R443 V447 L448 V449	R443-D445 PolarHBondContact O-N 3.45Å; D445-V447 PolarHBondContact O-N 3.01Å; D445-V447 VanDerWaalsContact O-N 3.1Å; D445-V447 WeakPolarHBondContact OD1-CB 3.41Å; D445-V447 WeakPolarHBondContact OD1-CG2 3.47Å; D445-V447 PolarHBondContact OD1-N 3.36Å; D445-L448 HydrophobicContact CB-CB 4.11Å; D445-L448 HydrophobicContact CB-CD1 3.93Å; D445-L448 HydrophobicContact CB-CG 3.94Å; D445-L448 PolarHBondContact O-N 2.93Å; D445-L448 VanDerWaalsContact O-N 3.13Å; D445-V449 WeakPolarHBondContact O-CG2 3.45Å; D445-V449 PolarHBondContact O-N 3.37Å; D445-V449 VanDerWaalsContact O-N 3.08Å
446	P	54.3	Low	47.3	Very low	46 Å²	46	103.5 Å²	103.5	30%	0.299	49%	0.494	S	S	.	.	H	α-helix	trans	-53	-32	179	-25.9	35	0	0	0	112.9	L444 R450 I545	L444-P446 VanDerWaalsContact O-CD 3.29Å; L444-P446 WeakPolarHBondContact O-CD 3.34Å; P446-R450 VanDerWaalsContact O-CB 3.23Å; P446-R450 WeakPolarHBondContact O-CB 3.42Å; P446-R450 PolarHBondContact O-N 2.87Å; P446-I545 HydrophobicContact CB-CG1 4.5Å; P446-I545 HydrophobicContact CB-CG2 4.04Å
447	V	54.9	Low	48.8	Very low	24 Å²	24	97.3 Å²	97.3	15%	0.145	46%	0.464	C	S	.	.	H	α-helix	trans	-70.2	-49	-179.9	-175.9	0	0	0	0	110.7	N318 D445 V449 R450 E451	N318-V447 HydrophobicContact CB-CB 4.48Å; N318-V447 HydrophobicContact CB-CG1 3.99Å; N318-V447 HydrophobicContact CB-CG2 3.65Å; N318-V447 VanDerWaalsContact CG-CG2 3.42Å; N318-V447 WeakPolarHBondContact O-CG1 3.48Å; D445-V447 PolarHBondContact O-N 3.01Å; D445-V447 VanDerWaalsContact O-N 3.1Å; D445-V447 WeakPolarHBondContact OD1-CB 3.41Å; D445-V447 WeakPolarHBondContact OD1-CG2 3.47Å; D445-V447 PolarHBondContact OD1-N 3.36Å; V447-V449 PolarHBondContact O-N 3.14Å; V447-R450 WeakPolarHBondContact O-CB 3.37Å; V447-R450 PolarHBondContact O-N 3.31Å; V447-R450 VanDerWaalsContact O-N 3.14Å; V447-E451 HydrophobicContact CG1-CG 4.44Å; V447-E451 WeakPolarHBondContact O-CG 3.38Å; V447-E451 PolarHBondContact O-N 3.37Å
448	L	55.3	Low	50.2	Low	74 Å²	74	93.1 Å²	93.1	39%	0.387	43%	0.434	S	S	.	.	H	α-helix	trans	-63.9	-41.8	-179.9	-69.1	179.3	0	0	0	112.1	L321 D445 R450 E451 R452	L321-L448 HydrophobicContact CD2-CD2 3.66Å; D445-L448 HydrophobicContact CB-CB 4.11Å; D445-L448 HydrophobicContact CB-CD1 3.93Å; D445-L448 HydrophobicContact CB-CG 3.94Å; D445-L448 PolarHBondContact O-N 2.93Å; D445-L448 VanDerWaalsContact O-N 3.13Å; L448-R450 PolarHBondContact O-N 3.42Å; L448-E451 PolarHBondContact O-N 2.7Å; L448-R452 WeakPolarHBondContact O-CB 3.48Å; L448-R452 PolarHBondContact O-N 2.91Å
449	V	60.7	Low	51.8	Low	6 Å²	6	88.7 Å²	88.7	4%	0.036	42%	0.417	C	S	.	.	H	α-helix	trans	-58.1	-42.5	175.6	171.8	0	0	0	0	110	L444 D445 V447 L453 L468 L542 I545	L444-V449 HydrophobicContact CB-CG2 4.24Å; L444-V449 HydrophobicContact CD2-CG2 4.13Å; D445-V449 WeakPolarHBondContact O-CG2 3.45Å; D445-V449 PolarHBondContact O-N 3.37Å; D445-V449 VanDerWaalsContact O-N 3.08Å; V447-V449 PolarHBondContact O-N 3.14Å; V449-L453 HydrophobicContact CG1-CD1 3.88Å; V449-L453 WeakPolarHBondContact O-CB 3.49Å; V449-L453 VanDerWaalsContact O-CG 3.29Å; V449-L453 WeakPolarHBondContact O-CG 3.31Å; V449-L453 PolarHBondContact O-N 3.41Å; V449-L468 HydrophobicContact CG1-CD1 3.72Å; V449-L468 HydrophobicContact CG1-CD2 4.09Å; V449-L468 HydrophobicContact CG2-CD2 4.02Å; V449-L542 HydrophobicContact CG1-CD1 4.48Å; V449-I545 HydrophobicContact CB-CG2 4.16Å; V449-I545 HydrophobicContact CG1-CG2 3.99Å
450	R	60.9	Low	53.5	Low	35 Å²	35	88 Å²	88	13%	0.132	40%	0.401	C	S	.	.	H	α-helix	trans	-70.4	-44.1	-179.7	177.3	162.6	-173.6	177.9	-3.1	113.8	P446 V447 L448 R452 L453 N454 L808	P446-R450 VanDerWaalsContact O-CB 3.23Å; P446-R450 WeakPolarHBondContact O-CB 3.42Å; P446-R450 PolarHBondContact O-N 2.87Å; V447-R450 WeakPolarHBondContact O-CB 3.37Å; V447-R450 PolarHBondContact O-N 3.31Å; V447-R450 VanDerWaalsContact O-N 3.14Å; L448-R450 PolarHBondContact O-N 3.42Å; R450-R452 VanDerWaalsContact C-N 3.29Å; R450-R452 PolarHBondContact O-N 3.43Å; R450-L453 PolarHBondContact O-N 2.92Å; R450-N454 PolarHBondContact O-N 3.26Å; R450-N454 PolarHBondContact O-ND2 2.61Å; R450-L808 HydrophobicContact CG-CD1 3.84Å; R450-L808 HydrophobicContact CG-CD2 3.72Å; R450-L808 HydrophobicContact CG-CG 4.37Å
451	E	58.5	Low	55	Low	80 Å²	80	76.3 Å²	76.3	37%	0.374	36%	0.358	S	S	.	.	H	α-helix	trans	-61.3	-42.7	175.3	-75	-174.6	163.9	0	0	111.1	V447 L448 N454 Q455	V447-E451 HydrophobicContact CG1-CG 4.44Å; V447-E451 WeakPolarHBondContact O-CG 3.38Å; V447-E451 PolarHBondContact O-N 3.37Å; L448-E451 PolarHBondContact O-N 2.7Å; E451-N454 WeakPolarHBondContact O-CB 3.26Å; E451-N454 PolarHBondContact O-N 3.05Å; E451-Q455 WeakPolarHBondContact O-CG 3.25Å; E451-Q455 PolarHBondContact O-N 2.83Å
452	R	60.2	Low	56.4	Low	108 Å²	108	70.5 Å²	70.5	41%	0.408	34%	0.336	S	S	.	.	H	α-helix	trans	-61.7	-48.1	177.3	-163.4	174	-135.2	-149	-3.3	111.5	L448 R450 N454 Q455 I456 E464	L448-R452 WeakPolarHBondContact O-CB 3.48Å; L448-R452 PolarHBondContact O-N 2.91Å; R450-R452 VanDerWaalsContact C-N 3.29Å; R450-R452 PolarHBondContact O-N 3.43Å; R452-N454 PolarHBondContact O-N 3.18Å; R452-Q455 PolarHBondContact O-N 3.13Å; R452-Q455 VanDerWaalsContact O-N 3.1Å; R452-I456 HydrophobicContact CG-CD1 3.95Å; R452-I456 VanDerWaalsContact O-CD1 3.26Å; R452-I456 WeakPolarHBondContact O-CD1 3.14Å; R452-I456 WeakPolarHBondContact O-CG1 3.26Å; R452-I456 PolarHBondContact O-N 3.5Å; R452-E464 WeakPolarHBondContact CD-OE1 3.37Å; R452-E464 IonicContact CZ-OE1 2.76Å; R452-E464 IonicContact NE-OE1 3.24Å; R452-E464 IonicContact NH1-OE1 3.5Å; R452-E464 PolarHBondContact NH1-OE1 3.4Å
453	L	61.2	Low	57.6	Low	0 Å²	0	69 Å²	69	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-66.4	-21.9	177.9	-72.5	169.2	0	0	0	114.1	V449 R450 I456 L461 E464 L465 L468 L546 Q811	V449-L453 HydrophobicContact CG1-CD1 3.88Å; V449-L453 WeakPolarHBondContact O-CB 3.49Å; V449-L453 VanDerWaalsContact O-CG 3.29Å; V449-L453 WeakPolarHBondContact O-CG 3.31Å; V449-L453 PolarHBondContact O-N 3.41Å; R450-L453 PolarHBondContact O-N 2.92Å; L453-I456 HydrophobicContact CD2-CD1 4.46Å; L453-L461 HydrophobicContact CD2-CD1 3.67Å; L453-E464 HydrophobicContact CD2-CB 4.4Å; L453-E464 HydrophobicContact CD2-CG 4.3Å; L453-L465 HydrophobicContact CD1-CD2 4.07Å; L453-L465 HydrophobicContact CD2-CD2 3.81Å; L453-L465 HydrophobicContact CD2-CG 4.11Å; L453-L468 HydrophobicContact CD1-CD1 3.76Å; L453-L468 HydrophobicContact CD2-CD1 3.92Å; L453-L468 HydrophobicContact CG-CD1 3.93Å; L453-L546 HydrophobicContact CD1-CD1 4.3Å; L453-L546 HydrophobicContact CD1-CD2 3.55Å; L453-L546 HydrophobicContact CD1-CG 4.44Å; L453-Q811 PolarHBondContact O-NE2 2.9Å
454	N	60.7	Low	58.7	Low	51 Å²	51	59.5 Å²	59.5	27%	0.273	29%	0.293	S	S	.	.	H	α-helix	trans	-78.7	-25.2	172.5	-79.4	-23.6	0	0	0	113.7	R450 E451 R452 P806 L808	R450-N454 PolarHBondContact O-N 3.26Å; R450-N454 PolarHBondContact O-ND2 2.61Å; E451-N454 WeakPolarHBondContact O-CB 3.26Å; E451-N454 PolarHBondContact O-N 3.05Å; R452-N454 PolarHBondContact O-N 3.18Å; N454-P806 WeakPolarHBondContact O-CG 3.27Å; N454-L808 VanDerWaalsContact ND2-CD1 3.29Å; N454-L808 WeakPolarHBondContact ND2-CD1 3.38Å; N454-L808 WeakPolarHBondContact OD1-CD1 3.4Å; N454-L808 VanDerWaalsContact OD1-CG 3.26Å; N454-L808 WeakPolarHBondContact OD1-CG 3.48Å
455	Q	59.2	Low	59.5	Low	156 Å²	156	57.7 Å²	57.7	73%	0.729	28%	0.284	S	S	*	.	H	α-helix	trans	-92.7	-14.3	-178.2	-68.3	174	22.2	0	0	112.5	E451 R452	E451-Q455 WeakPolarHBondContact O-CG 3.25Å; E451-Q455 PolarHBondContact O-N 2.83Å; R452-Q455 PolarHBondContact O-N 3.13Å; R452-Q455 VanDerWaalsContact O-N 3.1Å
456	I	58.6	Low	60	Low	20 Å²	20	57 Å²	57	10%	0.103	28%	0.284	C	S	.	.	S	Bend	trans	-80	129.8	-176.2	-73.1	160.1	0	0	0	110.8	R452 L453 Q460 L461 E464 P806	R452-I456 HydrophobicContact CG-CD1 3.95Å; R452-I456 VanDerWaalsContact O-CD1 3.26Å; R452-I456 WeakPolarHBondContact O-CD1 3.14Å; R452-I456 WeakPolarHBondContact O-CG1 3.26Å; R452-I456 PolarHBondContact O-N 3.5Å; L453-I456 HydrophobicContact CD2-CD1 4.46Å; I456-Q460 HydrophobicContact CG2-CB 3.73Å; I456-L461 HydrophobicContact CG2-CB 4.48Å; I456-E464 HydrophobicContact CD1-CB 3.44Å; I456-E464 VanDerWaalsContact CD1-CB 3.44Å; I456-E464 HydrophobicContact CD1-CG 3.32Å; I456-P806 WeakPolarHBondContact O-CG 3.33Å
457	P	54.2	Low	60.7	Low	45 Å²	45	60 Å²	60	29%	0.292	29%	0.29	S	S	.	.			trans	-52.9	136.1	170.8	-26.1	35.1	0	0	0	111.4	D459 Q460 L461	P457-D459 WeakPolarHBondContact CB-OD1 3.06Å; P457-D459 PolarHBondContact O-N 2.88Å; P457-Q460 PolarHBondContact O-N 2.85Å; P457-L461 PolarHBondContact O-N 3.38Å
458	P	54.7	Low	61.2	Low	14 Å²	14	59.3 Å²	59.3	9%	0.091	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-26.1	-178.4	-30.4	36.6	0	0	0	115.6	L461 H588 P806	P458-L461 WeakPolarHBondContact O-CB 3.24Å; P458-H588 WeakPolarHBondContact CD-NE2 3.45Å; P458-H588 HydrophobicContact CG-CB 4.4Å; P458-P806 HydrophobicContact CG-CB 4.21Å
459	D	57.1	Low	61.6	Low	105 Å²	105	57.1 Å²	57.1	56%	0.561	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-29.7	174.3	56.2	-55.6	0	0	0	113.4	P457	P457-D459 WeakPolarHBondContact CB-OD1 3.06Å; P457-D459 PolarHBondContact O-N 2.88Å
460	Q	63.6	Low	61.7	Low	104 Å²	104	61.9 Å²	61.9	49%	0.486	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-7.8	175.6	-66.9	-176.4	1.7	0	0	113.3	I456 P457 W462 D463 E464	I456-Q460 HydrophobicContact CG2-CB 3.73Å; P457-Q460 PolarHBondContact O-N 2.85Å; Q460-W462 PolarHBondContact O-N 3.02Å; Q460-D463 PolarHBondContact O-N 3.34Å; Q460-D463 VanDerWaalsContact O-N 3.09Å; Q460-E464 PolarHBondContact O-N 3.4Å
461	L	62.3	Low	61.5	Low	10 Å²	10	63.3 Å²	63.3	5%	0.052	31%	0.306	C	S	.	.	H	α-helix	trans	-53.6	-42.8	-177.3	174.6	63.4	0	0	0	112	L453 I456 P457 P458 E464 L465 Q811	L453-L461 HydrophobicContact CD2-CD1 3.67Å; I456-L461 HydrophobicContact CG2-CB 4.48Å; P457-L461 PolarHBondContact O-N 3.38Å; P458-L461 WeakPolarHBondContact O-CB 3.24Å; L461-E464 PolarHBondContact O-N 3.09Å; L461-L465 HydrophobicContact CD1-CD1 4.09Å; L461-L465 HydrophobicContact CD1-CG 4.12Å; L461-L465 HydrophobicContact CD2-CD1 4.46Å; L461-L465 HydrophobicContact CG-CD1 3.89Å; L461-L465 HydrophobicContact CG-CG 4.34Å; L461-L465 WeakPolarHBondContact O-CB 3.38Å; L461-L465 VanDerWaalsContact O-CG 3.28Å; L461-L465 WeakPolarHBondContact O-CG 2.8Å; L461-L465 PolarHBondContact O-N 2.94Å; L461-Q811 HydrophobicContact CD1-CG 4.23Å; L461-Q811 HydrophobicContact CD2-CG 3.82Å
462	W	59.7	Low	61.3	Low	111 Å²	111	60.2 Å²	60.2	42%	0.42	29%	0.293	S	S	.	.	H	α-helix	trans	-66.6	-36.8	-179.4	-75.2	119.8	0	0	0	112.8	Q460 L465 S466 M814 L818	Q460-W462 PolarHBondContact O-N 3.02Å; W462-L465 HydrophobicContact CE3-CB 4.49Å; W462-L465 HydrophobicContact CE3-CD1 3.84Å; W462-L465 HydrophobicContact CZ3-CD1 3.99Å; W462-L465 PolarHBondContact O-N 3.25Å; W462-S466 WeakPolarHBondContact O-CB 3.43Å; W462-S466 PolarHBondContact O-N 2.58Å; W462-S466 PolarHBondContact O-OG 2.8Å; W462-M814 HydrophobicContact CH2-CE 3.93Å; W462-M814 HydrophobicContact CZ2-CE 3.22Å; W462-L818 HydrophobicContact CH2-CD1 3.59Å; W462-L818 HydrophobicContact CH2-CG 4.46Å; W462-L818 HydrophobicContact CZ3-CD1 3.55Å
463	D	66.5	Low	60.5	Low	115 Å²	115	57.9 Å²	57.9	62%	0.615	29%	0.289	S	S	*	.	H	α-helix	trans	-64.5	-42.7	177	-66.5	-25.3	0	0	0	110.7	Q460 S466 R467	Q460-D463 PolarHBondContact O-N 3.34Å; Q460-D463 VanDerWaalsContact O-N 3.09Å; D463-S466 WeakPolarHBondContact O-CB 3.49Å; D463-S466 PolarHBondContact O-N 2.94Å; D463-R467 WeakPolarHBondContact O-CB 3.45Å; D463-R467 PolarHBondContact O-N 2.75Å
464	E	67.9	Low	59.5	Low	30 Å²	30	64 Å²	64	14%	0.14	32%	0.32	C	S	.	.	H	α-helix	trans	-71.9	-39.3	177.3	-167.2	72.3	-172.2	0	0	112.3	R452 L453 I456 Q460 L461 S466 R467 L468	R452-E464 WeakPolarHBondContact CD-OE1 3.37Å; R452-E464 IonicContact CZ-OE1 2.76Å; R452-E464 IonicContact NE-OE1 3.24Å; R452-E464 IonicContact NH1-OE1 3.5Å; R452-E464 PolarHBondContact NH1-OE1 3.4Å; L453-E464 HydrophobicContact CD2-CB 4.4Å; L453-E464 HydrophobicContact CD2-CG 4.3Å; I456-E464 HydrophobicContact CD1-CB 3.44Å; I456-E464 VanDerWaalsContact CD1-CB 3.44Å; I456-E464 HydrophobicContact CD1-CG 3.32Å; Q460-E464 PolarHBondContact O-N 3.4Å; L461-E464 PolarHBondContact O-N 3.09Å; E464-S466 VanDerWaalsContact C-N 3.26Å; E464-S466 PolarHBondContact O-N 2.81Å; E464-R467 CarbonylContact O-C 3.55Å; E464-R467 WeakPolarHBondContact O-CA 3.38Å; E464-R467 WeakPolarHBondContact O-CB 3.4Å; E464-R467 PolarHBondContact O-N 3.31Å; E464-R467 VanDerWaalsContact O-N 3.11Å; E464-R467 IonicContact OE1-CZ 3.6Å; E464-R467 IonicContact OE1-NE 3.47Å; E464-R467 PolarHBondContact OE1-NE 3.02Å; E464-L468 HydrophobicContact CG-CD1 4.19Å; E464-L468 HydrophobicContact CG-CG 4.31Å; E464-L468 WeakPolarHBondContact O-CB 2.95Å; E464-L468 VanDerWaalsContact O-CG 3.29Å; E464-L468 WeakPolarHBondContact O-CG 3.2Å; E464-L468 PolarHBondContact O-N 3.3Å
465	L	64.7	Low	58.6	Low	5 Å²	5	65.6 Å²	65.6	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-58.6	-42.4	173	-72.5	173.2	0	0	0	110.4	L453 L461 W462 R467 L468 I469 L542 I815	L453-L465 HydrophobicContact CD1-CD2 4.07Å; L453-L465 HydrophobicContact CD2-CD2 3.81Å; L453-L465 HydrophobicContact CD2-CG 4.11Å; L461-L465 HydrophobicContact CD1-CD1 4.09Å; L461-L465 HydrophobicContact CD1-CG 4.12Å; L461-L465 HydrophobicContact CD2-CD1 4.46Å; L461-L465 HydrophobicContact CG-CD1 3.89Å; L461-L465 HydrophobicContact CG-CG 4.34Å; L461-L465 WeakPolarHBondContact O-CB 3.38Å; L461-L465 VanDerWaalsContact O-CG 3.28Å; L461-L465 WeakPolarHBondContact O-CG 2.8Å; L461-L465 PolarHBondContact O-N 2.94Å; W462-L465 HydrophobicContact CE3-CB 4.49Å; W462-L465 HydrophobicContact CE3-CD1 3.84Å; W462-L465 HydrophobicContact CZ3-CD1 3.99Å; W462-L465 PolarHBondContact O-N 3.25Å; L465-R467 VanDerWaalsContact C-N 3.34Å; L465-R467 PolarHBondContact O-N 3.05Å; L465-L468 PolarHBondContact O-N 3.3Å; L465-I469 WeakPolarHBondContact O-CB 2.95Å; L465-I469 WeakPolarHBondContact O-CD1 3.39Å; L465-I469 WeakPolarHBondContact O-CG1 3.41Å; L465-I469 PolarHBondContact O-N 3.31Å; L465-L542 HydrophobicContact CD2-CD2 3.68Å; L465-L542 HydrophobicContact CD2-CG 4.45Å; L465-I815 HydrophobicContact CD2-CD1 4.05Å
466	S	65.9	Low	57.5	Low	57 Å²	57	65.2 Å²	65.2	40%	0.399	33%	0.328	S	S	.	.	H	α-helix	trans	-58.1	-46.9	173	-52.9	0	0	0	0	111.1	W462 D463 E464 L468 I469 I470	W462-S466 WeakPolarHBondContact O-CB 3.43Å; W462-S466 PolarHBondContact O-N 2.58Å; W462-S466 PolarHBondContact O-OG 2.8Å; D463-S466 WeakPolarHBondContact O-CB 3.49Å; D463-S466 PolarHBondContact O-N 2.94Å; E464-S466 VanDerWaalsContact C-N 3.26Å; E464-S466 PolarHBondContact O-N 2.81Å; S466-L468 PolarHBondContact O-N 2.85Å; S466-I469 PolarHBondContact O-N 2.97Å; S466-I470 VanDerWaalsContact O-CG1 3.3Å; S466-I470 WeakPolarHBondContact O-CG1 3.39Å; S466-I470 PolarHBondContact O-N 2.93Å
467	R	67.9	Low	56.2	Low	110 Å²	110	76.1 Å²	76.1	42%	0.415	37%	0.368	S	S	.	.	H	α-helix	trans	-61.2	-42.1	178.2	-152.7	-161.5	95.2	137.5	13.2	112.3	D463 E464 L465 I470 Q471	D463-R467 WeakPolarHBondContact O-CB 3.45Å; D463-R467 PolarHBondContact O-N 2.75Å; E464-R467 CarbonylContact O-C 3.55Å; E464-R467 WeakPolarHBondContact O-CA 3.38Å; E464-R467 WeakPolarHBondContact O-CB 3.4Å; E464-R467 PolarHBondContact O-N 3.31Å; E464-R467 VanDerWaalsContact O-N 3.11Å; E464-R467 IonicContact OE1-CZ 3.6Å; E464-R467 IonicContact OE1-NE 3.47Å; E464-R467 PolarHBondContact OE1-NE 3.02Å; L465-R467 VanDerWaalsContact C-N 3.34Å; L465-R467 PolarHBondContact O-N 3.05Å; R467-I470 PolarHBondContact O-N 3.21Å; R467-Q471 VanDerWaalsContact O-CB 3.3Å; R467-Q471 WeakPolarHBondContact O-CB 3.34Å; R467-Q471 PolarHBondContact O-N 2.94Å
468	L	65.9	Low	55.2	Low	9 Å²	9	79.1 Å²	79.1	5%	0.047	39%	0.39	C	S	.	.	H	α-helix	trans	-69.1	-39.1	178.6	-71.6	168.9	0	0	0	111.8	V449 L453 E464 L465 S466 I470 Q471 S472 L542	V449-L468 HydrophobicContact CG1-CD1 3.72Å; V449-L468 HydrophobicContact CG1-CD2 4.09Å; V449-L468 HydrophobicContact CG2-CD2 4.02Å; L453-L468 HydrophobicContact CD1-CD1 3.76Å; L453-L468 HydrophobicContact CD2-CD1 3.92Å; L453-L468 HydrophobicContact CG-CD1 3.93Å; E464-L468 HydrophobicContact CG-CD1 4.19Å; E464-L468 HydrophobicContact CG-CG 4.31Å; E464-L468 WeakPolarHBondContact O-CB 2.95Å; E464-L468 VanDerWaalsContact O-CG 3.29Å; E464-L468 WeakPolarHBondContact O-CG 3.2Å; E464-L468 PolarHBondContact O-N 3.3Å; L465-L468 PolarHBondContact O-N 3.3Å; S466-L468 PolarHBondContact O-N 2.85Å; L468-I470 VanDerWaalsContact C-N 3.33Å; L468-Q471 PolarHBondContact O-N 2.94Å; L468-S472 PolarHBondContact O-N 3.49Å; L468-S472 VanDerWaalsContact O-N 3.14Å; L468-L542 HydrophobicContact CB-CD1 4.18Å; L468-L542 HydrophobicContact CD1-CD1 4.23Å
469	I	63.2	Low	54	Low	28 Å²	28	82.2 Å²	82.2	14%	0.144	42%	0.424	C	S	.	.	H	α-helix	trans	-58.8	-47.3	172.5	-71.3	165.8	0	0	0	109.4	L465 S466 S472 L535 R538 L539 L542	L465-I469 WeakPolarHBondContact O-CB 2.95Å; L465-I469 WeakPolarHBondContact O-CD1 3.39Å; L465-I469 WeakPolarHBondContact O-CG1 3.41Å; L465-I469 PolarHBondContact O-N 3.31Å; S466-I469 PolarHBondContact O-N 2.97Å; I469-S472 PolarHBondContact O-OG 2.9Å; I469-L535 HydrophobicContact CG2-CD1 4.09Å; I469-R538 HydrophobicContact CG2-CB 4.05Å; I469-R538 HydrophobicContact CG2-CG 4.43Å; I469-R538 WeakPolarHBondContact O-CD 3.49Å; I469-L539 HydrophobicContact CD1-CD2 3.8Å; I469-L539 HydrophobicContact CG1-CD2 4.49Å; I469-L542 HydrophobicContact CD1-CD2 4.45Å; I469-L542 HydrophobicContact CG1-CD2 4.07Å
470	I	62.1	Low	52.5	Low	106 Å²	106	82.8 Å²	82.8	54%	0.544	44%	0.436	S	S	.	.	H	α-helix	trans	-66.7	-43.5	177.7	-64.4	163.9	0	0	0	111.5	S466 R467 L468 S472 D473	S466-I470 VanDerWaalsContact O-CG1 3.3Å; S466-I470 WeakPolarHBondContact O-CG1 3.39Å; S466-I470 PolarHBondContact O-N 2.93Å; R467-I470 PolarHBondContact O-N 3.21Å; L468-I470 VanDerWaalsContact C-N 3.33Å; I470-S472 PolarHBondContact O-N 2.79Å; I470-D473 VanDerWaalsContact O-CB 3.24Å; I470-D473 WeakPolarHBondContact O-CB 3.19Å; I470-D473 PolarHBondContact O-N 3.34Å
471	Q	57.2	Low	50.9	Low	65 Å²	65	81.7 Å²	81.7	30%	0.304	45%	0.445	S	S	.	.	H	α-helix	trans	-63.2	-28.2	-176.9	-169.6	169.7	-4.3	0	0	112.4	L444 R467 L468 D473 I474	L444-Q471 HydrophobicContact CD2-CG 4.37Å; R467-Q471 VanDerWaalsContact O-CB 3.3Å; R467-Q471 WeakPolarHBondContact O-CB 3.34Å; R467-Q471 PolarHBondContact O-N 2.94Å; L468-Q471 PolarHBondContact O-N 2.94Å; Q471-D473 PolarHBondContact O-N 2.87Å; Q471-D473 VanDerWaalsContact O-N 3.14Å; Q471-I474 PolarHBondContact O-N 2.76Å
472	S	53.7	Low	49.3	Very low	15 Å²	15	88.5 Å²	88.5	11%	0.105	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-11.2	173.2	77.3	0	0	0	0	114.4	L468 I469 I470 R538	L468-S472 PolarHBondContact O-N 3.49Å; L468-S472 VanDerWaalsContact O-N 3.14Å; I469-S472 PolarHBondContact O-OG 2.9Å; I470-S472 PolarHBondContact O-N 2.79Å; S472-R538 WeakPolarHBondContact OG-CG 3.44Å
473	D	44.9	Very low	47.7	Very low	59 Å²	59	88.5 Å²	88.5	32%	0.316	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-25.1	176.3	-71.9	-37.5	0	0	0	114.9	I470 Q471 E475 L476 R538	I470-D473 VanDerWaalsContact O-CB 3.24Å; I470-D473 WeakPolarHBondContact O-CB 3.19Å; I470-D473 PolarHBondContact O-N 3.34Å; Q471-D473 PolarHBondContact O-N 2.87Å; Q471-D473 VanDerWaalsContact O-N 3.14Å; D473-E475 PolarHBondContact O-N 2.79Å; D473-L476 PolarHBondContact O-N 3.04Å; D473-R538 VanDerWaalsContact CG-CZ 3.41Å; D473-R538 VanDerWaalsContact CG-NE 3.33Å; D473-R538 IonicContact OD1-CZ 3.06Å; D473-R538 IonicContact OD1-NE 2.74Å; D473-R538 PolarHBondContact OD1-NE 3.43Å; D473-R538 IonicContact OD1-NH2 2.72Å; D473-R538 PolarHBondContact OD1-NH2 2.66Å; D473-R538 IonicContact OD2-CZ 2.98Å; D473-R538 IonicContact OD2-NE 3.25Å; D473-R538 PolarHBondContact OD2-NE 3.24Å; D473-R538 IonicContact OD2-NH1 3.66Å; D473-R538 IonicContact OD2-NH2 2.79Å; D473-R538 PolarHBondContact OD2-NH2 3.39Å
474	I	38.7	Very low	45.9	Very low	128 Å²	128	88 Å²	88	66%	0.656	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-65.7	-14.9	-172	-60	176.9	0	0	0	111.3	Q471 L476	Q471-I474 PolarHBondContact O-N 2.76Å; I474-L476 PolarHBondContact O-N 2.76Å
475	E	42.2	Very low	43.9	Very low	86 Å²	86	92.6 Å²	92.6	40%	0.402	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-72.4	-16.7	-178.4	-61.6	179.1	166.6	0	0	115.2	D473 R541	D473-E475 PolarHBondContact O-N 2.79Å; E475-R541 IonicContact OE2-NH1 3.22Å; E475-R541 PolarHBondContact OE2-NH1 3.14Å
476	L	36.1	Very low	42	Very low	147 Å²	147	97.9 Å²	97.9	77%	0.77	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-92	-13.2	-170.6	-77.9	171.5	0	0	0	115.9	D473 I474	D473-L476 PolarHBondContact O-N 3.04Å; I474-L476 PolarHBondContact O-N 2.76Å
477	R	31.6	Very low	40.1	Very low	249 Å²	249	100.2 Å²	100.2	94%	0.94	59%	0.594	S	S	*	*	S	Bend	trans	-97.4	-1.2	-170.2	-112.9	177.3	-178.4	-111.5	1.9	116.2
478	S	34.1	Very low	38	Very low	109 Å²	109	101.2 Å²	101.2	76%	0.762	61%	0.613	S	S	*	*	S	Bend	trans	-116.7	16.3	-173.2	42.3	0	0	0	0	115.3
479	G	27.9	Very low	36.1	Very low	78 Å²	78	108.4 Å²	108.4	80%	0.804	65%	0.651	S	S	*	*			trans	-116.6	70.6	176.2	0	0	0	0	0	112.7
480	S	27.6	Very low	34.3	Very low	117 Å²	117	115.7 Å²	115.7	82%	0.818	68%	0.684	S	S	*	*			trans	-131.1	127.5	164.8	177.6	0	0	0	0	108.1
481	A	29.9	Very low	32.5	Very low	81 Å²	81	115.6 Å²	115.6	67%	0.669	69%	0.693	S	S	*	*	S	Bend	trans	71.6	88.6	-176.2	0	0	0	0	0	114.3
482	D	27	Very low	31	Very low	153 Å²	153	118.9 Å²	118.9	82%	0.818	71%	0.712	S	S	*	*				168.5	144.3	110	-78.1	-22	0	0	0	111.4
483	S	27.8	Very low	29.6	Very low	111 Å²	111	125.4 Å²	125.4	78%	0.776	75%	0.746	S	S	*	*			trans	71.2	82.6	170	61.8	0	0	0	0	118.1	T485	S483-T485 PolarHBondContact O-N 3.08Å
484	A	27.8	Very low	28.7	Very low	105 Å²	105	132 Å²	132	87%	0.868	77%	0.767	S	S	*	*			trans	-68.2	97	153.3	0	0	0	0	0	109.7
485	T	26.1	Very low	28.1	Very low	127 Å²	127	136.8 Å²	136.8	78%	0.779	78%	0.778	S	S	*	*			trans	-145.7	106.5	154.5	43.8	0	0	0	0	111	S483	S483-T485 PolarHBondContact O-N 3.08Å
486	S	24.7	Very low	27.5	Very low	116 Å²	116	138.1 Å²	138.1	81%	0.811	79%	0.794	S	S	*	*			trans	7.5	111.9	149.8	-162.7	0	0	0	0	118.3
487	S	25.7	Very low	26.9	Very low	105 Å²	105	139.3 Å²	139.3	73%	0.734	80%	0.796	S	S	*	*			trans	-141.9	103.7	141.7	50.5	0	0	0	0	109.4	L489	S487-L489 PolarHBondContact O-N 3.05Å
488	T	24.7	Very low	26.6	Very low	131 Å²	131	138.2 Å²	138.2	80%	0.804	79%	0.793	S	S	*	*			trans	-53.8	108.3	163.3	31.3	0	0	0	0	109.9
489	L	25.4	Very low	26	Very low	161 Å²	161	141.3 Å²	141.3	84%	0.843	80%	0.795	S	S	*	*			trans	-107.8	107.5	163.2	-92.2	161.6	0	0	0	109	S487	S487-L489 PolarHBondContact O-N 3.05Å
490	E	24.6	Very low	25.8	Very low	180 Å²	180	143.8 Å²	143.8	84%	0.841	80%	0.795	S	S	*	*			trans	-27	124.4	171.7	-66.3	168.4	155.3	0	0	115.2	D492	E490-D492 PolarHBondContact O-N 3.24Å
491	S	25.3	Very low	25.6	Very low	104 Å²	104	146.4 Å²	146.4	73%	0.727	79%	0.792	S	S	*	*			trans	-70	96.5	169	53.2	0	0	0	0	110.6	N493	S491-N493 VanDerWaalsContact C-N 3.35Å; S491-N493 PolarHBondContact O-N 2.69Å; S491-N493 VanDerWaalsContact O-N 3.09Å
492	D	25.5	Very low	25.2	Very low	134 Å²	134	149.1 Å²	149.1	72%	0.717	80%	0.795	S	S	*	*			trans	-82.7	82.7	171.9	-143.7	-4.2	0	0	0	109.4	E490 R494	E490-D492 PolarHBondContact O-N 3.24Å; D492-R494 PolarHBondContact O-N 3.37Å
493	N	24.8	Very low	25.1	Very low	153 Å²	153	148.8 Å²	148.8	82%	0.818	79%	0.794	S	S	*	*			trans	-69.1	92.4	174.4	-85.7	-28.6	0	0	0	110	S491	S491-N493 VanDerWaalsContact C-N 3.35Å; S491-N493 PolarHBondContact O-N 2.69Å; S491-N493 VanDerWaalsContact O-N 3.09Å
494	R	25	Very low	24.9	Very low	197 Å²	197	152.4 Å²	152.4	74%	0.743	80%	0.798	S	S	*	*			trans	-133.9	52.3	175	-147.1	-173.5	-73.1	-169.4	1	113.8	D492	D492-R494 PolarHBondContact O-N 3.37Å
495	Y	26.3	Very low	24.8	Very low	229 Å²	229	152.3 Å²	152.3	90%	0.898	79%	0.791	S	S	*	*			trans	-147.4	126.8	158	-83.5	-81	0	0	0	110.7
496	P	30.6	Very low	24.8	Very low	113 Å²	113	155.9 Å²	155.9	73%	0.734	80%	0.796	S	S	*	*			trans	-80.3	147.4	-180	33.1	-31.7	0	0	0	111
497	H	23.3	Very low	24.6	Very low	173 Å²	173	156.9 Å²	156.9	80%	0.801	80%	0.802	S	S	*	*			trans	72.9	68.6	174.4	-68.3	-76.6	0	0	0	117.6
498	Y	24	Very low	24.5	Very low	225 Å²	225	155.9 Å²	155.9	88%	0.882	80%	0.8	S	S	*	*			trans	-138.6	116.7	135.1	-82.8	-78	0	0	0	108.5	T500	Y498-T500 PolarHBondContact O-N 2.98Å
499	Q	22.9	Very low	24.5	Very low	175 Å²	175	157.6 Å²	157.6	82%	0.818	80%	0.804	S	S	*	*			trans	-54.5	109	177.1	-78.1	170.8	-12.9	0	0	109.1	F501	Q499-F501 PolarHBondContact O-N 3.15Å; Q499-F501 VanDerWaalsContact O-N 3.08Å
500	T	22.6	Very low	24.4	Very low	129 Å²	129	157.6 Å²	157.6	79%	0.791	80%	0.8	S	S	*	*			trans	-72.6	99.2	175.3	-12.2	0	0	0	0	106.9	Y498 N502	Y498-T500 PolarHBondContact O-N 2.98Å; T500-N502 VanDerWaalsContact C-N 3.31Å; T500-N502 PolarHBondContact O-N 3.31Å
501	F	23.1	Very low	24.5	Very low	173 Å²	173	160.9 Å²	160.9	76%	0.759	80%	0.804	S	S	*	*			trans	-65.9	97.1	164.8	-85.3	-86.8	0	0	0	107.9	Q499 N503	Q499-F501 PolarHBondContact O-N 3.15Å; Q499-F501 VanDerWaalsContact O-N 3.08Å; F501-N503 VanDerWaalsContact C-N 3.32Å; F501-N503 PolarHBondContact O-N 3.4Å
502	N	22.9	Very low	24.5	Very low	138 Å²	138	162.8 Å²	162.8	74%	0.738	81%	0.805	S	S	*	*			trans	-63.5	89.6	167	-93.4	-16.3	0	0	0	109	T500 Q504	T500-N502 VanDerWaalsContact C-N 3.31Å; T500-N502 PolarHBondContact O-N 3.31Å; N502-Q504 VanDerWaalsContact C-N 3.28Å; N502-Q504 PolarHBondContact O-N 3.04Å; N502-Q504 VanDerWaalsContact O-N 3.12Å
503	N	24.4	Very low	24.4	Very low	146 Å²	146	161.4 Å²	161.4	78%	0.781	81%	0.806	S	S	*	*			trans	-81	84.9	161.2	-80.3	-7.4	0	0	0	108.4	F501 S505	F501-N503 VanDerWaalsContact C-N 3.32Å; F501-N503 PolarHBondContact O-N 3.4Å; N503-S505 VanDerWaalsContact C-N 3.3Å; N503-S505 PolarHBondContact O-N 3.15Å; N503-S505 VanDerWaalsContact O-N 3.07Å
504	Q	23.3	Very low	24.4	Very low	186 Å²	186	158.9 Å²	158.9	87%	0.869	80%	0.8	S	S	*	*			trans	-67	90.2	157.5	-77.9	179.9	-13.9	0	0	108.3	N502	N502-Q504 VanDerWaalsContact C-N 3.28Å; N502-Q504 PolarHBondContact O-N 3.04Å; N502-Q504 VanDerWaalsContact O-N 3.12Å
505	S	25.9	Very low	24.6	Very low	104 Å²	104	156.6 Å²	156.6	73%	0.727	80%	0.803	S	S	*	*			trans	-120.6	102.6	162.3	60.7	0	0	0	0	108.6	N503	N503-S505 VanDerWaalsContact C-N 3.3Å; N503-S505 PolarHBondContact O-N 3.15Å; N503-S505 VanDerWaalsContact O-N 3.07Å
506	K	25.3	Very low	24.6	Very low	201 Å²	201	154.4 Å²	154.4	87%	0.874	81%	0.806	S	S	*	*			trans	-28.9	126.3	173.6	-74.1	166.5	169.8	174.5	0	113.5	A508	K506-A508 PolarHBondContact O-N 3.33Å
507	C	20.1	Very low	24.5	Very low	138 Å²	138	156.1 Å²	156.1	93%	0.932	81%	0.807	S	S	*	*			trans	-57.6	101.9	156.1	-83	0	0	0	0	109
508	A	24.2	Very low	24.7	Very low	84 Å²	84	153 Å²	153	69%	0.694	80%	0.801	S	S	*	*			trans	-108.6	110.2	159.9	0	0	0	0	0	107.2	K506 E510	K506-A508 PolarHBondContact O-N 3.33Å; A508-E510 PolarHBondContact O-N 3.3Å; A508-E510 VanDerWaalsContact O-N 3.14Å
509	N	24.1	Very low	25.1	Very low	166 Å²	166	147.7 Å²	147.7	89%	0.888	79%	0.792	S	S	*	*			trans	-63.6	103.4	168	-81.9	-35.7	0	0	0	108.7
510	E	24.5	Very low	25.7	Very low	162 Å²	162	147.2 Å²	147.2	76%	0.757	79%	0.79	S	S	*	*			trans	-121.9	98.5	162.2	-77.9	-172.5	166.8	0	0	109.6	A508 L512	A508-E510 PolarHBondContact O-N 3.3Å; A508-E510 VanDerWaalsContact O-N 3.14Å; E510-L512 PolarHBondContact O-N 3.24Å
511	R	25.6	Very low	26.7	Very low	248 Å²	248	145.8 Å²	145.8	94%	0.936	79%	0.785	S	S	*	*			trans	-63.1	102	154.4	-81.5	177.5	174.6	172.9	-2.1	107.2
512	L	26	Very low	27.7	Very low	144 Å²	144	143.6 Å²	143.6	75%	0.754	78%	0.781	S	S	*	*			trans	-130.2	100.4	160.3	-76.6	172.8	0	0	0	109.9	E510	E510-L512 PolarHBondContact O-N 3.24Å
513	S	23	Very low	28.7	Very low	105 Å²	105	143.3 Å²	143.3	73%	0.734	78%	0.775	S	S	*	*			trans	-3.5	127.5	151.3	-43.8	0	0	0	0	117.2	N515	S513-N515 PolarHBondContact O-N 3.5Å
514	S	26.3	Very low	29.9	Very low	100 Å²	100	144.6 Å²	144.6	70%	0.699	77%	0.774	S	S	*	*	S	Bend	trans	1.3	110.5	143.1	55.3	0	0	0	0	115.9
515	N	28.4	Very low	31.2	Very low	150 Å²	150	141.6 Å²	141.6	80%	0.802	76%	0.76	S	S	*	*			trans	159.9	102.2	134	-78.9	-19.2	0	0	0	107.8	S513	S513-N515 PolarHBondContact O-N 3.5Å
516	L	27.2	Very low	33	Very low	183 Å²	183	141.1 Å²	141.1	96%	0.958	75%	0.749	S	S	*	*			trans	-156	139.4	143.5	-135.1	80.2	0	0	0	112
517	I	28.3	Very low	35.2	Very low	148 Å²	148	135.1 Å²	135.1	76%	0.759	73%	0.729	S	S	*	*			trans	-74.8	146	-169.9	-70.4	156.9	0	0	0	110.5	T519	I517-T519 PolarHBondContact O-N 3.39Å
518	T	27.2	Very low	37.6	Very low	108 Å²	108	135.8 Å²	135.8	66%	0.663	72%	0.719	S	S	*	*			trans	-45.5	106.9	177.4	-10	0	0	0	0	113.8	Q520	T518-Q520 HydrophobicContact CG2-CG 4.07Å
519	T	31.1	Very low	40.1	Very low	114 Å²	114	132.6 Å²	132.6	70%	0.699	69%	0.69	S	S	*	*			trans	-107.5	104.5	157	50.5	0	0	0	0	107.9	I517	I517-T519 PolarHBondContact O-N 3.39Å
520	Q	36.3	Very low	42.5	Very low	165 Å²	165	128.6 Å²	128.6	77%	0.771	67%	0.668	S	S	*	*			trans	-101.3	12.5	-158.8	-127.6	176	22.1	0	0	115.3	T518	T518-Q520 HydrophobicContact CG2-CG 4.07Å
521	S	43	Very low	44.9	Very low	99 Å²	99	124.9 Å²	124.9	69%	0.692	65%	0.651	S	S	*	*	S	Bend	trans	-94.1	-36.2	-176.8	57.8	0	0	0	0	115.1
522	D	43.8	Very low	47.3	Very low	126 Å²	126	113.7 Å²	113.7	67%	0.674	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-7.7	-171.4	-66.2	-0.4	0	0	0	113.9
523	H	45.8	Very low	50	Low	133 Å²	133	111 Å²	111	62%	0.616	59%	0.593	S	S	*	*	H	α-helix	trans	-80.7	-19.5	-176.7	-76.8	-54.5	0	0	0	114.2	T527	H523-T527 WeakPolarHBondContact O-CG2 3.47Å
524	K	48.4	Very low	52.6	Low	172 Å²	172	112 Å²	112	75%	0.748	58%	0.581	S	S	*	*	H	α-helix	trans	-70.8	-43.5	-178.2	-105.1	-178.3	176.2	-179.8	0	112.5	N526 T527	K524-N526 VanDerWaalsContact C-N 3.25Å; K524-N526 PolarHBondContact O-N 3.47Å; K524-T527 PolarHBondContact O-N 3.49Å; K524-T527 VanDerWaalsContact O-N 3.14Å; K524-T527 PolarHBondContact O-OG1 2.86Å
525	E	50.5	Low	55.1	Low	124 Å²	124	110 Å²	110	58%	0.579	56%	0.563	S	S	*	*	H	α-helix	trans	-63.8	-26.8	-177.5	-78.8	-175.9	161.7	0	0	113.7
526	N	63.8	Low	57.7	Low	93 Å²	93	103 Å²	103	50%	0.497	53%	0.525	S	S	.	.	H	α-helix	trans	-83.4	-21.8	177.2	-83.5	-37.7	0	0	0	114.1	K524 E528 V529 I530	K524-N526 VanDerWaalsContact C-N 3.25Å; K524-N526 PolarHBondContact O-N 3.47Å; N526-E528 PolarHBondContact O-N 3.39Å; N526-V529 PolarHBondContact O-N 3.33Å; N526-I530 WeakPolarHBondContact O-CD1 3.44Å; N526-I530 VanDerWaalsContact O-CG1 3.25Å; N526-I530 WeakPolarHBondContact O-CG1 3.19Å; N526-I530 PolarHBondContact O-N 2.88Å; N526-I530 VanDerWaalsContact O-N 3.1Å
527	T	71	Confident	60.1	Low	75 Å²	75	102.5 Å²	102.5	46%	0.46	51%	0.51	S	S	.	.	H	α-helix	trans	-66	-39.7	-177.4	50.6	0	0	0	0	112.8	H523 K524 V529 I530 E531	H523-T527 WeakPolarHBondContact O-CG2 3.47Å; K524-T527 PolarHBondContact O-N 3.49Å; K524-T527 VanDerWaalsContact O-N 3.14Å; K524-T527 PolarHBondContact O-OG1 2.86Å; T527-V529 PolarHBondContact O-N 3.41Å; T527-I530 PolarHBondContact O-N 3.42Å; T527-E531 WeakPolarHBondContact O-CG 3.49Å; T527-E531 PolarHBondContact O-N 2.87Å
528	E	72.1	Confident	62.5	Low	153 Å²	153	97.7 Å²	97.7	72%	0.715	48%	0.483	S	S	*	.	H	α-helix	trans	-64.1	-41	178.6	-64.9	-175.2	178.8	0	0	112.1	N526 E531 G532	N526-E528 PolarHBondContact O-N 3.39Å; E528-E531 PolarHBondContact O-N 3.07Å; E528-G532 PolarHBondContact O-N 2.88Å
529	V	76.2	Confident	65	Low	16 Å²	16	92.8 Å²	92.8	10%	0.097	45%	0.452	C	S	.	.	H	α-helix	trans	-64	-42.2	176.1	177.7	0	0	0	0	110.7	N526 T527 G532 Y533 I826 A829 K830	N526-V529 PolarHBondContact O-N 3.33Å; T527-V529 PolarHBondContact O-N 3.41Å; V529-G532 PolarHBondContact O-N 3.13Å; V529-Y533 HydrophobicContact CG1-CD2 3.89Å; V529-Y533 HydrophobicContact CG1-CE2 3.68Å; V529-Y533 WeakPolarHBondContact O-CD2 3.3Å; V529-Y533 PolarHBondContact O-N 2.99Å; V529-I826 HydrophobicContact CG1-CG2 4.36Å; V529-A829 HydrophobicContact CG2-CB 4.34Å; V529-K830 HydrophobicContact CG1-CG 4.44Å
530	I	75	Confident	67.5	Low	82 Å²	82	93.7 Å²	93.7	42%	0.421	44%	0.443	S	S	.	.	H	α-helix	trans	-63.2	-46.5	176.7	-68.1	165.8	0	0	0	110.8	N526 T527 G532 Y533 R534	N526-I530 WeakPolarHBondContact O-CD1 3.44Å; N526-I530 VanDerWaalsContact O-CG1 3.25Å; N526-I530 WeakPolarHBondContact O-CG1 3.19Å; N526-I530 PolarHBondContact O-N 2.88Å; N526-I530 VanDerWaalsContact O-N 3.1Å; T527-I530 PolarHBondContact O-N 3.42Å; I530-G532 VanDerWaalsContact C-N 3.35Å; I530-Y533 PolarHBondContact O-N 2.94Å; I530-R534 WeakPolarHBondContact O-CG 3.33Å; I530-R534 PolarHBondContact O-N 3.1Å
531	E	73.7	Confident	69.4	Low	84 Å²	84	91.6 Å²	91.6	39%	0.393	43%	0.428	S	S	.	.	H	α-helix	trans	-65	-38	177.2	-72	-53.8	139.4	0	0	112.1	T527 E528 Y533 R534 L535	T527-E531 WeakPolarHBondContact O-CG 3.49Å; T527-E531 PolarHBondContact O-N 2.87Å; E528-E531 PolarHBondContact O-N 3.07Å; E531-Y533 PolarHBondContact O-N 2.96Å; E531-R534 WeakPolarHBondContact O-CB 3.39Å; E531-R534 PolarHBondContact O-N 3.29Å; E531-R534 IonicContact OE1-CZ 3.42Å; E531-R534 IonicContact OE1-NE 3.76Å; E531-R534 IonicContact OE1-NH1 2.64Å; E531-R534 PolarHBondContact OE1-NH1 3.12Å; E531-L535 PolarHBondContact O-N 2.96Å
532	G	76.9	Confident	70.8	Confident	14 Å²	14	87.4 Å²	87.4	14%	0.144	40%	0.398	C	S	.	.	H	α-helix	trans	-56.8	-48.1	171.4	0	0	0	0	0	112	E528 V529 I530 R534 L535 L536 I826	E528-G532 PolarHBondContact O-N 2.88Å; V529-G532 PolarHBondContact O-N 3.13Å; I530-G532 VanDerWaalsContact C-N 3.35Å; G532-R534 VanDerWaalsContact C-N 3.33Å; G532-R534 PolarHBondContact O-N 3.49Å; G532-L535 PolarHBondContact O-N 3Å; G532-L536 WeakPolarHBondContact O-CB 3.46Å; G532-L536 PolarHBondContact O-N 3.21Å; G532-I826 WeakPolarHBondContact O-CD1 3.42Å
533	Y	83.1	Confident	72.3	Confident	86 Å²	86	84.7 Å²	84.7	34%	0.337	38%	0.378	S	S	.	.	H	α-helix	trans	-65.1	-34.6	176.3	-82.7	-61.4	0	0	0	113.3	V529 I530 E531 L536 R537 I826 K830	V529-Y533 HydrophobicContact CG1-CD2 3.89Å; V529-Y533 HydrophobicContact CG1-CE2 3.68Å; V529-Y533 WeakPolarHBondContact O-CD2 3.3Å; V529-Y533 PolarHBondContact O-N 2.99Å; I530-Y533 PolarHBondContact O-N 2.94Å; E531-Y533 PolarHBondContact O-N 2.96Å; Y533-L536 HydrophobicContact CD1-CD2 4.16Å; Y533-L536 HydrophobicContact CE1-CD2 4.39Å; Y533-R537 WeakPolarHBondContact O-CB 3.34Å; Y533-R537 PolarHBondContact O-N 3.4Å; Y533-I826 HydrophobicContact CD1-CD1 4.34Å; Y533-I826 HydrophobicContact CD2-CG2 4.29Å; Y533-I826 HydrophobicContact CE1-CD1 4.5Å; Y533-I826 HydrophobicContact CE1-CG2 4.14Å; Y533-I826 HydrophobicContact CE2-CG2 3.65Å; Y533-K830 WeakPolarHBondContact OH-CE 3.35Å; Y533-K830 PolarHBondContact OH-NZ 3.07Å
534	R	77.4	Confident	73.6	Confident	127 Å²	127	83.8 Å²	83.8	48%	0.479	37%	0.374	S	S	.	.	H	α-helix	trans	-62.2	-51.5	172.9	-71.8	173	-178	-175.5	-1.9	110.2	I530 E531 G532 L536 R537 R538	I530-R534 WeakPolarHBondContact O-CG 3.33Å; I530-R534 PolarHBondContact O-N 3.1Å; E531-R534 WeakPolarHBondContact O-CB 3.39Å; E531-R534 PolarHBondContact O-N 3.29Å; E531-R534 IonicContact OE1-CZ 3.42Å; E531-R534 IonicContact OE1-NE 3.76Å; E531-R534 IonicContact OE1-NH1 2.64Å; E531-R534 PolarHBondContact OE1-NH1 3.12Å; G532-R534 VanDerWaalsContact C-N 3.33Å; G532-R534 PolarHBondContact O-N 3.49Å; R534-L536 VanDerWaalsContact C-N 3.33Å; R534-L536 PolarHBondContact O-N 2.99Å; R534-R537 PolarHBondContact O-N 2.85Å; R534-R538 WeakPolarHBondContact O-CG 3.28Å; R534-R538 PolarHBondContact O-N 3.36Å
535	L	78.8	Confident	74.4	Confident	59 Å²	59	77 Å²	77	31%	0.309	35%	0.346	S	S	.	.	H	α-helix	trans	-57.4	-46	176.7	178.8	60.7	0	0	0	111.8	I469 E531 G532 R537 R538 L539 V822	I469-L535 HydrophobicContact CG2-CD1 4.09Å; E531-L535 PolarHBondContact O-N 2.96Å; G532-L535 PolarHBondContact O-N 3Å; L535-R537 VanDerWaalsContact C-N 3.32Å; L535-R537 PolarHBondContact O-N 3.18Å; L535-R538 WeakPolarHBondContact O-CB 3.36Å; L535-R538 PolarHBondContact O-N 3.08Å; L535-R538 VanDerWaalsContact O-N 3.11Å; L535-L539 HydrophobicContact CD1-CD1 4.3Å; L535-L539 HydrophobicContact CD1-CG 4.21Å; L535-L539 HydrophobicContact CG-CD1 4.06Å; L535-L539 HydrophobicContact CG-CG 4.41Å; L535-L539 WeakPolarHBondContact O-CG 3.5Å; L535-L539 PolarHBondContact O-N 3.37Å; L535-V822 HydrophobicContact CD2-CG1 4.26Å; L535-V822 HydrophobicContact CD2-CG2 3.9Å; L535-V822 HydrophobicContact CG-CG1 4.47Å; L535-V822 HydrophobicContact CG-CG2 4.49Å
536	L	82	Confident	75.1	Confident	3 Å²	3	71.1 Å²	71.1	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-59.5	-42	178.3	-173.8	72.1	0	0	0	112.1	G532 Y533 R534 L539 R540 I819 V822 Q823 I826	G532-L536 WeakPolarHBondContact O-CB 3.46Å; G532-L536 PolarHBondContact O-N 3.21Å; Y533-L536 HydrophobicContact CD1-CD2 4.16Å; Y533-L536 HydrophobicContact CE1-CD2 4.39Å; R534-L536 VanDerWaalsContact C-N 3.33Å; R534-L536 PolarHBondContact O-N 2.99Å; L536-L539 PolarHBondContact O-N 3.35Å; L536-R540 WeakPolarHBondContact O-CB 3.21Å; L536-R540 WeakPolarHBondContact O-CG 3.28Å; L536-R540 PolarHBondContact O-N 3.05Å; L536-I819 HydrophobicContact CD1-CB 4.48Å; L536-I819 HydrophobicContact CD1-CG2 3.82Å; L536-I819 WeakPolarHBondContact CD1-O 3.2Å; L536-V822 HydrophobicContact CB-CG1 4.22Å; L536-V822 HydrophobicContact CD1-CB 4.5Å; L536-V822 HydrophobicContact CD1-CG1 4.32Å; L536-Q823 HydrophobicContact CD1-CB 4.18Å; L536-I826 HydrophobicContact CB-CD1 4.3Å; L536-I826 HydrophobicContact CD2-CD1 4.26Å
537	R	78.5	Confident	75.3	Confident	171 Å²	171	67.7 Å²	67.7	65%	0.645	30%	0.302	S	S	*	.	H	α-helix	trans	-63.3	-40.7	175.1	-176.1	-177.5	-86.4	163.8	-6.2	111.4	Y533 R534 L535 R541	Y533-R537 WeakPolarHBondContact O-CB 3.34Å; Y533-R537 PolarHBondContact O-N 3.4Å; R534-R537 PolarHBondContact O-N 2.85Å; L535-R537 VanDerWaalsContact C-N 3.32Å; L535-R537 PolarHBondContact O-N 3.18Å; R537-R541 WeakPolarHBondContact O-CG 3.05Å; R537-R541 PolarHBondContact O-N 3.5Å; R537-R541 VanDerWaalsContact O-N 3.11Å
538	R	78.7	Confident	74.7	Confident	48 Å²	48	69.2 Å²	69.2	18%	0.181	30%	0.304	C	S	.	.	H	α-helix	trans	-63.1	-48.5	176.2	-63.2	173.5	-172.3	150.5	5.6	111.4	I469 S472 D473 R534 L535 R540 R541 L542	I469-R538 HydrophobicContact CG2-CB 4.05Å; I469-R538 HydrophobicContact CG2-CG 4.43Å; I469-R538 WeakPolarHBondContact O-CD 3.49Å; S472-R538 WeakPolarHBondContact OG-CG 3.44Å; D473-R538 VanDerWaalsContact CG-CZ 3.41Å; D473-R538 VanDerWaalsContact CG-NE 3.33Å; D473-R538 IonicContact OD1-CZ 3.06Å; D473-R538 IonicContact OD1-NE 2.74Å; D473-R538 PolarHBondContact OD1-NE 3.43Å; D473-R538 IonicContact OD1-NH2 2.72Å; D473-R538 PolarHBondContact OD1-NH2 2.66Å; D473-R538 IonicContact OD2-CZ 2.98Å; D473-R538 IonicContact OD2-NE 3.25Å; D473-R538 PolarHBondContact OD2-NE 3.24Å; D473-R538 IonicContact OD2-NH1 3.66Å; D473-R538 IonicContact OD2-NH2 2.79Å; D473-R538 PolarHBondContact OD2-NH2 3.39Å; R534-R538 WeakPolarHBondContact O-CG 3.28Å; R534-R538 PolarHBondContact O-N 3.36Å; L535-R538 WeakPolarHBondContact O-CB 3.36Å; L535-R538 PolarHBondContact O-N 3.08Å; L535-R538 VanDerWaalsContact O-N 3.11Å; R538-R540 PolarHBondContact O-N 3.44Å; R538-R541 WeakPolarHBondContact O-CB 3.32Å; R538-R541 PolarHBondContact O-N 3.18Å; R538-L542 PolarHBondContact O-N 2.93Å
539	L	79.2	Confident	73.6	Confident	5 Å²	5	65.9 Å²	65.9	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-42.8	178.6	-70.2	172.3	0	0	0	111.9	I469 L535 L536 R541 L542 Y543 I815 L818 I819 V822	I469-L539 HydrophobicContact CD1-CD2 3.8Å; I469-L539 HydrophobicContact CG1-CD2 4.49Å; L535-L539 HydrophobicContact CD1-CD1 4.3Å; L535-L539 HydrophobicContact CD1-CG 4.21Å; L535-L539 HydrophobicContact CG-CD1 4.06Å; L535-L539 HydrophobicContact CG-CG 4.41Å; L535-L539 WeakPolarHBondContact O-CG 3.5Å; L535-L539 PolarHBondContact O-N 3.37Å; L536-L539 PolarHBondContact O-N 3.35Å; L539-R541 PolarHBondContact O-N 3.03Å; L539-L542 PolarHBondContact O-N 3.18Å; L539-Y543 WeakPolarHBondContact O-CB 3.38Å; L539-Y543 PolarHBondContact O-N 2.58Å; L539-I815 HydrophobicContact CD2-CG2 4.4Å; L539-L818 HydrophobicContact CD1-CB 4.24Å; L539-I819 HydrophobicContact CB-CD1 4.23Å; L539-I819 HydrophobicContact CB-CG1 3.54Å; L539-I819 HydrophobicContact CD1-CG1 4.39Å; L539-V822 HydrophobicContact CD1-CB 4.48Å; L539-V822 HydrophobicContact CD1-CG2 3.97Å
540	R	83.5	Confident	72.1	Confident	132 Å²	132	66.4 Å²	66.4	50%	0.498	29%	0.292	S	S	.	.	H	α-helix	trans	-62.8	-39.2	176.2	-74.6	178.3	-176.9	179.2	3.7	112.7	L536 R538 H544 I819	L536-R540 WeakPolarHBondContact O-CB 3.21Å; L536-R540 WeakPolarHBondContact O-CG 3.28Å; L536-R540 PolarHBondContact O-N 3.05Å; R538-R540 PolarHBondContact O-N 3.44Å; R540-H544 WeakPolarHBondContact O-CB 3.43Å; R540-H544 PolarHBondContact O-N 3.18Å; R540-I819 HydrophobicContact CG-CD1 4.05Å; R540-I819 HydrophobicContact CG-CG1 4.44Å; R540-I819 HydrophobicContact CG-CG2 4.3Å
541	R	76.1	Confident	70.3	Confident	121 Å²	121	68.6 Å²	68.6	46%	0.457	30%	0.304	S	S	.	.	H	α-helix	trans	-62.2	-47.2	173.6	-75.3	176.9	176.6	-164.7	-3.2	111.2	E475 R537 R538 L539 H544 I545	E475-R541 IonicContact OE2-NH1 3.22Å; E475-R541 PolarHBondContact OE2-NH1 3.14Å; R537-R541 WeakPolarHBondContact O-CG 3.05Å; R537-R541 PolarHBondContact O-N 3.5Å; R537-R541 VanDerWaalsContact O-N 3.11Å; R538-R541 WeakPolarHBondContact O-CB 3.32Å; R538-R541 PolarHBondContact O-N 3.18Å; L539-R541 PolarHBondContact O-N 3.03Å; R541-H544 PolarHBondContact O-N 3.22Å; R541-I545 WeakPolarHBondContact O-CG1 3.45Å; R541-I545 PolarHBondContact O-N 2.62Å
542	L	71.8	Confident	68.5	Low	11 Å²	11	70.9 Å²	70.9	6%	0.058	31%	0.314	C	S	.	.	H	α-helix	trans	-63.5	-43.8	179.2	-169.2	67.9	0	0	0	111.9	V449 L465 L468 I469 R538 L539 H544 I545 L546 I815	V449-L542 HydrophobicContact CG1-CD1 4.48Å; L465-L542 HydrophobicContact CD2-CD2 3.68Å; L465-L542 HydrophobicContact CD2-CG 4.45Å; L468-L542 HydrophobicContact CB-CD1 4.18Å; L468-L542 HydrophobicContact CD1-CD1 4.23Å; I469-L542 HydrophobicContact CD1-CD2 4.45Å; I469-L542 HydrophobicContact CG1-CD2 4.07Å; R538-L542 PolarHBondContact O-N 2.93Å; L539-L542 PolarHBondContact O-N 3.18Å; L542-H544 VanDerWaalsContact C-N 3.31Å; L542-H544 PolarHBondContact O-N 3.19Å; L542-I545 PolarHBondContact O-N 3.21Å; L542-L546 HydrophobicContact CG-CD1 4.12Å; L542-L546 WeakPolarHBondContact O-CG 3.38Å; L542-L546 PolarHBondContact O-N 3.05Å; L542-I815 HydrophobicContact CD2-CD1 3.8Å; L542-I815 HydrophobicContact CD2-CG1 4.47Å; L542-I815 HydrophobicContact CG-CD1 4Å
543	Y	76.5	Confident	66.5	Low	69 Å²	69	73.6 Å²	73.6	27%	0.271	33%	0.325	S	S	.	.	H	α-helix	trans	-56.2	-47.1	172.7	179.5	-97.5	0	0	0	111.2	L539 I545 L546 S547 C812 I815 E816 I819	L539-Y543 WeakPolarHBondContact O-CB 3.38Å; L539-Y543 PolarHBondContact O-N 2.58Å; Y543-I545 VanDerWaalsContact C-N 3.33Å; Y543-I545 PolarHBondContact O-N 2.78Å; Y543-L546 PolarHBondContact O-N 3.18Å; Y543-L546 VanDerWaalsContact O-N 3.12Å; Y543-S547 VanDerWaalsContact O-CB 3.3Å; Y543-S547 WeakPolarHBondContact O-CB 3.32Å; Y543-S547 PolarHBondContact O-N 3.27Å; Y543-S547 PolarHBondContact O-OG 2.66Å; Y543-C812 WeakPolarHBondContact CD2-O 3.4Å; Y543-C812 HydrophobicContact CE2-CB 4.45Å; Y543-I815 HydrophobicContact CD2-CG2 4.41Å; Y543-E816 HydrophobicContact CD2-CB 4.17Å; Y543-E816 HydrophobicContact CE2-CB 3.73Å; Y543-E816 HydrophobicContact CE2-CG 4Å; Y543-E816 PolarHBondContact OH-OE2 2.88Å; Y543-E816 VanDerWaalsContact OH-OE2 3.13Å; Y543-I819 HydrophobicContact CD2-CD1 4.49Å; Y543-I819 HydrophobicContact CG-CD1 4.13Å
544	H	72.8	Confident	64.1	Low	114 Å²	114	74.5 Å²	74.5	53%	0.528	34%	0.34	S	S	.	.	H	α-helix	trans	-64.4	-37	-179.8	-162.9	32.8	0	0	0	112.7	R540 R541 L542 L546 S547 Q548	R540-H544 WeakPolarHBondContact O-CB 3.43Å; R540-H544 PolarHBondContact O-N 3.18Å; R541-H544 PolarHBondContact O-N 3.22Å; L542-H544 VanDerWaalsContact C-N 3.31Å; L542-H544 PolarHBondContact O-N 3.19Å; H544-L546 VanDerWaalsContact C-N 3.31Å; H544-L546 PolarHBondContact O-N 2.79Å; H544-S547 PolarHBondContact O-OG 2.87Å; H544-Q548 WeakPolarHBondContact O-CG 3.08Å
545	I	65.7	Low	61.8	Low	30 Å²	30	73.2 Å²	73.2	15%	0.154	35%	0.35	C	S	.	.	H	α-helix	trans	-61.6	-41.3	173.4	-72.2	166	0	0	0	110.9	P446 V449 R541 L542 Y543	P446-I545 HydrophobicContact CB-CG1 4.5Å; P446-I545 HydrophobicContact CB-CG2 4.04Å; V449-I545 HydrophobicContact CB-CG2 4.16Å; V449-I545 HydrophobicContact CG1-CG2 3.99Å; R541-I545 WeakPolarHBondContact O-CG1 3.45Å; R541-I545 PolarHBondContact O-N 2.62Å; L542-I545 PolarHBondContact O-N 3.21Å; Y543-I545 VanDerWaalsContact C-N 3.33Å; Y543-I545 PolarHBondContact O-N 2.78Å
546	L	65.3	Low	59.5	Low	0 Å²	0	74.7 Å²	74.7	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-82	-31.1	-175.6	-62.6	167	0	0	0	113.2	L453 L542 Y543 H544 Q548 L808 C812 I815	L453-L546 HydrophobicContact CD1-CD1 4.3Å; L453-L546 HydrophobicContact CD1-CD2 3.55Å; L453-L546 HydrophobicContact CD1-CG 4.44Å; L542-L546 HydrophobicContact CG-CD1 4.12Å; L542-L546 WeakPolarHBondContact O-CG 3.38Å; L542-L546 PolarHBondContact O-N 3.05Å; Y543-L546 PolarHBondContact O-N 3.18Å; Y543-L546 VanDerWaalsContact O-N 3.12Å; H544-L546 VanDerWaalsContact C-N 3.31Å; H544-L546 PolarHBondContact O-N 2.79Å; L546-Q548 VanDerWaalsContact C-N 3.35Å; L546-Q548 PolarHBondContact O-N 2.82Å; L546-L808 HydrophobicContact CB-CD2 4.42Å; L546-L808 HydrophobicContact CD2-CD2 3.51Å; L546-C812 VanDerWaalsContact C-SG 3.5Å; L546-C812 WeakPolarHBondContact CB-SG 3.3Å; L546-C812 PolarHBondContact O-SG 3.08Å; L546-I815 HydrophobicContact CD1-CD1 3.16Å
547	S	66.9	Low	56.8	Low	21 Å²	21	77.9 Å²	77.9	15%	0.147	39%	0.394	C	S	.	.	H	α-helix	trans	-75.3	-18.1	-175.9	77.6	0	0	0	0	113.9	Y543 H544 Q549 T550	Y543-S547 VanDerWaalsContact O-CB 3.3Å; Y543-S547 WeakPolarHBondContact O-CB 3.32Å; Y543-S547 PolarHBondContact O-N 3.27Å; Y543-S547 PolarHBondContact O-OG 2.66Å; H544-S547 PolarHBondContact O-OG 2.87Å; S547-Q549 PolarHBondContact O-N 2.94Å; S547-T550 PolarHBondContact O-N 3.11Å; S547-T550 PolarHBondContact O-OG1 3.45Å
548	Q	59.5	Low	54.3	Low	108 Å²	108	74.1 Å²	74.1	51%	0.505	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-4.6	-173.7	-84.1	178.3	18.2	0	0	116.7	H544 L546	H544-Q548 WeakPolarHBondContact O-CG 3.08Å; L546-Q548 VanDerWaalsContact C-N 3.35Å; L546-Q548 PolarHBondContact O-N 2.82Å
549	Q	48.1	Very low	52	Low	82 Å²	82	74.6 Å²	74.6	38%	0.383	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.6	11.9	163.1	-58.4	175.2	-29.2	0	0	114.7	S547 D551 H552	S547-Q549 PolarHBondContact O-N 2.94Å; Q549-D551 PolarHBondContact O-N 3.43Å; Q549-H552 PolarHBondContact O-N 3Å
550	T	44.7	Very low	49.6	Very low	28 Å²	28	76.2 Å²	76.2	17%	0.172	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-66.9	-27	177.3	48.8	0	0	0	0	112.1	S547 H552 L553 C812	S547-T550 PolarHBondContact O-N 3.11Å; S547-T550 PolarHBondContact O-OG1 3.45Å; T550-H552 VanDerWaalsContact C-N 3.27Å; T550-H552 PolarHBondContact O-N 2.91Å; T550-L553 PolarHBondContact O-N 3.37Å; T550-L553 VanDerWaalsContact O-N 3.12Å; T550-C812 HydrophobicContact CG2-CB 4.49Å
551	D	37.4	Very low	46.9	Very low	127 Å²	127	75.2 Å²	75.2	68%	0.679	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-69	-21.8	-177.2	-63.8	-14.2	0	0	0	113.7	Q549 L553 T554	Q549-D551 PolarHBondContact O-N 3.43Å; D551-L553 VanDerWaalsContact C-N 3.29Å; D551-T554 PolarHBondContact O-OG1 3.49Å
552	H	35.2	Very low	44.6	Very low	133 Å²	133	71.7 Å²	71.7	62%	0.616	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-82.3	-7.5	175.9	-53.7	-50.9	0	0	0	113.1	Q549 T550 S557	Q549-H552 PolarHBondContact O-N 3Å; T550-H552 VanDerWaalsContact C-N 3.27Å; T550-H552 PolarHBondContact O-N 2.91Å; H552-S557 WeakPolarHBondContact O-CB 3.49Å
553	L	34.9	Very low	42.3	Very low	70 Å²	70	75.6 Å²	75.6	37%	0.366	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-101.6	-5.1	-175.2	-65	171.5	0	0	0	113.7	T550 D551 S555	T550-L553 PolarHBondContact O-N 3.37Å; T550-L553 VanDerWaalsContact O-N 3.12Å; D551-L553 VanDerWaalsContact C-N 3.29Å; L553-S555 VanDerWaalsContact C-N 3.31Å; L553-S555 PolarHBondContact O-N 3.26Å
554	T	32.1	Very low	39.9	Very low	106 Å²	106	78.3 Å²	78.3	65%	0.65	44%	0.443	S	S	*	.	S	Bend	trans	-80.7	-2	-177.6	45.3	0	0	0	0	115.2	D551	D551-T554 PolarHBondContact O-OG1 3.49Å
555	S	30.5	Very low	37.7	Very low	100 Å²	100	77.5 Å²	77.5	70%	0.699	45%	0.45	S	S	*	.	S	Bend	trans	-156.8	105.3	168.7	56.3	0	0	0	0	111.7	L553 S557	L553-S555 VanDerWaalsContact C-N 3.31Å; L553-S555 PolarHBondContact O-N 3.26Å; S555-S557 PolarHBondContact O-N 2.82Å
556	A	30.1	Very low	35.8	Very low	89 Å²	89	81.4 Å²	81.4	74%	0.736	48%	0.481	S	S	*	.	S	Bend	trans	70.9	6.2	161.3	0	0	0	0	0	120.5	R261 M558	R261-A556 PolarHBondContact NH2-O 2.87Å; R261-A556 VanDerWaalsContact NH2-O 3.17Å; A556-M558 PolarHBondContact O-N 2.83Å; A556-M558 VanDerWaalsContact O-N 3.1Å
557	S	25.1	Very low	34	Very low	71 Å²	71	85.8 Å²	85.8	50%	0.497	52%	0.516	S	S	.	.			trans	-80.7	91.7	171.6	148.7	0	0	0	0	110.9	H552 S555	H552-S557 WeakPolarHBondContact O-CB 3.49Å; S555-S557 PolarHBondContact O-N 2.82Å
558	M	26.6	Very low	32	Very low	92 Å²	92	90.9 Å²	90.9	45%	0.453	54%	0.542	S	S	.	.			trans	-88.5	152.5	177.2	-49	-175.9	101.4	0	0	112.5	R261 A556	R261-M558 PolarHBondContact NH1-SD 3.09Å; A556-M558 PolarHBondContact O-N 2.83Å; A556-M558 VanDerWaalsContact O-N 3.1Å
559	N	29.6	Very low	30.5	Very low	58 Å²	58	91.6 Å²	91.6	31%	0.31	55%	0.554	S	S	.	*			trans	85	103.4	158.1	-56.9	-19	0	0	0	117.8	I561	N559-I561 HydrophobicContact CB-CG1 4.37Å
560	P	30.2	Very low	29.1	Very low	39 Å²	39	97.4 Å²	97.4	25%	0.253	57%	0.574	S	S	.	*			trans	-101.9	92.1	142.6	25.6	-6.4	0	0	0	109	A562 W801	P560-A562 VanDerWaalsContact C-N 3.32Å; P560-A562 PolarHBondContact O-N 2.81Å; P560-W801 HydrophobicContact CB-CZ3 4.25Å; P560-W801 HydrophobicContact CG-CD2 4.35Å; P560-W801 HydrophobicContact CG-CE3 3.29Å; P560-W801 HydrophobicContact CG-CH2 4.05Å; P560-W801 HydrophobicContact CG-CZ3 3.14Å
561	I	26.2	Very low	28.2	Very low	110 Å²	110	103.8 Å²	103.8	56%	0.564	60%	0.601	S	S	*	*			trans	-74	90.5	165.8	-59.7	167.9	0	0	0	106.6	R343 N559	R343-I561 VanDerWaalsContact CZ-O 3.3Å; R343-I561 PolarHBondContact NE-O 3.15Å; R343-I561 PolarHBondContact NH2-O 3.37Å; N559-I561 HydrophobicContact CB-CG1 4.37Å
562	A	27.3	Very low	27.5	Very low	48 Å²	48	106.5 Å²	106.5	40%	0.397	61%	0.61	S	S	.	*			trans	-93.7	103	163.7	0	0	0	0	0	106.8	P560 F564	P560-A562 VanDerWaalsContact C-N 3.32Å; P560-A562 PolarHBondContact O-N 2.81Å; A562-F564 HydrophobicContact CB-CD2 4.08Å; A562-F564 HydrophobicContact CB-CE2 3.54Å; A562-F564 HydrophobicContact CB-CZ 4.17Å; A562-F564 VanDerWaalsContact O-CD2 3.26Å; A562-F564 WeakPolarHBondContact O-CD2 3.36Å; A562-F564 PolarHBondContact O-N 3.34Å; A562-F564 VanDerWaalsContact O-N 3.11Å
563	S	23.9	Very low	26.9	Very low	93 Å²	93	103.4 Å²	103.4	65%	0.65	61%	0.614	S	S	*	*			trans	-68.2	99.6	172.7	45.3	0	0	0	0	109.1
564	F	26.7	Very low	26.3	Very low	125 Å²	125	105.7 Å²	105.7	55%	0.548	64%	0.636	S	S	.	*			trans	-89.8	96.2	169.5	-69.7	-84.4	0	0	0	108.3	A562 Y804	A562-F564 HydrophobicContact CB-CD2 4.08Å; A562-F564 HydrophobicContact CB-CE2 3.54Å; A562-F564 HydrophobicContact CB-CZ 4.17Å; A562-F564 VanDerWaalsContact O-CD2 3.26Å; A562-F564 WeakPolarHBondContact O-CD2 3.36Å; A562-F564 PolarHBondContact O-N 3.34Å; A562-F564 VanDerWaalsContact O-N 3.11Å; F564-Y804 WeakPolarHBondContact CD2-OH 3.21Å
565	S	26	Very low	25.8	Very low	97 Å²	97	111.4 Å²	111.4	68%	0.678	65%	0.645	S	S	*	*			trans	-86	131.5	168.7	72.5	0	0	0	0	110	A567	S565-A567 PolarHBondContact O-N 3.41Å
566	S	25.7	Very low	25.5	Very low	113 Å²	113	113.7 Å²	113.7	79%	0.79	65%	0.645	S	S	*	*			trans	-41.7	127.3	178.3	-138.4	0	0	0	0	113.2
567	A	26.3	Very low	25.4	Very low	91 Å²	91	117.4 Å²	117.4	75%	0.752	65%	0.652	S	S	*	*			trans	-86.8	123.7	173.5	0	0	0	0	0	110	S565	S565-A567 PolarHBondContact O-N 3.41Å
568	D	25.6	Very low	25.4	Very low	129 Å²	129	121.1 Å²	121.1	69%	0.69	67%	0.667	S	S	*	*			trans	-138.9	101.8	164.7	-77.1	-43.3	0	0	0	107.4
569	V	27.7	Very low	25.4	Very low	123 Å²	123	125.4 Å²	125.4	75%	0.745	69%	0.686	S	S	*	*				76.1	109.1	94.9	175.9	0	0	0	0	114
570	Y	20.3	Very low	25.3	Very low	204 Å²	204	127.8 Å²	127.8	80%	0.8	71%	0.707	S	S	*	*			trans	-156.1	108.7	144.2	-97.2	-79.8	0	0	0	109.4
571	H	24.6	Very low	25.4	Very low	162 Å²	162	131.5 Å²	131.5	75%	0.75	72%	0.724	S	S	*	*			trans	-148.6	110.8	144.7	-94.7	-61.4	0	0	0	108
572	Q	22.2	Very low	25.5	Very low	183 Å²	183	132.8 Å²	132.8	86%	0.855	73%	0.732	S	S	*	*			trans	-65.7	130.6	168.2	-81	158.3	-40.4	0	0	109.4
573	G	23.6	Very low	25.8	Very low	68 Å²	68	137.8 Å²	137.8	70%	0.701	75%	0.747	S	S	*	*			trans	174.2	72.3	179.5	0	0	0	0	0	110.8
574	S	21.5	Very low	26.8	Very low	119 Å²	119	141.7 Å²	141.7	83%	0.832	75%	0.752	S	S	*	*			trans	26.9	120.3	148.6	-45.6	0	0	0	0	119.7
575	R	21.6	Very low	27.9	Very low	226 Å²	226	140.1 Å²	140.1	85%	0.853	75%	0.753	S	S	*	*			trans	94.2	125.9	139.6	-124.8	179.2	155.4	135.5	-3	117.7
576	E	25.7	Very low	29.8	Very low	148 Å²	148	137.2 Å²	137.2	69%	0.692	74%	0.735	S	S	*	*			trans	88.3	85.7	159.6	-53.3	-172.1	-179.3	0	0	117.3	N578	E576-N578 PolarHBondContact O-N 2.77Å
577	N	26.4	Very low	32	Very low	166 Å²	166	133.4 Å²	133.4	89%	0.888	71%	0.71	S	S	*	*			trans	25.9	71.7	132.7	-62.1	-6.6	0	0	0	115.9
578	N	25.8	Very low	34.2	Very low	150 Å²	150	130 Å²	130	80%	0.802	68%	0.678	S	S	*	*			trans	-123.6	113.5	151.9	-83.6	-40.4	0	0	0	106.6	E576 S580	E576-N578 PolarHBondContact O-N 2.77Å; N578-S580 PolarHBondContact O-N 2.96Å
579	E	27.1	Very low	37	Very low	181 Å²	181	125.8 Å²	125.8	85%	0.846	66%	0.655	S	S	*	*			trans	-46.5	103.3	168.9	-71	177	143.1	0	0	107.9	L581	E579-L581 PolarHBondContact O-N 3.29Å
580	S	27.7	Very low	39.8	Very low	108 Å²	108	122.4 Å²	122.4	76%	0.755	63%	0.629	S	S	*	*			trans	-67.9	88.2	177.8	45.8	0	0	0	0	108	N578 N582	N578-S580 PolarHBondContact O-N 2.96Å; S580-N582 PolarHBondContact O-N 2.99Å
581	L	30.8	Very low	43	Very low	118 Å²	118	114.4 Å²	114.4	62%	0.618	60%	0.602	S	S	*	*			trans	-53.4	103	165.1	-100.6	82.9	0	0	0	107.8	E579 H583	E579-L581 PolarHBondContact O-N 3.29Å; L581-H583 PolarHBondContact O-CD2 2.82Å; L581-H583 PolarHBondContact O-N 2.9Å
582	N	29.4	Very low	46	Very low	136 Å²	136	108.3 Å²	108.3	73%	0.727	57%	0.572	S	S	*	*			trans	-58.2	86.2	156.7	-81.8	-22	0	0	0	107.6	S580 K584	S580-N582 PolarHBondContact O-N 2.99Å; N582-K584 PolarHBondContact O-N 2.9Å
583	H	33.9	Very low	49	Very low	154 Å²	154	103.5 Å²	103.5	71%	0.713	55%	0.552	S	S	*	*			trans	-65.8	79.8	171.5	-76.9	-76.5	0	0	0	108.5	L581 T585	L581-H583 PolarHBondContact O-CD2 2.82Å; L581-H583 PolarHBondContact O-N 2.9Å; H583-T585 PolarHBondContact O-N 3.42Å
584	K	44.6	Very low	51.7	Low	175 Å²	175	100.4 Å²	100.4	76%	0.761	52%	0.52	S	S	*	.			trans	-57.6	104.4	158.9	-68.7	-178.5	179.2	-179.3	0	106	N582 A586	N582-K584 PolarHBondContact O-N 2.9Å; K584-A586 PolarHBondContact O-N 3.19Å; K584-A586 VanDerWaalsContact O-N 3.1Å
585	T	49.9	Very low	54.3	Low	91 Å²	91	99.1 Å²	99.1	56%	0.558	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-54.3	117.8	-178.5	-30.2	0	0	0	0	108.3	H583	H583-T585 PolarHBondContact O-N 3.42Å
586	A	64.9	Low	55.6	Low	36 Å²	36	91.3 Å²	91.3	30%	0.298	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-66.1	143	-173.1	0	0	0	0	0	110.4	K584 H588	K584-A586 PolarHBondContact O-N 3.19Å; K584-A586 VanDerWaalsContact O-N 3.1Å; A586-H588 PolarHBondContact O-CD2 3.22Å; A586-H588 PolarHBondContact O-N 3.4Å
587	A	72.1	Confident	56.5	Low	33 Å²	33	88.2 Å²	88.2	27%	0.273	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-62.1	137.8	171.6	0	0	0	0	0	110.1	L789 A803	A587-L789 HydrophobicContact CB-CD1 3.8Å; A587-A803 HydrophobicContact CB-CB 3.91Å
588	H	72.9	Confident	56.9	Low	19 Å²	19	87.8 Å²	87.8	9%	0.088	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-94.1	116.9	178.3	-68.7	-86.7	0	0	0	109.5	P458 A586 P775 A803 Y804	P458-H588 WeakPolarHBondContact CD-NE2 3.45Å; P458-H588 HydrophobicContact CG-CB 4.4Å; A586-H588 PolarHBondContact O-CD2 3.22Å; A586-H588 PolarHBondContact O-N 3.4Å; H588-P775 HydrophobicContact CB-CG 4.05Å; H588-P775 WeakPolarHBondContact O-CD 3.23Å; H588-A803 PolarHBondContact N-O 2.71Å; H588-Y804 PolarHBondContact CD2-O 3.49Å; H588-Y804 VanDerWaalsContact CD2-O 3.31Å
589	M	85.1	Confident	57.2	Low	41 Å²	41	83.6 Å²	83.6	20%	0.202	47%	0.467	C	S	.	.			trans	-124.7	129.3	-178.1	-72.7	174.9	58.2	0	0	109.4	S772 L774 E782 I785 R786 L789	M589-S772 VanDerWaalsContact CE-OG 3.23Å; M589-S772 WeakPolarHBondContact CE-OG 3.07Å; M589-L774 HydrophobicContact CG-CD2 3.97Å; M589-E782 HydrophobicContact CE-CG 4.35Å; M589-I785 HydrophobicContact CE-CG2 3.5Å; M589-R786 HydrophobicContact CE-CB 4.37Å; M589-L789 HydrophobicContact CG-CD1 4.19Å; M589-L789 HydrophobicContact SD-CD1 3.58Å; M589-L789 VanDerWaalsContact SD-CD1 3.58Å
590	Y	85.3	Confident	57.2	Low	53 Å²	53	82.7 Å²	82.7	21%	0.208	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.8	176.1	-61.3	-89.1	0	0	0	108.6	W592 W751 S772 A773 P775 Q810	Y590-W592 VanDerWaalsContact O-CZ3 3.31Å; Y590-W592 WeakPolarHBondContact O-CZ3 3.3Å; Y590-W751 HydrophobicContact CD1-CZ2 4.2Å; Y590-W751 AromaticContact CD2-CH2 3.46Å; Y590-W751 HydrophobicContact CD2-CH2 3.46Å; Y590-W751 VanDerWaalsContact CD2-CH2 3.46Å; Y590-W751 AromaticContact CD2-CZ2 3.9Å; Y590-W751 HydrophobicContact CD2-CZ2 3.9Å; Y590-W751 HydrophobicContact CD2-CZ3 4.42Å; Y590-W751 HydrophobicContact CE2-CH2 4.25Å; Y590-W751 AromaticContact CG-CH2 3.66Å; Y590-W751 HydrophobicContact CG-CH2 3.66Å; Y590-W751 AromaticContact CG-CZ2 3.62Å; Y590-W751 HydrophobicContact CG-CZ2 3.62Å; Y590-S772 CarbonylContact O-C 3.53Å; Y590-S772 WeakPolarHBondContact O-CA 3.43Å; Y590-S772 PolarHBondContact O-OG 3.36Å; Y590-A773 PolarHBondContact N-O 3.49Å; Y590-A773 PolarHBondContact O-N 3.09Å; Y590-P775 HydrophobicContact CE2-CG 4.47Å; Y590-Q810 PolarHBondContact OH-NE2 3.04Å
591	T	88.1	Confident	57.3	Low	35 Å²	35	84.9 Å²	84.9	22%	0.215	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	144	-173.9	57.2	0	0	0	0	111.6	L771 E782	T591-L771 WeakPolarHBondContact CA-O 3.31Å; T591-E782 HydrophobicContact CG2-CG 4.04Å
592	W	87.4	Confident	57.2	Low	35 Å²	35	87.9 Å²	87.9	13%	0.133	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	167.5	173.1	69.5	99.4	0	0	0	110.2	Y590 W748 P749 V752 L771 A773	Y590-W592 VanDerWaalsContact O-CZ3 3.31Å; Y590-W592 WeakPolarHBondContact O-CZ3 3.3Å; W592-W748 AromaticContact CH2-CE3 3.92Å; W592-W748 HydrophobicContact CH2-CE3 3.92Å; W592-W748 AromaticContact CH2-CZ3 3.75Å; W592-W748 HydrophobicContact CH2-CZ3 3.75Å; W592-W748 HydrophobicContact CZ2-CD2 4.15Å; W592-W748 AromaticContact CZ2-CE3 3.29Å; W592-W748 HydrophobicContact CZ2-CE3 3.29Å; W592-W748 HydrophobicContact CZ2-CH2 4.15Å; W592-W748 AromaticContact CZ2-CZ3 3.32Å; W592-W748 HydrophobicContact CZ2-CZ3 3.32Å; W592-P749 HydrophobicContact CD2-CG 4.04Å; W592-P749 HydrophobicContact CE3-CG 4.13Å; W592-P749 HydrophobicContact CG-CG 4.37Å; W592-V752 HydrophobicContact CH2-CB 4.48Å; W592-V752 HydrophobicContact CH2-CG1 3.84Å; W592-V752 HydrophobicContact CH2-CG2 4.07Å; W592-V752 HydrophobicContact CZ2-CG1 4.36Å; W592-V752 HydrophobicContact CZ3-CG2 4.11Å; W592-L771 HydrophobicContact CD2-CB 4.22Å; W592-L771 HydrophobicContact CH2-CB 4.09Å; W592-L771 HydrophobicContact CZ2-CB 3.57Å; W592-L771 HydrophobicContact CZ2-CD1 3.95Å; W592-L771 HydrophobicContact CZ2-CG 4.41Å; W592-L771 PolarHBondContact N-O 3.23Å; W592-L771 PolarHBondContact O-N 2.95Å; W592-A773 HydrophobicContact CH2-CB 3.69Å; W592-A773 HydrophobicContact CZ3-CB 3.51Å; W592-A773 VanDerWaalsContact CZ3-N 3.32Å
593	N	85.1	Confident	57.1	Low	82 Å²	82	85.6 Å²	85.6	44%	0.439	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	138.1	176.3	-68.8	-25.7	0	0	0	110.6	L595 R770	N593-L595 HydrophobicContact CB-CG 4.27Å; N593-L595 PolarHBondContact O-N 3.46Å; N593-L595 VanDerWaalsContact O-N 3.1Å; N593-R770 VanDerWaalsContact OD1-CG 3.31Å; N593-R770 WeakPolarHBondContact OD1-CG 3.28Å
594	C	81.4	Confident	56.7	Low	2 Å²	2	86.9 Å²	86.9	1%	0.014	49%	0.492	C	S	.	.			trans	-68.2	104.1	169.1	-170.3	0	0	0	0	109.5	R766 L767 G768 V769 L771	C594-R766 VanDerWaalsContact CB-O 3.22Å; C594-R766 WeakPolarHBondContact CB-O 3.48Å; C594-R766 PolarHBondContact SG-O 2.92Å; C594-R766 VanDerWaalsContact SG-O 3.36Å; C594-L767 CarbonylContact O-C 3.54Å; C594-L767 WeakPolarHBondContact O-CA 3.47Å; C594-G768 PolarHBondContact O-N 3.4Å; C594-V769 VanDerWaalsContact CB-O 3.3Å; C594-V769 WeakPolarHBondContact CB-O 3.46Å; C594-V769 PolarHBondContact N-O 3.04Å; C594-L771 HydrophobicContact CB-CD1 3.9Å; C594-L771 HydrophobicContact CB-CG 4.02Å
595	L	74.3	Confident	56	Low	93 Å²	93	84.8 Å²	84.8	49%	0.487	50%	0.496	S	S	.	.			trans	-107.8	147	-175.7	-69.4	154.6	0	0	0	110.8	N593	N593-L595 HydrophobicContact CB-CG 4.27Å; N593-L595 PolarHBondContact O-N 3.46Å; N593-L595 VanDerWaalsContact O-N 3.1Å
596	S	50.1	Low	54.8	Low	61 Å²	61	88.5 Å²	88.5	43%	0.427	51%	0.506	S	S	.	.			trans	-80.8	138.5	163.6	55.1	0	0	0	0	108.8	L598	S596-L598 PolarHBondContact O-N 3.16Å
597	S	44	Very low	53	Low	84 Å²	84	91.4 Å²	91.4	59%	0.587	53%	0.525	S	S	*	.			trans	-44.3	116.7	169.9	178.7	0	0	0	0	109.4	G599	S597-G599 VanDerWaalsContact C-N 3.33Å; S597-G599 PolarHBondContact O-N 3.39Å
598	L	36.1	Very low	50.8	Low	156 Å²	156	95.2 Å²	95.2	82%	0.817	55%	0.549	S	S	*	.			trans	-61.2	101.4	170.7	-103.2	78.4	0	0	0	106.6	S596 N600	S596-L598 PolarHBondContact O-N 3.16Å; L598-N600 PolarHBondContact O-N 3.2Å
599	G	31.4	Very low	48.5	Very low	62 Å²	62	101.2 Å²	101.2	64%	0.639	59%	0.587	S	S	*	*			trans	-55.6	126.5	173.8	0	0	0	0	0	109.9	S597 N601	S597-G599 VanDerWaalsContact C-N 3.33Å; S597-G599 PolarHBondContact O-N 3.39Å; G599-N601 PolarHBondContact O-N 3.21Å; G599-N601 VanDerWaalsContact O-N 3.16Å
600	N	27.5	Very low	45.6	Very low	163 Å²	163	106.2 Å²	106.2	87%	0.872	61%	0.614	S	S	*	*			trans	-22.3	111.8	164.2	-93.5	-19.9	0	0	0	112.4	L598	L598-N600 PolarHBondContact O-N 3.2Å
601	N	28.7	Very low	42.8	Very low	153 Å²	153	108.4 Å²	108.4	82%	0.818	64%	0.638	S	S	*	*			trans	-143.8	117.4	150.9	-87.6	-35.9	0	0	0	108.4	G599 A603	G599-N601 PolarHBondContact O-N 3.21Å; G599-N601 VanDerWaalsContact O-N 3.16Å; N601-A603 VanDerWaalsContact C-N 3.31Å; N601-A603 PolarHBondContact O-N 2.92Å
602	N	28.4	Very low	40	Very low	181 Å²	181	112.4 Å²	112.4	97%	0.968	67%	0.667	S	S	*	*			trans	-51.5	91.1	169	-70.8	-42.6	0	0	0	109.9
603	A	27.1	Very low	37.2	Very low	89 Å²	89	117.1 Å²	117.1	74%	0.736	69%	0.69	S	S	*	*			trans	-121.3	117.5	165.9	0	0	0	0	0	107.4	N601	N601-A603 VanDerWaalsContact C-N 3.31Å; N601-A603 PolarHBondContact O-N 2.92Å
604	K	26	Very low	34.4	Very low	181 Å²	181	118.4 Å²	118.4	79%	0.787	70%	0.704	S	S	*	*			trans	-50.1	146.1	-179.9	-78.8	175.4	174.5	176.3	0	111.2	H606	K604-H606 PolarHBondContact O-N 3.46Å
605	P	29.7	Very low	31.8	Very low	130 Å²	130	124.1 Å²	124.1	84%	0.844	73%	0.731	S	S	*	*			trans	-73.6	97.5	-168.9	30.9	-33.2	0	0	0	110
606	H	25.2	Very low	29.7	Very low	169 Å²	169	123.9 Å²	123.9	78%	0.782	74%	0.736	S	S	*	*			trans	-93.3	109.1	162.3	-78.6	-79.8	0	0	0	108.7	K604	K604-H606 PolarHBondContact O-N 3.46Å
607	S	26.6	Very low	28.9	Very low	98 Å²	98	127.5 Å²	127.5	69%	0.685	75%	0.747	S	S	*	*	S	Bend	trans	46	111.6	149.9	56.4	0	0	0	0	119
608	S	25.9	Very low	28.3	Very low	112 Å²	112	127.1 Å²	127.1	78%	0.783	74%	0.741	S	S	*	*			trans	52.5	76.6	146.8	64	0	0	0	0	117
609	V	24.8	Very low	27.9	Very low	145 Å²	145	130.2 Å²	130.2	88%	0.879	74%	0.742	S	S	*	*			trans	-93.8	106.7	155.6	179.2	0	0	0	0	107.4	S611	V609-S611 PolarHBondContact O-N 3.13Å
610	N	25.5	Very low	27.6	Very low	146 Å²	146	136.1 Å²	136.1	78%	0.781	75%	0.75	S	S	*	*			trans	-52.1	127.8	174	-80.6	-26.9	0	0	0	110.2	S612	N610-S612 PolarHBondContact O-N 3.41Å
611	S	26.4	Very low	27.5	Very low	100 Å²	100	133.8 Å²	133.8	70%	0.699	75%	0.747	S	S	*	*			trans	-52	105.8	169.8	54.3	0	0	0	0	109.3	V609 H613	V609-S611 PolarHBondContact O-N 3.13Å; S611-H613 PolarHBondContact O-N 3.11Å
612	S	27.8	Very low	27.2	Very low	119 Å²	119	136 Å²	136	83%	0.832	75%	0.749	S	S	*	*			trans	-60.9	107.2	177.9	51.1	0	0	0	0	108.9	N610 C614	N610-S612 PolarHBondContact O-N 3.41Å; S612-C614 PolarHBondContact O-N 3.5Å
613	H	29.2	Very low	27	Very low	134 Å²	134	132.3 Å²	132.3	62%	0.62	74%	0.737	S	S	*	*			trans	-54.9	119.5	178.7	-92	56.6	0	0	0	111.7	S611 H615	S611-H613 PolarHBondContact O-N 3.11Å; H613-H615 VanDerWaalsContact C-N 3.28Å; H613-H615 VanDerWaalsContact CB-CD2 3.45Å; H613-H615 WeakPolarHBondContact CB-CD2 2.94Å; H613-H615 VanDerWaalsContact CB-NE2 3.3Å; H613-H615 WeakPolarHBondContact CB-NE2 3.47Å; H613-H615 AromaticContact CD2-CE1 3.06Å; H613-H615 PolarHBondContact CD2-CE1 2.89Å; H613-H615 AromaticContact CD2-ND1 3.63Å; H613-H615 AromaticContact CD2-NE2 3.51Å; H613-H615 AromaticContact CG-CE1 3.65Å; H613-H615 AromaticContact CG-NE2 3.59Å; H613-H615 AromaticContact NE2-CE1 3.99Å; H613-H615 PolarHBondContact O-N 2.98Å
614	C	26.3	Very low	26.9	Very low	109 Å²	109	135.7 Å²	135.7	74%	0.736	74%	0.743	S	S	*	*			trans	-65.1	93.2	150	-89.4	0	0	0	0	107.8	S612 S616	S612-C614 PolarHBondContact O-N 3.5Å; C614-S616 PolarHBondContact O-N 3.34Å
615	H	27.9	Very low	26.8	Very low	122 Å²	122	133.3 Å²	133.3	57%	0.565	74%	0.744	S	S	*	*			trans	-81.7	111.8	171.6	-75.9	-66.5	0	0	0	109.8	H613 Q617	H613-H615 VanDerWaalsContact C-N 3.28Å; H613-H615 VanDerWaalsContact CB-CD2 3.45Å; H613-H615 WeakPolarHBondContact CB-CD2 2.94Å; H613-H615 VanDerWaalsContact CB-NE2 3.3Å; H613-H615 WeakPolarHBondContact CB-NE2 3.47Å; H613-H615 AromaticContact CD2-CE1 3.06Å; H613-H615 PolarHBondContact CD2-CE1 2.89Å; H613-H615 AromaticContact CD2-ND1 3.63Å; H613-H615 AromaticContact CD2-NE2 3.51Å; H613-H615 AromaticContact CG-CE1 3.65Å; H613-H615 AromaticContact CG-NE2 3.59Å; H613-H615 AromaticContact NE2-CE1 3.99Å; H613-H615 PolarHBondContact O-N 2.98Å; H615-Q617 PolarHBondContact O-N 3.3Å; H615-Q617 VanDerWaalsContact O-N 3.16Å
616	S	29.9	Very low	26.5	Very low	87 Å²	87	136.7 Å²	136.7	61%	0.608	75%	0.745	S	S	*	*			trans	-66.2	105.1	159.7	52.2	0	0	0	0	108.3	C614 T618	C614-S616 PolarHBondContact O-N 3.34Å; S616-T618 PolarHBondContact O-N 3.02Å
617	Q	32.2	Very low	26.6	Very low	137 Å²	137	137.2 Å²	137.2	64%	0.64	75%	0.748	S	S	*	*			trans	-82.9	100.7	172.3	-68.8	-172	2.1	0	0	109	H615	H615-Q617 PolarHBondContact O-N 3.3Å; H615-Q617 VanDerWaalsContact O-N 3.16Å
618	T	32.3	Very low	27.1	Very low	77 Å²	77	137.9 Å²	137.9	47%	0.472	75%	0.75	S	S	.	*			trans	-85.6	137.2	158.8	49.2	0	0	0	0	108.5	S616 K620	S616-T618 PolarHBondContact O-N 3.02Å; T618-K620 PolarHBondContact O-N 3.3Å
619	R	26.4	Very low	27.1	Very low	220 Å²	220	140 Å²	140	83%	0.83	75%	0.751	S	S	*	*			trans	-54	101.1	-175.5	-175	-176.3	-174.5	-145	1.6	111.1
620	K	26.8	Very low	27	Very low	187 Å²	187	137.2 Å²	137.2	81%	0.813	74%	0.738	S	S	*	*			trans	-80.4	120.5	162.7	-75.3	-174.4	178.2	-179.4	0	108.5	T618 F622	T618-K620 PolarHBondContact O-N 3.3Å; K620-F622 PolarHBondContact O-N 3.25Å; K620-F622 VanDerWaalsContact O-N 3.16Å
621	S	24.1	Very low	27	Very low	114 Å²	114	137.7 Å²	137.7	80%	0.797	74%	0.741	S	S	*	*			trans	-55.3	110.6	175.4	44.3	0	0	0	0	110.7
622	F	22.9	Very low	27.1	Very low	198 Å²	198	139.3 Å²	139.3	87%	0.868	75%	0.746	S	S	*	*			trans	-78.4	120.4	167.3	-99.4	-92.3	0	0	0	109	K620 N624	K620-F622 PolarHBondContact O-N 3.25Å; K620-F622 VanDerWaalsContact O-N 3.16Å; F622-N624 PolarHBondContact O-N 3.06Å
623	S	24.7	Very low	27.1	Very low	104 Å²	104	139.6 Å²	139.6	73%	0.727	74%	0.743	S	S	*	*			trans	-65	121.3	166.1	35.6	0	0	0	0	109	T625	S623-T625 PolarHBondContact O-N 3.38Å
624	N	23.8	Very low	27	Very low	161 Å²	161	140.1 Å²	140.1	86%	0.861	75%	0.75	S	S	*	*			trans	-67	93.7	177.1	-96.8	-17.8	0	0	0	110.6	F622	F622-N624 PolarHBondContact O-N 3.06Å
625	T	25.4	Very low	27	Very low	131 Å²	131	141 Å²	141	80%	0.804	75%	0.752	S	S	*	*			trans	-87.9	99.3	152.9	11.8	0	0	0	0	108	S623 Q627	S623-T625 PolarHBondContact O-N 3.38Å; T625-Q627 PolarHBondContact O-N 3.2Å
626	K	23	Very low	26.9	Very low	200 Å²	200	141.6 Å²	141.6	87%	0.87	76%	0.759	S	S	*	*			trans	-54.6	119.6	168.6	-78.3	175.7	172.9	177.7	0	109.3
627	Q	26.2	Very low	26.7	Very low	180 Å²	180	148 Å²	148	84%	0.841	77%	0.772	S	S	*	*			trans	-124	134.3	149.8	-76.9	-169.1	-13.5	0	0	108.2	T625	T625-Q627 PolarHBondContact O-N 3.2Å
628	P	38.3	Very low	26.4	Very low	112 Å²	112	149 Å²	149	73%	0.727	78%	0.777	S	S	*	*			trans	-81.2	157.2	178.9	35.5	-31.6	0	0	0	109.2
629	I	24.5	Very low	26.2	Very low	157 Å²	157	149.1 Å²	149.1	81%	0.805	79%	0.785	S	S	*	*			trans	174.1	122.8	131.7	-86.3	151.8	0	0	0	111.1
630	S	24.3	Very low	26.3	Very low	86 Å²	86	147.6 Å²	147.6	60%	0.601	79%	0.788	S	S	*	*			trans	53.7	106.9	148.1	74.4	0	0	0	0	122.5
631	N	25.3	Very low	26.4	Very low	156 Å²	156	146 Å²	146	83%	0.834	79%	0.788	S	S	*	*				46.8	91.4	116.4	-55.7	-2.4	0	0	0	117.2
632	V	27.5	Very low	26.7	Very low	135 Å²	135	149.6 Å²	149.6	82%	0.818	79%	0.792	S	S	*	*			trans	-110.1	120.6	145.7	179.7	0	0	0	0	106.4	D634	V632-D634 PolarHBondContact O-N 3.44Å
633	V	27.3	Very low	27	Very low	125 Å²	125	150.6 Å²	150.6	76%	0.758	79%	0.792	S	S	*	*			trans	-66.8	104.2	-176.8	174.7	0	0	0	0	108.5	T635	V633-T635 PolarHBondContact O-N 3.41Å
634	D	27.2	Very low	27.3	Very low	145 Å²	145	154.5 Å²	154.5	78%	0.775	80%	0.799	S	S	*	*			trans	-76	115.8	164.3	-91.6	-29.7	0	0	0	107.9	V632 N636	V632-D634 PolarHBondContact O-N 3.44Å; D634-N636 PolarHBondContact O-N 3.47Å
635	T	26.9	Very low	27.4	Very low	127 Å²	127	154 Å²	154	78%	0.779	80%	0.796	S	S	*	*			trans	-68	99.9	173.9	47.7	0	0	0	0	108.9	V633 Y637	V633-T635 PolarHBondContact O-N 3.41Å; T635-Y637 PolarHBondContact O-N 2.83Å
636	N	26.9	Very low	27.7	Very low	134 Å²	134	153.9 Å²	153.9	72%	0.717	80%	0.795	S	S	*	*			trans	-57.6	112.8	166.7	-73.5	-9.3	0	0	0	109.4	D634 E638	D634-N636 PolarHBondContact O-N 3.47Å; N636-E638 HydrophobicContact CB-CG 4.44Å
637	Y	25.7	Very low	27.9	Very low	221 Å²	221	149.9 Å²	149.9	87%	0.867	79%	0.792	S	S	*	*			trans	-96.4	95.4	161.9	-171.1	-98.3	0	0	0	106.4	T635	T635-Y637 PolarHBondContact O-N 2.83Å
638	E	26.1	Very low	28.2	Very low	159 Å²	159	147 Å²	147	74%	0.743	79%	0.792	S	S	*	*			trans	-78.4	118.4	175	-70.2	177.3	171.3	0	0	108.1	N636	N636-E638 HydrophobicContact CB-CG 4.44Å
639	A	26.6	Very low	27.7	Very low	79 Å²	79	148.6 Å²	148.6	65%	0.653	79%	0.794	S	S	*	*			trans	-75.4	125	172.5	0	0	0	0	0	108.2	D641	A639-D641 PolarHBondContact O-N 2.98Å
640	E	28.3	Very low	27.8	Very low	189 Å²	189	147.1 Å²	147.1	88%	0.883	79%	0.788	S	S	*	*			trans	-68.1	114.5	178.7	-61.8	-175.6	165.4	0	0	109.6	E642	E640-E642 PolarHBondContact O-N 3.03Å
641	D	29.8	Very low	28	Very low	153 Å²	153	154.3 Å²	154.3	82%	0.818	80%	0.802	S	S	*	*			trans	-75	105.6	171.3	-75.7	-33.9	0	0	0	108.4	A639 Y643	A639-D641 PolarHBondContact O-N 2.98Å; D641-Y643 PolarHBondContact O-N 2.75Å
642	E	31	Very low	28.1	Very low	190 Å²	190	154.4 Å²	154.4	89%	0.888	80%	0.801	S	S	*	*			trans	-66	114.3	170.8	-75.3	179.8	162.2	0	0	109.9	E640 E644	E640-E642 PolarHBondContact O-N 3.03Å; E642-E644 PolarHBondContact O-N 3.23Å
643	Y	27.5	Very low	28	Very low	219 Å²	219	158 Å²	158	86%	0.859	80%	0.801	S	S	*	*			trans	-71.2	109.9	174	-119.4	-102.4	0	0	0	109.5	D641	D641-Y643 PolarHBondContact O-N 2.75Å
644	E	32.2	Very low	28.1	Very low	186 Å²	186	157.6 Å²	157.6	87%	0.869	80%	0.801	S	S	*	*			trans	-100.1	114.6	160.5	-83.7	-168.9	164.1	0	0	110	E642 T646	E642-E644 PolarHBondContact O-N 3.23Å; E644-T646 PolarHBondContact O-N 3.04Å
645	D	25.3	Very low	28.1	Very low	150 Å²	150	160.6 Å²	160.6	80%	0.802	81%	0.807	S	S	*	*			trans	-81.6	106.1	-176.9	-150	5.7	0	0	0	109
646	T	32.1	Very low	28.1	Very low	129 Å²	129	162.3 Å²	162.3	79%	0.791	81%	0.81	S	S	*	*			trans	-133.8	100.1	165.6	57	0	0	0	0	110.3	E644	E644-T646 PolarHBondContact O-N 3.04Å
647	S	26.5	Very low	28.1	Very low	116 Å²	116	160.9 Å²	160.9	81%	0.811	81%	0.811	S	S	*	*			trans	-64	120.6	162.4	52.5	0	0	0	0	110.6
648	S	32.5	Very low	28.2	Very low	118 Å²	118	154.9 Å²	154.9	83%	0.825	80%	0.801	S	S	*	*			trans	-175.3	129	143.1	54.3	0	0	0	0	110.4
649	D	27.4	Very low	28.2	Very low	146 Å²	146	155.9 Å²	155.9	78%	0.781	81%	0.81	S	S	*	*			trans	-57	154.4	-172.8	-109.9	-32.9	0	0	0	117.4
650	D	26.9	Very low	28.3	Very low	127 Å²	127	157.6 Å²	157.6	68%	0.679	81%	0.813	S	S	*	*			trans	57.9	101.7	145.8	-71.6	-28	0	0	0	120.9
651	R	29	Very low	28.1	Very low	237 Å²	237	160.3 Å²	160.3	89%	0.894	82%	0.815	S	S	*	*				179.1	125.3	107.3	-93.6	170	-126.9	-156.9	0.7	111.9	Y653	R651-Y653 PolarHBondContact O-N 3.42Å
652	I	26.7	Very low	27.8	Very low	158 Å²	158	164.4 Å²	164.4	81%	0.81	82%	0.819	S	S	*	*			trans	-71.8	113.4	-175.1	-63.6	159.9	0	0	0	111.2
653	Y	26.4	Very low	27.5	Very low	211 Å²	211	166.8 Å²	166.8	83%	0.827	82%	0.82	S	S	*	*			trans	-141.2	129.6	150.4	-79.4	-77.5	0	0	0	109.6	R651 K655	R651-Y653 PolarHBondContact O-N 3.42Å; Y653-K655 PolarHBondContact O-N 2.92Å; Y653-K655 VanDerWaalsContact O-N 3.13Å
654	P	28.4	Very low	27.3	Very low	115 Å²	115	167.6 Å²	167.6	75%	0.747	82%	0.823	S	S	*	*			trans	-75.3	107.5	-176.9	29.9	-30.9	0	0	0	109.7	I656	P654-I656 PolarHBondContact O-N 2.75Å; P654-I656 VanDerWaalsContact O-N 3.16Å
655	K	27.6	Very low	26.9	Very low	208 Å²	208	169.2 Å²	169.2	90%	0.904	82%	0.821	S	S	*	*			trans	-63.6	111.6	168	-80.3	178.8	177.2	173.5	0	109	Y653 S657	Y653-K655 PolarHBondContact O-N 2.92Å; Y653-K655 VanDerWaalsContact O-N 3.13Å; K655-S657 PolarHBondContact O-N 2.74Å; K655-S657 VanDerWaalsContact O-N 3.1Å
656	I	26.5	Very low	27	Very low	164 Å²	164	168.1 Å²	168.1	84%	0.841	82%	0.82	S	S	*	*			trans	-64.8	105.9	170.4	-63.5	169.7	0	0	0	107	P654 S658	P654-I656 PolarHBondContact O-N 2.75Å; P654-I656 VanDerWaalsContact O-N 3.16Å; I656-S658 PolarHBondContact O-N 2.96Å; I656-S658 VanDerWaalsContact O-N 3.11Å
657	S	27.7	Very low	26.7	Very low	104 Å²	104	169.8 Å²	169.8	73%	0.727	82%	0.818	S	S	*	*			trans	-68.5	106.5	175.4	51.3	0	0	0	0	109.4	K655 L659	K655-S657 PolarHBondContact O-N 2.74Å; K655-S657 VanDerWaalsContact O-N 3.1Å; S657-L659 PolarHBondContact O-N 2.94Å
658	S	28.5	Very low	26.8	Very low	94 Å²	94	172.1 Å²	172.1	66%	0.657	82%	0.821	S	S	*	*			trans	-64.4	113.2	165.3	48	0	0	0	0	108.3	I656 T660	I656-S658 PolarHBondContact O-N 2.96Å; I656-S658 VanDerWaalsContact O-N 3.11Å; S658-T660 PolarHBondContact O-N 3.35Å
659	L	25.9	Very low	26.4	Very low	180 Å²	180	172.3 Å²	172.3	94%	0.942	82%	0.821	S	S	*	*			trans	-63.6	78.6	170.7	-80.6	152.1	0	0	0	109.5	S657 R661	S657-L659 PolarHBondContact O-N 2.94Å; L659-R661 PolarHBondContact O-N 3.08Å
660	T	27.7	Very low	26.6	Very low	115 Å²	115	170.5 Å²	170.5	71%	0.706	82%	0.817	S	S	*	*			trans	-78.8	112.3	165	41.7	0	0	0	0	107.9	S658 R662	S658-T660 PolarHBondContact O-N 3.35Å; T660-R662 PolarHBondContact O-N 3.4Å
661	R	24.4	Very low	26.4	Very low	247 Å²	247	171.7 Å²	171.7	93%	0.932	82%	0.823	S	S	*	*			trans	-59.1	98.6	177.3	-156	177.9	-161	-156.7	4.3	108.6	L659 R663	L659-R661 PolarHBondContact O-N 3.08Å; R661-R663 PolarHBondContact O-N 2.87Å; R661-R663 VanDerWaalsContact O-N 3.11Å
662	R	23.3	Very low	26.3	Very low	239 Å²	239	168.6 Å²	168.6	90%	0.902	82%	0.823	S	S	*	*			trans	-52.2	113	-180	-76.1	-179.2	178.5	179.6	-1.7	110.1	T660	T660-R662 PolarHBondContact O-N 3.4Å
663	R	25.8	Very low	26.2	Very low	240 Å²	240	172.2 Å²	172.2	91%	0.906	83%	0.826	S	S	*	*			trans	-77.8	126.8	164.7	-78.5	-177.3	-173	159.1	4.1	107.9	R661 R665	R661-R663 PolarHBondContact O-N 2.87Å; R661-R663 VanDerWaalsContact O-N 3.11Å; R663-R665 PolarHBondContact O-N 2.89Å
664	Y	23.5	Very low	26	Very low	236 Å²	236	166.8 Å²	166.8	93%	0.925	82%	0.819	S	S	*	*			trans	-57.7	117	174.9	-79.7	-94.9	0	0	0	110.1
665	R	23.9	Very low	25.9	Very low	220 Å²	220	168.8 Å²	168.8	83%	0.83	82%	0.823	S	S	*	*			trans	-93.7	110.7	175.1	-159.9	178.9	-167.5	169.8	2.9	107.2	R663 H667	R663-R665 PolarHBondContact O-N 2.89Å; R665-H667 PolarHBondContact O-N 3.45Å
666	T	27.3	Very low	25.8	Very low	126 Å²	126	167.3 Å²	167.3	77%	0.773	82%	0.819	S	S	*	*			trans	-77.7	111.8	170.2	34.8	0	0	0	0	108.8	L668	T666-L668 PolarHBondContact O-N 2.79Å
667	H	25.2	Very low	25.7	Very low	165 Å²	165	166.9 Å²	166.9	76%	0.764	82%	0.818	S	S	*	*			trans	-70	108	169.6	-73.5	-97.4	0	0	0	108.8	R665 C669	R665-H667 PolarHBondContact O-N 3.45Å; H667-C669 PolarHBondContact O-N 3.36Å
668	L	27.7	Very low	25.5	Very low	165 Å²	165	167.2 Å²	167.2	86%	0.864	82%	0.821	S	S	*	*			trans	-78.2	104.7	166.7	-77.5	155	0	0	0	107.4	T666	T666-L668 PolarHBondContact O-N 2.79Å
669	C	23.8	Very low	25.4	Very low	122 Å²	122	169.8 Å²	169.8	82%	0.824	83%	0.827	S	S	*	*			trans	-64	129.3	171.8	-70.6	0	0	0	0	110.2	H667	H667-C669 PolarHBondContact O-N 3.36Å
670	P	32.1	Very low	25.4	Very low	107 Å²	107	166.6 Å²	166.6	70%	0.695	82%	0.817	S	S	*	*			trans	-86.2	153	175.6	34.1	-30.5	0	0	0	110.7
671	N	23.2	Very low	25.3	Very low	152 Å²	152	168.7 Å²	168.7	81%	0.813	82%	0.822	S	S	*	*			trans	117.8	88.7	164.5	-63.3	-30.9	0	0	0	114.3
672	I	27.1	Very low	25.3	Very low	173 Å²	173	163.3 Å²	163.3	89%	0.887	82%	0.817	S	S	*	*			trans	-131.8	107.8	140.2	-60.1	-178.3	0	0	0	107.1
673	R	23.9	Very low	25.3	Very low	233 Å²	233	157.6 Å²	157.6	88%	0.879	81%	0.808	S	S	*	*			trans	-61.2	136.6	174.4	-90	176.3	169.9	174.5	-3.8	110.4
674	S	23.1	Very low	25.5	Very low	98 Å²	98	151.6 Å²	151.6	69%	0.685	80%	0.803	S	S	*	*			trans	-39.9	125.8	163.3	52.2	0	0	0	0	113.8
675	N	25.1	Very low	26	Very low	156 Å²	156	145.5 Å²	145.5	83%	0.834	79%	0.792	S	S	*	*			trans	-122.2	114.6	154.9	-90.2	-15	0	0	0	109.1
676	H	25.1	Very low	26.2	Very low	177 Å²	177	140.1 Å²	140.1	82%	0.819	79%	0.789	S	S	*	*			trans	-53.8	127.2	167.6	-83.3	-102	0	0	0	110.7
677	L	25.3	Very low	26.1	Very low	156 Å²	156	139.1 Å²	139.1	82%	0.817	79%	0.787	S	S	*	*			trans	-134	99.4	152.8	-90.7	119	0	0	0	108.9
678	S	23.7	Very low	26.4	Very low	111 Å²	111	137 Å²	137	78%	0.776	79%	0.791	S	S	*	*			trans	-61.7	115.8	165.2	44.7	0	0	0	0	110.6
679	N	26.2	Very low	26.3	Very low	147 Å²	147	134.6 Å²	134.6	79%	0.786	79%	0.787	S	S	*	*			trans	-91.8	130.9	164.6	-83.4	-13.5	0	0	0	109.5
680	P	25.7	Very low	26.7	Very low	114 Å²	114	135 Å²	135	74%	0.74	79%	0.786	S	S	*	*			trans	-78.8	124.7	-175.8	31.3	-31.6	0	0	0	110.5	T682	P680-T682 PolarHBondContact O-N 3.39Å
681	I	26.5	Very low	26.4	Very low	159 Å²	159	134.2 Å²	134.2	82%	0.815	78%	0.783	S	S	*	*			trans	-75	110.2	174.1	-64.7	169.9	0	0	0	107.6
682	T	24.6	Very low	26.6	Very low	133 Å²	133	133.7 Å²	133.7	82%	0.816	78%	0.78	S	S	*	*			trans	-82	117.3	171.9	-17.1	0	0	0	0	108.6	P680	P680-T682 PolarHBondContact O-N 3.39Å
683	V	22	Very low	26.7	Very low	119 Å²	119	131 Å²	131	72%	0.721	77%	0.772	S	S	*	*			trans	-73.9	136.2	179.8	176	0	0	0	0	109.5
684	S	29.9	Very low	26.8	Very low	114 Å²	114	126.4 Å²	126.4	80%	0.797	77%	0.765	S	S	*	*			trans	-143.6	141.4	155.2	-61.1	0	0	0	0	109.5
685	P	35.1	Very low	27.2	Very low	108 Å²	108	128.5 Å²	128.5	70%	0.701	77%	0.774	S	S	*	*			trans	-110.7	176.5	-152.4	37.8	-25.1	0	0	0	113.3
686	S	27.5	Very low	27.2	Very low	108 Å²	108	128 Å²	128	76%	0.755	77%	0.77	S	S	*	*			trans	78.3	142.8	153.8	76.9	0	0	0	0	115.7
687	S	26	Very low	27.2	Very low	104 Å²	104	126.1 Å²	126.1	73%	0.727	77%	0.766	S	S	*	*			cis	171.5	125.7	-13.9	45.2	0	0	0	0	103.2
688	S	30.9	Very low	27.4	Very low	122 Å²	122	126.9 Å²	126.9	85%	0.853	77%	0.765	S	S	*	*			trans	-175.2	100.7	153.6	48.6	0	0	0	0	109.8
689	S	25	Very low	27.4	Very low	113 Å²	113	131.4 Å²	131.4	79%	0.79	77%	0.774	S	S	*	*			trans	-63.1	138.7	162.4	47.8	0	0	0	0	112.8
690	T	32.2	Very low	27.4	Very low	130 Å²	130	128.8 Å²	128.8	80%	0.798	77%	0.773	S	S	*	*			trans	-170	96.5	144.5	48.1	0	0	0	0	105.6
691	S	26.7	Very low	27.1	Very low	91 Å²	91	133.8 Å²	133.8	64%	0.636	78%	0.778	S	S	*	*				63.9	118.4	73.8	77.9	0	0	0	0	114.2
692	D	28.2	Very low	27	Very low	141 Å²	141	132.8 Å²	132.8	75%	0.754	77%	0.774	S	S	*	*			trans	78.6	138	143.9	-49.9	-23.9	0	0	0	117.8
693	T	28.6	Very low	27	Very low	117 Å²	117	133.1 Å²	133.1	72%	0.718	77%	0.771	S	S	*	*			cis	-168.4	161.4	-5.3	9.2	0	0	0	0	106.6
694	D	24.9	Very low	27	Very low	136 Å²	136	135.1 Å²	135.1	73%	0.727	78%	0.777	S	S	*	*			trans	-41.9	135.8	169.9	-58.8	-62	0	0	0	115.9
695	T	31.5	Very low	26.7	Very low	142 Å²	142	133.7 Å²	133.7	87%	0.871	77%	0.767	S	S	*	*			trans	-139.4	97.2	146.4	47.3	0	0	0	0	108.4
696	I	25.1	Very low	26.1	Very low	146 Å²	146	137.2 Å²	137.2	75%	0.749	77%	0.772	S	S	*	*			trans	-86.5	121.5	163.9	-66.7	167	0	0	0	105.6
697	D	26.4	Very low	26	Very low	138 Å²	138	140.1 Å²	140.1	74%	0.738	78%	0.778	S	S	*	*			trans	-155.1	124	159.5	-95.4	-29.4	0	0	0	112.7
698	H	29.3	Very low	25.9	Very low	171 Å²	171	143.5 Å²	143.5	79%	0.792	78%	0.782	S	S	*	*			trans	64.7	86.2	151.2	-66	-62.7	0	0	0	120.8	A700	H698-A700 PolarHBondContact O-N 2.88Å
699	E	23.6	Very low	25.5	Very low	206 Å²	206	143.7 Å²	143.7	96%	0.963	78%	0.783	S	S	*	*			trans	-80.3	105.2	151.7	-79.7	-172.9	150.4	0	0	110.5
700	A	24.9	Very low	25.4	Very low	92 Å²	92	148.8 Å²	148.8	76%	0.76	79%	0.785	S	S	*	*			trans	-107.5	120.5	165.4	0	0	0	0	0	110.2	H698	H698-A700 PolarHBondContact O-N 2.88Å
701	Y	21.3	Very low	25	Very low	220 Å²	220	152.4 Å²	152.4	86%	0.863	79%	0.79	S	S	*	*			trans	-2.4	121.9	147.8	-87.6	-97.1	0	0	0	117
702	L	23.5	Very low	24.9	Very low	138 Å²	138	155.8 Å²	155.8	72%	0.723	80%	0.799	S	S	*	*				163.1	127.2	115.3	-87.8	160.5	0	0	0	112.1
703	N	23.8	Very low	24.8	Very low	140 Å²	140	154 Å²	154	75%	0.749	80%	0.798	S	S	*	*			trans	23.6	107.9	136.7	-68.8	-20.1	0	0	0	117.6
704	N	23.5	Very low	24.6	Very low	161 Å²	161	158.4 Å²	158.4	86%	0.861	81%	0.807	S	S	*	*			trans	-132.1	89.6	151.8	-86	-38.1	0	0	0	110
705	S	22.7	Very low	24.5	Very low	84 Å²	84	162.5 Å²	162.5	59%	0.587	81%	0.812	S	S	*	*			trans	-62.1	151.5	145.5	45.9	0	0	0	0	109.5
706	F	23.4	Very low	24.2	Very low	182 Å²	182	160.8 Å²	160.8	80%	0.798	81%	0.806	S	S	*	*			trans	71.7	91	171.1	-52.7	-76.6	0	0	0	117
707	L	23.9	Very low	24.2	Very low	169 Å²	169	160.4 Å²	160.4	89%	0.885	81%	0.805	S	S	*	*			trans	-129.3	124.7	147.3	-81.7	177	0	0	0	111.8
708	H	23.9	Very low	24.3	Very low	175 Å²	175	161.4 Å²	161.4	81%	0.81	81%	0.81	S	S	*	*			trans	-52.7	140.9	-180	-85.8	17.7	0	0	0	113.9	R710	H708-R710 PolarHBondContact O-N 2.85Å
709	S	23.2	Very low	24.1	Very low	125 Å²	125	160.9 Å²	160.9	87%	0.874	81%	0.812	S	S	*	*			trans	-33.1	95.5	158.9	-167.4	0	0	0	0	112.6
710	R	22.7	Very low	24.1	Very low	221 Å²	221	156.5 Å²	156.5	83%	0.834	80%	0.804	S	S	*	*			trans	-100.9	111.9	169.7	-142.5	-178.8	-79.6	-174.1	-3	107.3	H708 I712	H708-R710 PolarHBondContact O-N 2.85Å; R710-I712 PolarHBondContact O-N 2.9Å
711	K	24.4	Very low	24	Very low	206 Å²	206	157.2 Å²	157.2	90%	0.896	80%	0.804	S	S	*	*			trans	-50.6	102.7	-179.7	-68.9	172	176.6	175	0	111.1	S713	K711-S713 PolarHBondContact O-N 3.43Å
712	I	24.9	Very low	24.2	Very low	162 Å²	162	154.2 Å²	154.2	83%	0.831	80%	0.802	S	S	*	*			trans	-89.8	106.7	168.9	-64	173.6	0	0	0	108	R710 K714	R710-I712 PolarHBondContact O-N 2.9Å; I712-K714 PolarHBondContact O-N 2.9Å
713	S	25.4	Very low	24.3	Very low	104 Å²	104	152.9 Å²	152.9	73%	0.727	81%	0.805	S	S	*	*			trans	-56.3	111.6	172.6	174.8	0	0	0	0	110.5	K711 R715	K711-S713 PolarHBondContact O-N 3.43Å; S713-R715 PolarHBondContact O-N 2.92Å
714	K	24.7	Very low	24.5	Very low	208 Å²	208	153.6 Å²	153.6	90%	0.904	81%	0.807	S	S	*	*			trans	-67.7	92.7	173.8	-69.1	179.4	177.7	179.5	0	109.9	I712	I712-K714 PolarHBondContact O-N 2.9Å
715	R	22.8	Very low	24.7	Very low	222 Å²	222	153.2 Å²	153.2	84%	0.838	80%	0.804	S	S	*	*			trans	-90.8	111.6	158.4	-113.3	179	171.2	174.1	-3.6	107.7	S713 N717	S713-R715 PolarHBondContact O-N 2.92Å; R715-N717 PolarHBondContact O-N 3.01Å
716	S	25.9	Very low	24.9	Very low	106 Å²	106	154.4 Å²	154.4	74%	0.741	81%	0.813	S	S	*	*			trans	-66.5	93.3	175.5	50.1	0	0	0	0	110.2	L718	S716-L718 PolarHBondContact O-N 3.44Å
717	N	24.8	Very low	25	Very low	138 Å²	138	152 Å²	152	74%	0.738	81%	0.813	S	S	*	*			trans	-81.2	105.3	165.9	-75.7	-11.4	0	0	0	108.3	R715 L719	R715-N717 PolarHBondContact O-N 3.01Å; N717-L719 PolarHBondContact O-N 2.95Å
718	L	26.9	Very low	25.2	Very low	159 Å²	159	149.4 Å²	149.4	83%	0.832	81%	0.809	S	S	*	*			trans	-60.8	107.5	168	-66.2	159.2	0	0	0	107.9	S716 S720	S716-L718 PolarHBondContact O-N 3.44Å; L718-S720 PolarHBondContact O-N 3.42Å; L718-S720 VanDerWaalsContact O-N 3.13Å
719	L	25.1	Very low	25.6	Very low	160 Å²	160	146.9 Å²	146.9	84%	0.838	81%	0.811	S	S	*	*			trans	-70.5	104.6	170.3	-77.1	105.3	0	0	0	108.8	N717 S721	N717-L719 PolarHBondContact O-N 2.95Å; L719-S721 PolarHBondContact O-N 3Å
720	S	24.1	Very low	25.9	Very low	115 Å²	115	146.5 Å²	146.5	80%	0.804	81%	0.808	S	S	*	*			trans	-73.3	95.3	167.4	-52.3	0	0	0	0	109.4	L718 N722	L718-S720 PolarHBondContact O-N 3.42Å; L718-S720 VanDerWaalsContact O-N 3.13Å; S720-N722 PolarHBondContact O-N 3.31Å
721	S	23.4	Very low	26.3	Very low	106 Å²	106	141.7 Å²	141.7	74%	0.741	81%	0.809	S	S	*	*			trans	-81	103.5	170.8	-57.7	0	0	0	0	109.9	L719	L719-S721 PolarHBondContact O-N 3Å
722	N	24.8	Very low	26.4	Very low	157 Å²	157	136.1 Å²	136.1	84%	0.84	80%	0.795	S	S	*	*			trans	-144.3	101.7	166.3	-90.3	-15.1	0	0	0	109.7	S720	S720-N722 PolarHBondContact O-N 3.31Å
723	S	25.4	Very low	26.6	Very low	111 Å²	111	139.5 Å²	139.5	78%	0.776	80%	0.799	S	S	*	*			trans	-162.1	78	153.7	60.8	0	0	0	0	108.8
724	I	29	Very low	26.6	Very low	154 Å²	154	142.3 Å²	142.3	79%	0.79	80%	0.803	S	S	*	*			trans	-89.4	111.8	168.2	-66	173.5	0	0	0	106.8	S726	I724-S726 PolarHBondContact O-N 2.92Å
725	L	27.5	Very low	26.9	Very low	154 Å²	154	138 Å²	138	81%	0.806	80%	0.799	S	S	*	*			trans	-63.9	121.7	165.6	-91.1	81.1	0	0	0	108.6
726	S	26.1	Very low	27.1	Very low	109 Å²	109	132 Å²	132	76%	0.762	79%	0.792	S	S	*	*			trans	-89.4	104.4	176.5	-54.8	0	0	0	0	108.5	I724	I724-S726 PolarHBondContact O-N 2.92Å
727	T	26.7	Very low	27.4	Very low	132 Å²	132	133.7 Å²	133.7	81%	0.81	79%	0.792	S	S	*	*			trans	-95.4	93.7	168	52.3	0	0	0	0	108.5	S729	T727-S729 PolarHBondContact O-N 3.22Å
728	S	26.9	Very low	27.5	Very low	113 Å²	113	135.1 Å²	135.1	79%	0.79	80%	0.8	S	S	*	*			trans	-83.6	102.2	172.8	47.5	0	0	0	0	110.1
729	S	32.4	Very low	27.5	Very low	123 Å²	123	133.8 Å²	133.8	86%	0.86	79%	0.792	S	S	*	*			trans	-115.4	97.4	162.8	-61.2	0	0	0	0	107.8	T727	T727-S729 PolarHBondContact O-N 3.22Å
730	S	30.2	Very low	27.5	Very low	116 Å²	116	133.8 Å²	133.8	81%	0.811	79%	0.793	S	S	*	*			trans	-78.6	130.9	-175.1	-157.4	0	0	0	0	110.9
731	S	30.5	Very low	27.7	Very low	121 Å²	121	135 Å²	135	85%	0.846	78%	0.784	S	S	*	*			trans	-144.7	127.2	150.7	-177.1	0	0	0	0	108.3
732	S	27.2	Very low	28.1	Very low	88 Å²	88	135.3 Å²	135.3	62%	0.615	79%	0.786	S	S	*	*			trans	-74.6	127.8	-155.7	46.5	0	0	0	0	115.6
733	Y	28.6	Very low	28.7	Very low	233 Å²	233	133.5 Å²	133.5	91%	0.914	78%	0.776	S	S	*	*				-145.5	96.6	129.4	-130.3	-95.4	0	0	0	107.7	S735	Y733-S735 PolarHBondContact O-N 3.45Å
734	M	25.9	Very low	29.1	Very low	163 Å²	163	130.5 Å²	130.5	80%	0.803	75%	0.754	S	S	*	*			trans	-72.4	111.4	179.8	-68.8	-89.5	110.3	0	0	108.7
735	S	30	Very low	29.9	Very low	117 Å²	117	130.3 Å²	130.3	82%	0.818	75%	0.754	S	S	*	*			trans	-105.9	107.2	157.2	-168	0	0	0	0	107.2	Y733 N737	Y733-S735 PolarHBondContact O-N 3.45Å; S735-N737 PolarHBondContact O-N 3.34Å
736	S	28.8	Very low	31.2	Very low	98 Å²	98	124.3 Å²	124.3	69%	0.685	72%	0.723	S	S	*	*	S	Bend	trans	-54.3	119.9	-174.2	-49.7	0	0	0	0	112.6
737	N	30.5	Very low	33	Very low	141 Å²	141	124.8 Å²	124.8	75%	0.754	72%	0.717	S	S	*	*			trans	157.5	49.2	137.2	-77.7	-12.9	0	0	0	112.6	S735 I739	S735-N737 PolarHBondContact O-N 3.34Å; N737-I739 PolarHBondContact O-N 3.43Å
738	D	26.7	Very low	35.4	Very low	167 Å²	167	120 Å²	120	89%	0.893	68%	0.684	S	S	*	*			trans	-76.7	71.9	167	-72.2	-35.8	0	0	0	110.1	N740	D738-N740 PolarHBondContact O-N 3.34Å
739	I	27.3	Very low	37.8	Very low	132 Å²	132	116.4 Å²	116.4	68%	0.677	66%	0.658	S	S	*	*			trans	-72.4	122.6	163.8	-63.6	176.1	0	0	0	107.1	N737 F741	N737-I739 PolarHBondContact O-N 3.43Å; I739-F741 PolarHBondContact O-N 3Å
740	N	24.8	Very low	39.8	Very low	160 Å²	160	114.1 Å²	114.1	86%	0.856	64%	0.642	S	S	*	*			trans	-46.2	91.8	176.7	-87.1	-42.8	0	0	0	112.5	D738 S742	D738-N740 PolarHBondContact O-N 3.34Å; N740-S742 PolarHBondContact O-N 3.45Å
741	F	28.4	Very low	41.9	Very low	140 Å²	140	109.8 Å²	109.8	61%	0.614	61%	0.608	S	S	*	*			trans	-74.9	89.8	173.1	-102.1	-86.2	0	0	0	109.5	I739 N743 P744 L767	I739-F741 PolarHBondContact O-N 3Å; F741-N743 PolarHBondContact O-N 2.83Å; F741-P744 HydrophobicContact CD1-CG 3.69Å; F741-P744 HydrophobicContact CE1-CG 3.88Å; F741-L767 HydrophobicContact CE1-CD1 4.19Å; F741-L767 HydrophobicContact CZ-CD1 3.91Å; F741-L767 HydrophobicContact CZ-CG 4.45Å
742	S	33.3	Very low	44.4	Very low	112 Å²	112	104.2 Å²	104.2	78%	0.783	57%	0.568	S	S	*	*			trans	-60.8	123.6	154.9	44.7	0	0	0	0	107.9	N740 P744	N740-S742 PolarHBondContact O-N 3.45Å; S742-P744 WeakPolarHBondContact O-CD 3.41Å
743	N	35.9	Very low	46.9	Very low	120 Å²	120	101.8 Å²	101.8	64%	0.642	55%	0.55	S	S	*	.			trans	-22.1	100.6	-176	-84.5	-19.4	0	0	0	114.8	F741 L745	F741-N743 PolarHBondContact O-N 2.83Å; N743-L745 VanDerWaalsContact C-N 3.27Å; N743-L745 PolarHBondContact O-N 3.11Å
744	P	35.6	Very low	49.2	Very low	48 Å²	48	95.3 Å²	95.3	31%	0.312	54%	0.537	S	S	.	.			trans	-72	99.2	154.4	30.6	-23.1	0	0	0	103.8	F741 S742 N746	F741-P744 HydrophobicContact CD1-CG 3.69Å; F741-P744 HydrophobicContact CE1-CG 3.88Å; S742-P744 WeakPolarHBondContact O-CD 3.41Å; P744-N746 PolarHBondContact O-N 3.48Å; P744-N746 PolarHBondContact O-OD1 3.42Å
745	L	45.5	Very low	51.8	Low	150 Å²	150	89.5 Å²	89.5	79%	0.785	51%	0.512	S	S	*	.			trans	-60.1	86.3	155.6	-111.8	89	0	0	0	104.7	N743	N743-L745 VanDerWaalsContact C-N 3.27Å; N743-L745 PolarHBondContact O-N 3.11Å
746	N	53.4	Low	54.3	Low	28 Å²	28	91.9 Å²	91.9	15%	0.15	51%	0.507	C	S	.	.			trans	-46.3	142.4	176.7	-67	-18	0	0	0	108.1	P744 W748	P744-N746 PolarHBondContact O-N 3.48Å; P744-N746 PolarHBondContact O-OD1 3.42Å; N746-W748 HydrophobicContact CB-CG 4.31Å; N746-W748 VanDerWaalsContact CB-NE1 3.26Å; N746-W748 PolarHBondContact ND2-NE1 2.99Å; N746-W748 VanDerWaalsContact O-CD1 3.25Å; N746-W748 PolarHBondContact O-N 3.4Å
747	D	64.8	Low	57.1	Low	118 Å²	118	90.9 Å²	90.9	63%	0.631	49%	0.492	S	S	*	.			trans	-67.2	67.7	169.7	-104.3	-20.5	0	0	0	109.2
748	W	77.6	Confident	60.1	Low	33 Å²	33	84.2 Å²	84.2	13%	0.125	46%	0.456	C	S	.	.			trans	-68.9	139.2	170.1	-71.3	87.5	0	0	0	107.5	W592 N746 S750 V752 C755 F765 L771	W592-W748 AromaticContact CH2-CE3 3.92Å; W592-W748 HydrophobicContact CH2-CE3 3.92Å; W592-W748 AromaticContact CH2-CZ3 3.75Å; W592-W748 HydrophobicContact CH2-CZ3 3.75Å; W592-W748 HydrophobicContact CZ2-CD2 4.15Å; W592-W748 AromaticContact CZ2-CE3 3.29Å; W592-W748 HydrophobicContact CZ2-CE3 3.29Å; W592-W748 HydrophobicContact CZ2-CH2 4.15Å; W592-W748 AromaticContact CZ2-CZ3 3.32Å; W592-W748 HydrophobicContact CZ2-CZ3 3.32Å; N746-W748 HydrophobicContact CB-CG 4.31Å; N746-W748 VanDerWaalsContact CB-NE1 3.26Å; N746-W748 PolarHBondContact ND2-NE1 2.99Å; N746-W748 VanDerWaalsContact O-CD1 3.25Å; N746-W748 PolarHBondContact O-N 3.4Å; W748-S750 PolarHBondContact O-N 3.1Å; W748-V752 HydrophobicContact CE3-CB 3.93Å; W748-V752 HydrophobicContact CE3-CG1 3.31Å; W748-V752 HydrophobicContact CZ3-CG1 3.5Å; W748-C755 VanDerWaalsContact CH2-SG 3.54Å; W748-C755 WeakPolarHBondContact CZ2-O 3.33Å; W748-F765 HydrophobicContact CH2-CD2 4.14Å; W748-F765 AromaticContact CH2-CE2 3.72Å; W748-F765 HydrophobicContact CH2-CE2 3.72Å; W748-F765 HydrophobicContact CH2-CZ 4.01Å; W748-F765 AromaticContact CZ2-CD2 3.79Å; W748-F765 HydrophobicContact CZ2-CD2 3.79Å; W748-F765 AromaticContact CZ2-CE2 3.77Å; W748-F765 HydrophobicContact CZ2-CE2 3.77Å; W748-F765 HydrophobicContact CZ2-CZ 4.48Å; W748-L771 HydrophobicContact CH2-CD1 4.05Å; W748-L771 HydrophobicContact CZ2-CD1 4.1Å
749	P	77.4	Confident	63.2	Low	37 Å²	37	79 Å²	79	24%	0.24	43%	0.43	C	S	.	.			trans	-53.5	136.3	167.7	-19.3	29.2	0	0	0	108.9	W592 W751 V752	W592-P749 HydrophobicContact CD2-CG 4.04Å; W592-P749 HydrophobicContact CE3-CG 4.13Å; W592-P749 HydrophobicContact CG-CG 4.37Å; P749-W751 PolarHBondContact O-N 3.26Å; P749-V752 HydrophobicContact CB-CG2 3.96Å; P749-V752 HydrophobicContact CG-CG2 3.99Å; P749-V752 PolarHBondContact O-N 3.3Å
750	S	73.7	Confident	66.3	Low	75 Å²	75	75 Å²	75	52%	0.524	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-18	-170.8	63.6	0	0	0	0	114.7	W748 Q813 Q817	W748-S750 PolarHBondContact O-N 3.1Å; S750-Q813 PolarHBondContact O-NE2 3.08Å; S750-Q817 PolarHBondContact OG-NE2 3.3Å
751	W	75.4	Confident	69.6	Low	24 Å²	24	69.3 Å²	69.3	9%	0.091	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-15.2	177.9	67.3	-93.7	0	0	0	115.2	Y590 P749 A773 L774 Q810 Q813	Y590-W751 HydrophobicContact CD1-CZ2 4.2Å; Y590-W751 AromaticContact CD2-CH2 3.46Å; Y590-W751 HydrophobicContact CD2-CH2 3.46Å; Y590-W751 VanDerWaalsContact CD2-CH2 3.46Å; Y590-W751 AromaticContact CD2-CZ2 3.9Å; Y590-W751 HydrophobicContact CD2-CZ2 3.9Å; Y590-W751 HydrophobicContact CD2-CZ3 4.42Å; Y590-W751 HydrophobicContact CE2-CH2 4.25Å; Y590-W751 AromaticContact CG-CH2 3.66Å; Y590-W751 HydrophobicContact CG-CH2 3.66Å; Y590-W751 AromaticContact CG-CZ2 3.62Å; Y590-W751 HydrophobicContact CG-CZ2 3.62Å; P749-W751 PolarHBondContact O-N 3.26Å; W751-A773 HydrophobicContact CH2-CB 3.63Å; W751-A773 HydrophobicContact CZ2-CB 4.48Å; W751-A773 HydrophobicContact CZ3-CB 4Å; W751-L774 WeakPolarHBondContact CZ3-O 3.32Å; W751-Q810 HydrophobicContact CD2-CG 4.07Å; W751-Q810 HydrophobicContact CE3-CB 4.35Å; W751-Q810 HydrophobicContact CE3-CG 3.96Å; W751-Q810 HydrophobicContact CG-CG 4.44Å; W751-Q810 HydrophobicContact CZ3-CG 4.39Å; W751-Q813 VanDerWaalsContact CA-CD 3.48Å; W751-Q813 HydrophobicContact CB-CB 3.93Å; W751-Q813 HydrophobicContact CB-CG 4.43Å; W751-Q813 PolarHBondContact O-OE1 3.43Å
752	V	81.9	Confident	72.6	Confident	4 Å²	4	71.5 Å²	71.5	2%	0.024	39%	0.388	C	S	.	.	S	Bend	trans	-84.5	131.2	178.1	-172.5	0	0	0	0	108.7	W592 W748 P749 P754 A773 G777	W592-V752 HydrophobicContact CH2-CB 4.48Å; W592-V752 HydrophobicContact CH2-CG1 3.84Å; W592-V752 HydrophobicContact CH2-CG2 4.07Å; W592-V752 HydrophobicContact CZ2-CG1 4.36Å; W592-V752 HydrophobicContact CZ3-CG2 4.11Å; W748-V752 HydrophobicContact CE3-CB 3.93Å; W748-V752 HydrophobicContact CE3-CG1 3.31Å; W748-V752 HydrophobicContact CZ3-CG1 3.5Å; P749-V752 HydrophobicContact CB-CG2 3.96Å; P749-V752 HydrophobicContact CG-CG2 3.99Å; P749-V752 PolarHBondContact O-N 3.3Å; V752-P754 VanDerWaalsContact O-CD 3.27Å; V752-P754 WeakPolarHBondContact O-CD 3.29Å; V752-A773 HydrophobicContact CB-CB 4.47Å; V752-A773 HydrophobicContact CG1-CB 3.82Å; V752-A773 HydrophobicContact CG2-CB 3.73Å; V752-G777 CarbonylContact C-O 3.58Å; V752-G777 WeakPolarHBondContact CA-O 3.43Å; V752-G777 WeakPolarHBondContact CG1-O 3.3Å
753	V	79	Confident	75.4	Confident	37 Å²	37	71.6 Å²	71.6	22%	0.224	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-66.7	117.2	175.3	-177.3	0	0	0	0	108.3	C755 G777 R809	V753-C755 PolarHBondContact O-N 3.34Å; V753-G777 PolarHBondContact N-O 3.39Å; V753-R809 VanDerWaalsContact CG2-NH1 3.25Å
754	P	77	Confident	77.9	Confident	98 Å²	98	73.4 Å²	73.4	64%	0.636	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-62.4	132.3	179.9	-21.5	33.1	0	0	0	111	V752	V752-P754 VanDerWaalsContact O-CD 3.27Å; V752-P754 WeakPolarHBondContact O-CD 3.29Å
755	C	81.7	Confident	80.3	Confident	41 Å²	41	72.2 Å²	72.2	28%	0.277	37%	0.369	S	S	.	.			trans	-137.3	152.9	173.2	53.5	0	0	0	0	110.9	W748 V753 F765	W748-C755 VanDerWaalsContact CH2-SG 3.54Å; W748-C755 WeakPolarHBondContact CZ2-O 3.33Å; V753-C755 PolarHBondContact O-N 3.34Å; C755-F765 HydrophobicContact CB-CE2 4.41Å; C755-F765 WeakPolarHBondContact O-CD2 3.31Å; C755-F765 WeakPolarHBondContact O-CE2 3.37Å; C755-F765 WeakPolarHBondContact SG-CE2 3.45Å
756	K	82	Confident	82	Confident	166 Å²	166	73.8 Å²	73.8	72%	0.722	36%	0.364	S	S	*	.	S	Bend	trans	-86.4	-24.1	-176.3	-65.3	-175.8	179	-178.8	0	113.2	F765	K756-F765 PolarHBondContact O-N 3.35Å
757	E	88.2	Confident	83.4	Confident	78 Å²	78	76.1 Å²	76.1	36%	0.364	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	159.1	-173.5	63.3	-170.3	-176	0	0	111.8	Q763 K764 F765	E757-Q763 WeakPolarHBondContact CA-O 3.32Å; E757-Q763 WeakPolarHBondContact CB-O 3.47Å; E757-K764 HydrophobicContact CB-CG 4.5Å; E757-F765 VanDerWaalsContact C-CE2 3.47Å
758	C	93.3	Very high	84.1	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	115.5	178.3	-179.8	0	0	0	0	110.3	V760 C761 W762 Q763 F765 H781	C758-V760 PolarHBondContact O-N 3.46Å; C758-C761 PolarHBondContact O-N 2.94Å; C758-W762 VanDerWaalsContact O-CA 3.23Å; C758-W762 WeakPolarHBondContact O-CA 3.4Å; C758-W762 PolarHBondContact O-N 3.41Å; C758-Q763 PolarHBondContact N-O 3.39Å; C758-F765 HydrophobicContact CB-CE1 3.75Å; C758-F765 HydrophobicContact CB-CZ 4.05Å; C758-H781 VanDerWaalsContact CB-ND1 3.27Å; C758-H781 WeakPolarHBondContact CB-ND1 3.5Å
759	V	91.6	Very high	84.5	Confident	59 Å²	59	74.3 Å²	74.3	36%	0.358	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.7	-178.9	-60.3	0	0	0	0	115	W762 F780 P797 V798	V759-W762 PolarHBondContact O-NE1 2.86Å; V759-F780 HydrophobicContact CG2-CD1 4.03Å; V759-F780 HydrophobicContact CG2-CE1 3.53Å; V759-P797 HydrophobicContact CG2-CB 4.31Å; V759-V798 HydrophobicContact CG1-CG2 4.43Å; V759-V798 HydrophobicContact CG2-CG2 3.69Å
760	V	91.1	Very high	85.2	Confident	48 Å²	48	77.8 Å²	77.8	29%	0.291	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-38.1	179.6	178.3	0	0	0	0	111.2	C758 F780 C784 P797	C758-V760 PolarHBondContact O-N 3.46Å; V760-F780 HydrophobicContact CG2-CD1 3.86Å; V760-F780 HydrophobicContact CG2-CE1 4.23Å; V760-C784 HydrophobicContact CB-CB 3.9Å; V760-C784 HydrophobicContact CG1-CB 3.88Å; V760-P797 HydrophobicContact CG2-CB 4.37Å; V760-P797 HydrophobicContact CG2-CG 3.89Å
761	C	94.8	Very high	86.1	Confident	40 Å²	40	74.3 Å²	74.3	27%	0.27	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-4.6	179.3	65.5	0	0	0	0	114.1	C758 Q763 H781 C784	C758-C761 PolarHBondContact O-N 2.94Å; C761-Q763 PolarHBondContact O-N 3.39Å; C761-H781 PolarHBondContact SG-ND1 3.1Å; C761-C784 VanDerWaalsContact SG-SG 3.61Å
762	W	92	Very high	86.9	Confident	185 Å²	185	73.1 Å²	73.1	70%	0.701	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	26.8	-176.8	-57.5	83.2	0	0	0	114.3	C758 V759	C758-W762 VanDerWaalsContact O-CA 3.23Å; C758-W762 WeakPolarHBondContact O-CA 3.4Å; C758-W762 PolarHBondContact O-N 3.41Å; V759-W762 PolarHBondContact O-NE1 2.86Å
763	Q	91.1	Very high	87.3	Confident	114 Å²	114	73 Å²	73	53%	0.533	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	140.5	177	-64.8	177.2	-8.8	0	0	111.2	E757 C758 C761	E757-Q763 WeakPolarHBondContact CA-O 3.32Å; E757-Q763 WeakPolarHBondContact CB-O 3.47Å; C758-Q763 PolarHBondContact N-O 3.39Å; C761-Q763 PolarHBondContact O-N 3.39Å
764	K	89.3	Confident	87.8	Confident	159 Å²	159	71.2 Å²	71.2	69%	0.691	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.6	144.9	172.3	-65.8	179.3	-178.1	173.9	0	111.3	E757 R766	E757-K764 HydrophobicContact CB-CG 4.5Å; K764-R766 PolarHBondContact O-N 2.86Å
765	F	85.4	Confident	88.1	Confident	23 Å²	23	66.5 Å²	66.5	10%	0.101	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-69.8	126.9	175.8	-58.8	-64.7	0	0	0	110.8	W748 C755 K756 E757 C758 L771 H781	W748-F765 HydrophobicContact CH2-CD2 4.14Å; W748-F765 AromaticContact CH2-CE2 3.72Å; W748-F765 HydrophobicContact CH2-CE2 3.72Å; W748-F765 HydrophobicContact CH2-CZ 4.01Å; W748-F765 AromaticContact CZ2-CD2 3.79Å; W748-F765 HydrophobicContact CZ2-CD2 3.79Å; W748-F765 AromaticContact CZ2-CE2 3.77Å; W748-F765 HydrophobicContact CZ2-CE2 3.77Å; W748-F765 HydrophobicContact CZ2-CZ 4.48Å; C755-F765 HydrophobicContact CB-CE2 4.41Å; C755-F765 WeakPolarHBondContact O-CD2 3.31Å; C755-F765 WeakPolarHBondContact O-CE2 3.37Å; C755-F765 WeakPolarHBondContact SG-CE2 3.45Å; K756-F765 PolarHBondContact O-N 3.35Å; E757-F765 VanDerWaalsContact C-CE2 3.47Å; C758-F765 HydrophobicContact CB-CE1 3.75Å; C758-F765 HydrophobicContact CB-CZ 4.05Å; F765-L771 HydrophobicContact CB-CD2 4.35Å; F765-L771 HydrophobicContact CD1-CD1 4.24Å; F765-L771 HydrophobicContact CD1-CD2 3.26Å; F765-L771 HydrophobicContact CD1-CG 4.39Å; F765-L771 HydrophobicContact CE1-CD2 3.76Å; F765-L771 HydrophobicContact CG-CD1 4.3Å; F765-L771 HydrophobicContact CG-CD2 4.03Å; F765-H781 AromaticContact CD1-CD2 3.68Å; F765-H781 AromaticContact CD1-CE1 3.99Å; F765-H781 AromaticContact CD1-NE2 3.44Å; F765-H781 WeakPolarHBondContact CD1-NE2 3.46Å
766	R	81.7	Confident	88.1	Confident	182 Å²	182	64.8 Å²	64.8	69%	0.687	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-97.3	148.8	176.4	-60.9	179.9	-178	176	-1	110.7	C594 K764 V769	C594-R766 VanDerWaalsContact CB-O 3.22Å; C594-R766 WeakPolarHBondContact CB-O 3.48Å; C594-R766 PolarHBondContact SG-O 2.92Å; C594-R766 VanDerWaalsContact SG-O 3.36Å; K764-R766 PolarHBondContact O-N 2.86Å; R766-V769 HydrophobicContact CB-CG2 3.8Å; R766-V769 WeakPolarHBondContact O-CB 3.41Å; R766-V769 PolarHBondContact O-N 3.13Å
767	L	81.8	Confident	88.3	Confident	77 Å²	77	57 Å²	57	40%	0.403	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	144.2	173.6	-61.9	178.6	0	0	0	110.7	C594 F741 V769	C594-L767 CarbonylContact O-C 3.54Å; C594-L767 WeakPolarHBondContact O-CA 3.47Å; F741-L767 HydrophobicContact CE1-CD1 4.19Å; F741-L767 HydrophobicContact CZ-CD1 3.91Å; F741-L767 HydrophobicContact CZ-CG 4.45Å; L767-V769 PolarHBondContact O-N 2.97Å
768	G	79.6	Confident	88.5	Confident	60 Å²	60	55.3 Å²	55.3	62%	0.619	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	-10.9	-176.7	0	0	0	0	0	115	C594	C594-G768 PolarHBondContact O-N 3.4Å
769	V	86.6	Confident	88.4	Confident	53 Å²	53	55.5 Å²	55.5	32%	0.321	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-76.7	140.2	178.4	-179.3	0	0	0	0	110.6	C594 R766 L767 L771	C594-V769 VanDerWaalsContact CB-O 3.3Å; C594-V769 WeakPolarHBondContact CB-O 3.46Å; C594-V769 PolarHBondContact N-O 3.04Å; R766-V769 HydrophobicContact CB-CG2 3.8Å; R766-V769 WeakPolarHBondContact O-CB 3.41Å; R766-V769 PolarHBondContact O-N 3.13Å; L767-V769 PolarHBondContact O-N 2.97Å; V769-L771 PolarHBondContact O-N 3.41Å
770	R	91.1	Very high	88.5	Confident	111 Å²	111	52.7 Å²	52.7	42%	0.419	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	121	173.4	-75.9	178.5	58.6	130.8	0.2	111.1	N593 E782	N593-R770 VanDerWaalsContact OD1-CG 3.31Å; N593-R770 WeakPolarHBondContact OD1-CG 3.28Å; R770-E782 HydrophobicContact CB-CB 4.28Å; R770-E782 WeakPolarHBondContact CB-OE2 3.37Å; R770-E782 IonicContact CZ-OE1 2.66Å; R770-E782 IonicContact CZ-OE2 3.41Å; R770-E782 IonicContact NE-OE1 2.85Å; R770-E782 IonicContact NE-OE2 3.91Å; R770-E782 PolarHBondContact NE-OE2 2.9Å; R770-E782 IonicContact NH2-OE1 3.91Å; R770-E782 PolarHBondContact NH2-OE1 3.21Å; R770-E782 VanDerWaalsContact NH2-OE1 3.12Å; R770-E782 IonicContact NH2-OE2 3.67Å; R770-E782 PolarHBondContact NH2-OE2 3.16Å; R770-E782 PolarHBondContact O-N 3.33Å
771	L	92.6	Very high	88.7	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	155.4	175.3	-55.5	-173.3	0	0	0	109.6	T591 W592 C594 W748 F765 V769 F780	T591-L771 WeakPolarHBondContact CA-O 3.31Å; W592-L771 HydrophobicContact CD2-CB 4.22Å; W592-L771 HydrophobicContact CH2-CB 4.09Å; W592-L771 HydrophobicContact CZ2-CB 3.57Å; W592-L771 HydrophobicContact CZ2-CD1 3.95Å; W592-L771 HydrophobicContact CZ2-CG 4.41Å; W592-L771 PolarHBondContact N-O 3.23Å; W592-L771 PolarHBondContact O-N 2.95Å; C594-L771 HydrophobicContact CB-CD1 3.9Å; C594-L771 HydrophobicContact CB-CG 4.02Å; W748-L771 HydrophobicContact CH2-CD1 4.05Å; W748-L771 HydrophobicContact CZ2-CD1 4.1Å; F765-L771 HydrophobicContact CB-CD2 4.35Å; F765-L771 HydrophobicContact CD1-CD1 4.24Å; F765-L771 HydrophobicContact CD1-CD2 3.26Å; F765-L771 HydrophobicContact CD1-CG 4.39Å; F765-L771 HydrophobicContact CE1-CD2 3.76Å; F765-L771 HydrophobicContact CG-CD1 4.3Å; F765-L771 HydrophobicContact CG-CD2 4.03Å; V769-L771 PolarHBondContact O-N 3.41Å; L771-F780 CarbonylContact C-O 3.6Å; L771-F780 WeakPolarHBondContact CA-O 3.37Å
772	S	91.9	Very high	88.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	139.2	174	-171.8	0	0	0	0	110.9	M589 Y590 G779 F780	M589-S772 VanDerWaalsContact CE-OG 3.23Å; M589-S772 WeakPolarHBondContact CE-OG 3.07Å; Y590-S772 CarbonylContact O-C 3.53Å; Y590-S772 WeakPolarHBondContact O-CA 3.43Å; Y590-S772 PolarHBondContact O-OG 3.36Å; S772-G779 CarbonylContact O-C 3.58Å; S772-G779 WeakPolarHBondContact O-CA 3.26Å; S772-F780 PolarHBondContact N-O 3.4Å; S772-F780 PolarHBondContact O-N 3.28Å
773	A	90.6	Very high	88.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	146.9	169.8	0	0	0	0	0	111.2	Y590 W592 W751 V752 H778	Y590-A773 PolarHBondContact N-O 3.49Å; Y590-A773 PolarHBondContact O-N 3.09Å; W592-A773 HydrophobicContact CH2-CB 3.69Å; W592-A773 HydrophobicContact CZ3-CB 3.51Å; W592-A773 VanDerWaalsContact CZ3-N 3.32Å; W751-A773 HydrophobicContact CH2-CB 3.63Å; W751-A773 HydrophobicContact CZ2-CB 4.48Å; W751-A773 HydrophobicContact CZ3-CB 4Å; V752-A773 HydrophobicContact CB-CB 4.47Å; V752-A773 HydrophobicContact CG1-CB 3.82Å; V752-A773 HydrophobicContact CG2-CB 3.73Å; A773-H778 VanDerWaalsContact CA-O 3.25Å; A773-H778 WeakPolarHBondContact CA-O 3.29Å
774	L	90	Very high	88.9	Confident	0 Å²	0	45 Å²	45	0%	0	21%	0.214	C	C	.	.			trans	-87.2	165.8	168.4	-66.9	-176.3	0	0	0	110.4	M589 W751 C776 G777 H778 F780 I785 L789 C796 A803	M589-L774 HydrophobicContact CG-CD2 3.97Å; W751-L774 WeakPolarHBondContact CZ3-O 3.32Å; L774-C776 PolarHBondContact O-N 3.03Å; L774-G777 PolarHBondContact O-N 3.22Å; L774-H778 PolarHBondContact N-O 3.02Å; L774-H778 VanDerWaalsContact N-O 3.13Å; L774-F780 HydrophobicContact CD1-CE2 4.18Å; L774-F780 HydrophobicContact CG-CE2 4.17Å; L774-I785 HydrophobicContact CD1-CD1 4.03Å; L774-I785 HydrophobicContact CD1-CG1 4.28Å; L774-I785 HydrophobicContact CD2-CG1 4.22Å; L774-I785 HydrophobicContact CG-CD1 4.48Å; L774-I785 HydrophobicContact CG-CG1 4.22Å; L774-L789 HydrophobicContact CD2-CD1 4.36Å; L774-C796 HydrophobicContact CD1-CB 3.62Å; L774-A803 HydrophobicContact CD1-CB 4.15Å; L774-A803 HydrophobicContact CD2-CB 3.88Å
775	P	83.1	Confident	89.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-31.6	-176.3	-27.2	37.6	0	0	0	113.2	H588 Y590 G777 A805 H807	H588-P775 HydrophobicContact CB-CG 4.05Å; H588-P775 WeakPolarHBondContact O-CD 3.23Å; Y590-P775 HydrophobicContact CE2-CG 4.47Å; P775-G777 PolarHBondContact O-N 2.97Å; P775-A805 WeakPolarHBondContact CB-O 3.48Å; P775-A805 WeakPolarHBondContact CG-O 3.33Å; P775-H807 VanDerWaalsContact C-CB 3.43Å; P775-H807 HydrophobicContact CB-CB 4.03Å; P775-H807 WeakPolarHBondContact O-CB 3.21Å
776	C	82.6	Confident	89.5	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.034	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-8.4	173.5	66	0	0	0	0	115.7	L774 H778 C799 W801	L774-C776 PolarHBondContact O-N 3.03Å; C776-H778 PolarHBondContact SG-ND1 3.37Å; C776-H778 VanDerWaalsContact SG-ND1 3.39Å; C776-C799 VanDerWaalsContact CB-SG 3.57Å; C776-C799 PolarHBondContact SG-SG 2.83Å; C776-W801 HydrophobicContact CB-CB 3.81Å; C776-W801 HydrophobicContact CB-CG 4.09Å
777	G	86.5	Confident	90	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.01	19%	0.194	C	C	.	.	S	Bend	trans	87.3	-0.4	179.6	0	0	0	0	0	114.6	V752 V753 L774 P775	V752-G777 CarbonylContact C-O 3.58Å; V752-G777 WeakPolarHBondContact CA-O 3.43Å; V752-G777 WeakPolarHBondContact CG1-O 3.3Å; V753-G777 PolarHBondContact N-O 3.39Å; L774-G777 PolarHBondContact O-N 3.22Å; P775-G777 PolarHBondContact O-N 2.97Å
778	H	92	Very high	90.5	Very high	44 Å²	44	41.1 Å²	41.1	20%	0.204	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-79.2	133.2	174.8	-66.4	106.6	0	0	0	111.4	A773 L774 C776 F780 V798 C799	A773-H778 VanDerWaalsContact CA-O 3.25Å; A773-H778 WeakPolarHBondContact CA-O 3.29Å; L774-H778 PolarHBondContact N-O 3.02Å; L774-H778 VanDerWaalsContact N-O 3.13Å; C776-H778 PolarHBondContact SG-ND1 3.37Å; C776-H778 VanDerWaalsContact SG-ND1 3.39Å; H778-F780 HydrophobicContact CB-CE2 3.95Å; H778-F780 HydrophobicContact CB-CZ 3.91Å; H778-F780 WeakPolarHBondContact O-CE2 3.4Å; H778-V798 HydrophobicContact CB-CB 4.3Å; H778-V798 HydrophobicContact CB-CG2 4.18Å; H778-V798 WeakPolarHBondContact NE2-CG1 3.26Å; H778-C799 PolarHBondContact ND1-SG 3.46Å; H778-C799 VanDerWaalsContact ND1-SG 3.45Å
779	G	90.8	Very high	91	Very high	4 Å²	4	38.9 Å²	38.9	4%	0.041	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	151	-178.8	0	0	0	0	0	115.2	S772	S772-G779 CarbonylContact O-C 3.58Å; S772-G779 WeakPolarHBondContact O-CA 3.26Å
780	F	94.8	Very high	91	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	167.3	-175.9	-50.2	-88.1	0	0	0	110.1	V759 V760 L771 S772 L774 H778 E782 I785 P797 V798	V759-F780 HydrophobicContact CG2-CD1 4.03Å; V759-F780 HydrophobicContact CG2-CE1 3.53Å; V760-F780 HydrophobicContact CG2-CD1 3.86Å; V760-F780 HydrophobicContact CG2-CE1 4.23Å; L771-F780 CarbonylContact C-O 3.6Å; L771-F780 WeakPolarHBondContact CA-O 3.37Å; S772-F780 PolarHBondContact N-O 3.4Å; S772-F780 PolarHBondContact O-N 3.28Å; L774-F780 HydrophobicContact CD1-CE2 4.18Å; L774-F780 HydrophobicContact CG-CE2 4.17Å; H778-F780 HydrophobicContact CB-CE2 3.95Å; H778-F780 HydrophobicContact CB-CZ 3.91Å; H778-F780 WeakPolarHBondContact O-CE2 3.4Å; F780-E782 PolarHBondContact O-N 3.32Å; F780-I785 HydrophobicContact CB-CB 3.72Å; F780-I785 HydrophobicContact CB-CG2 4.05Å; F780-I785 HydrophobicContact CD1-CD1 4.38Å; F780-I785 HydrophobicContact CD2-CB 3.93Å; F780-I785 HydrophobicContact CD2-CD1 3.86Å; F780-I785 HydrophobicContact CD2-CG1 3.78Å; F780-I785 HydrophobicContact CD2-CG2 4.45Å; F780-I785 HydrophobicContact CE1-CD1 4.41Å; F780-I785 HydrophobicContact CE2-CD1 3.93Å; F780-I785 HydrophobicContact CE2-CG1 4.24Å; F780-I785 HydrophobicContact CG-CB 3.86Å; F780-I785 HydrophobicContact CG-CD1 4.12Å; F780-I785 HydrophobicContact CG-CG1 4.16Å; F780-I785 HydrophobicContact CZ-CD1 4.22Å; F780-P797 HydrophobicContact CE1-CB 4.16Å; F780-P797 HydrophobicContact CE1-CG 3.85Å; F780-P797 HydrophobicContact CZ-CG 4.1Å; F780-V798 HydrophobicContact CE1-CG2 3.94Å; F780-V798 HydrophobicContact CZ-CG2 3.88Å
781	H	94.5	Very high	90.6	Very high	18 Å²	18	41.9 Å²	41.9	8%	0.083	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	135.8	159.1	-63.3	120.8	0	0	0	108.6	C758 C761 F765 Y783 C784 I785	C758-H781 VanDerWaalsContact CB-ND1 3.27Å; C758-H781 WeakPolarHBondContact CB-ND1 3.5Å; C761-H781 PolarHBondContact SG-ND1 3.1Å; F765-H781 AromaticContact CD1-CD2 3.68Å; F765-H781 AromaticContact CD1-CE1 3.99Å; F765-H781 AromaticContact CD1-NE2 3.44Å; F765-H781 WeakPolarHBondContact CD1-NE2 3.46Å; H781-Y783 VanDerWaalsContact C-N 3.27Å; H781-Y783 PolarHBondContact O-N 3.28Å; H781-C784 HydrophobicContact CB-CB 4Å; H781-C784 PolarHBondContact O-N 3.32Å; H781-I785 PolarHBondContact O-N 2.04Å; H781-I785 VanDerWaalsContact O-N 3.09Å
782	E	94.3	Very high	90	Very high	26 Å²	26	43.8 Å²	43.8	12%	0.121	21%	0.213	C	C	.	.	H	α-helix	trans	-54.5	-46.5	-178.7	178.2	177.8	167.7	0	0	111.7	M589 T591 R770 F780 C784 I785 R786	M589-E782 HydrophobicContact CE-CG 4.35Å; T591-E782 HydrophobicContact CG2-CG 4.04Å; R770-E782 HydrophobicContact CB-CB 4.28Å; R770-E782 WeakPolarHBondContact CB-OE2 3.37Å; R770-E782 IonicContact CZ-OE1 2.66Å; R770-E782 IonicContact CZ-OE2 3.41Å; R770-E782 IonicContact NE-OE1 2.85Å; R770-E782 IonicContact NE-OE2 3.91Å; R770-E782 PolarHBondContact NE-OE2 2.9Å; R770-E782 IonicContact NH2-OE1 3.91Å; R770-E782 PolarHBondContact NH2-OE1 3.21Å; R770-E782 VanDerWaalsContact NH2-OE1 3.12Å; R770-E782 IonicContact NH2-OE2 3.67Å; R770-E782 PolarHBondContact NH2-OE2 3.16Å; R770-E782 PolarHBondContact O-N 3.33Å; F780-E782 PolarHBondContact O-N 3.32Å; E782-C784 VanDerWaalsContact C-N 3.34Å; E782-C784 PolarHBondContact O-N 2.91Å; E782-I785 WeakPolarHBondContact O-CG2 3.29Å; E782-R786 WeakPolarHBondContact O-CB 3.31Å; E782-R786 PolarHBondContact O-N 3.1Å
783	Y	93.1	Very high	89.6	Confident	165 Å²	165	45.2 Å²	45.2	65%	0.647	23%	0.225	S	C	*	.	H	α-helix	trans	-59.1	-43.4	177.6	179.2	-98.9	0	0	0	112.5	H781 R786 K787	H781-Y783 VanDerWaalsContact C-N 3.27Å; H781-Y783 PolarHBondContact O-N 3.28Å; Y783-R786 PolarHBondContact O-N 3.28Å; Y783-K787 HydrophobicContact CE1-CD 4.25Å; Y783-K787 WeakPolarHBondContact O-CB 3.31Å; Y783-K787 PolarHBondContact O-N 3.18Å
784	C	95.9	Very high	89.4	Confident	17 Å²	17	50.5 Å²	50.5	12%	0.115	25%	0.248	C	C	.	.	H	α-helix	trans	-65.7	-47.5	-177.3	-67.3	0	0	0	0	112.3	V760 C761 H781 E782 R786 W788	V760-C784 HydrophobicContact CB-CB 3.9Å; V760-C784 HydrophobicContact CG1-CB 3.88Å; C761-C784 VanDerWaalsContact SG-SG 3.61Å; H781-C784 HydrophobicContact CB-CB 4Å; H781-C784 PolarHBondContact O-N 3.32Å; E782-C784 VanDerWaalsContact C-N 3.34Å; E782-C784 PolarHBondContact O-N 2.91Å; C784-R786 VanDerWaalsContact C-N 3.34Å; C784-W788 WeakPolarHBondContact O-CB 3.34Å; C784-W788 PolarHBondContact O-N 3.47Å
785	I	94	Very high	89.2	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-72.3	-32.4	-179.6	-169.1	61.1	0	0	0	111.6	M589 L774 F780 H781 E782 W788 L789 P797	M589-I785 HydrophobicContact CE-CG2 3.5Å; L774-I785 HydrophobicContact CD1-CD1 4.03Å; L774-I785 HydrophobicContact CD1-CG1 4.28Å; L774-I785 HydrophobicContact CD2-CG1 4.22Å; L774-I785 HydrophobicContact CG-CD1 4.48Å; L774-I785 HydrophobicContact CG-CG1 4.22Å; F780-I785 HydrophobicContact CB-CB 3.72Å; F780-I785 HydrophobicContact CB-CG2 4.05Å; F780-I785 HydrophobicContact CD1-CD1 4.38Å; F780-I785 HydrophobicContact CD2-CB 3.93Å; F780-I785 HydrophobicContact CD2-CD1 3.86Å; F780-I785 HydrophobicContact CD2-CG1 3.78Å; F780-I785 HydrophobicContact CD2-CG2 4.45Å; F780-I785 HydrophobicContact CE1-CD1 4.41Å; F780-I785 HydrophobicContact CE2-CD1 3.93Å; F780-I785 HydrophobicContact CE2-CG1 4.24Å; F780-I785 HydrophobicContact CG-CB 3.86Å; F780-I785 HydrophobicContact CG-CD1 4.12Å; F780-I785 HydrophobicContact CG-CG1 4.16Å; F780-I785 HydrophobicContact CZ-CD1 4.22Å; H781-I785 PolarHBondContact O-N 2.04Å; H781-I785 VanDerWaalsContact O-N 3.09Å; E782-I785 WeakPolarHBondContact O-CG2 3.29Å; I785-W788 HydrophobicContact CD1-CB 4.31Å; I785-W788 HydrophobicContact CD1-CG 4.37Å; I785-W788 WeakPolarHBondContact O-CB 3.3Å; I785-W788 PolarHBondContact O-N 3.29Å; I785-L789 HydrophobicContact CG1-CD1 4.3Å; I785-L789 HydrophobicContact CG1-CG 4.47Å; I785-L789 VanDerWaalsContact O-CG 3.26Å; I785-L789 WeakPolarHBondContact O-CG 3.27Å; I785-L789 PolarHBondContact O-N 2.84Å; I785-P797 HydrophobicContact CD1-CG 3.85Å
786	R	92.1	Very high	89.5	Confident	134 Å²	134	55.2 Å²	55.2	51%	0.506	27%	0.27	S	S	.	.	H	α-helix	trans	-61.8	-51.4	172.9	-173.7	172	-176.3	148.1	-0.8	111.3	M589 E782 Y783 C784 W788 L789 D790	M589-R786 HydrophobicContact CE-CB 4.37Å; E782-R786 WeakPolarHBondContact O-CB 3.31Å; E782-R786 PolarHBondContact O-N 3.1Å; Y783-R786 PolarHBondContact O-N 3.28Å; C784-R786 VanDerWaalsContact C-N 3.34Å; R786-W788 PolarHBondContact O-N 3.26Å; R786-L789 PolarHBondContact O-N 3.34Å; R786-L789 VanDerWaalsContact O-N 3.11Å; R786-D790 WeakPolarHBondContact O-CB 3.33Å; R786-D790 PolarHBondContact O-N 3.13Å
787	K	91.8	Very high	89.9	Confident	127 Å²	127	56.9 Å²	56.9	55%	0.552	28%	0.281	S	S	*	.	H	α-helix	trans	-57.6	-38.5	176.4	-172	175.6	-177.3	175.7	0	111.8	Y783 D790 T791	Y783-K787 HydrophobicContact CE1-CD 4.25Å; Y783-K787 WeakPolarHBondContact O-CB 3.31Å; Y783-K787 PolarHBondContact O-N 3.18Å; K787-D790 PolarHBondContact O-N 2.88Å; K787-T791 WeakPolarHBondContact O-CG2 3.48Å; K787-T791 PolarHBondContact O-N 3.31Å
788	W	93.3	Very high	89.9	Confident	97 Å²	97	59.3 Å²	59.3	37%	0.367	30%	0.295	S	S	.	.	H	α-helix	trans	-60.7	-51.8	174.4	177	-90.3	0	0	0	112	C784 I785 R786 D790 T791 A793 E795 P797	C784-W788 WeakPolarHBondContact O-CB 3.34Å; C784-W788 PolarHBondContact O-N 3.47Å; I785-W788 HydrophobicContact CD1-CB 4.31Å; I785-W788 HydrophobicContact CD1-CG 4.37Å; I785-W788 WeakPolarHBondContact O-CB 3.3Å; I785-W788 PolarHBondContact O-N 3.29Å; R786-W788 PolarHBondContact O-N 3.26Å; W788-D790 VanDerWaalsContact C-N 3.28Å; W788-D790 PolarHBondContact O-N 2.93Å; W788-T791 WeakPolarHBondContact O-CB 3.39Å; W788-T791 PolarHBondContact O-N 3.45Å; W788-T791 VanDerWaalsContact O-N 3.15Å; W788-T791 PolarHBondContact O-OG1 3.49Å; W788-A793 HydrophobicContact CZ2-CB 4.18Å; W788-E795 PolarHBondContact NE1-O 2.8Å; W788-P797 HydrophobicContact CD2-CG 3.89Å; W788-P797 HydrophobicContact CG-CG 4.01Å; W788-P797 HydrophobicContact CZ2-CB 4.31Å; W788-P797 HydrophobicContact CZ2-CG 4.23Å
789	L	89.5	Confident	89.5	Confident	13 Å²	13	58.3 Å²	58.3	7%	0.068	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-33.2	180	-64.6	169.9	0	0	0	112.1	A587 M589 L774 I785 R786 T791 G792 A793 A803	A587-L789 HydrophobicContact CB-CD1 3.8Å; M589-L789 HydrophobicContact CG-CD1 4.19Å; M589-L789 HydrophobicContact SD-CD1 3.58Å; M589-L789 VanDerWaalsContact SD-CD1 3.58Å; L774-L789 HydrophobicContact CD2-CD1 4.36Å; I785-L789 HydrophobicContact CG1-CD1 4.3Å; I785-L789 HydrophobicContact CG1-CG 4.47Å; I785-L789 VanDerWaalsContact O-CG 3.26Å; I785-L789 WeakPolarHBondContact O-CG 3.27Å; I785-L789 PolarHBondContact O-N 2.84Å; R786-L789 PolarHBondContact O-N 3.34Å; R786-L789 VanDerWaalsContact O-N 3.11Å; L789-T791 PolarHBondContact O-N 3.39Å; L789-G792 PolarHBondContact O-N 3.26Å; L789-G792 VanDerWaalsContact O-N 3.11Å; L789-A793 WeakPolarHBondContact CD2-O 3.27Å; L789-A803 HydrophobicContact CD1-CB 4.46Å; L789-A803 HydrophobicContact CD2-CB 3.59Å
790	D	87.4	Confident	89.3	Confident	123 Å²	123	65.3 Å²	65.3	66%	0.658	32%	0.318	S	S	*	.	H	α-helix	trans	-66.3	-19	177.3	-69.7	-24.4	0	0	0	113	R786 K787 W788 G792	R786-D790 WeakPolarHBondContact O-CB 3.33Å; R786-D790 PolarHBondContact O-N 3.13Å; K787-D790 PolarHBondContact O-N 2.88Å; W788-D790 VanDerWaalsContact C-N 3.28Å; W788-D790 PolarHBondContact O-N 2.93Å; D790-G792 PolarHBondContact O-N 3.26Å
791	T	82.8	Confident	88.6	Confident	105 Å²	105	67.4 Å²	67.4	64%	0.644	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-4.2	173.1	68.1	0	0	0	0	114.1	K787 W788 L789	K787-T791 WeakPolarHBondContact O-CG2 3.48Å; K787-T791 PolarHBondContact O-N 3.31Å; W788-T791 WeakPolarHBondContact O-CB 3.39Å; W788-T791 PolarHBondContact O-N 3.45Å; W788-T791 VanDerWaalsContact O-N 3.15Å; W788-T791 PolarHBondContact O-OG1 3.49Å; L789-T791 PolarHBondContact O-N 3.39Å
792	G	80.2	Confident	87.8	Confident	40 Å²	40	67.2 Å²	67.2	41%	0.412	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	2.3	-172.4	0	0	0	0	0	113.9	L789 D790 F794	L789-G792 PolarHBondContact O-N 3.26Å; L789-G792 VanDerWaalsContact O-N 3.11Å; D790-G792 PolarHBondContact O-N 3.26Å; G792-F794 VanDerWaalsContact O-CD2 3.24Å; G792-F794 WeakPolarHBondContact O-CD2 3.47Å; G792-F794 WeakPolarHBondContact O-CE2 3.44Å; G792-F794 PolarHBondContact O-N 2.84Å
793	A	83	Confident	87.2	Confident	31 Å²	31	66 Å²	66	26%	0.256	32%	0.321	S	S	.	.			trans	-81	87.2	170.1	0	0	0	0	0	110.2	W788 L789 E795	W788-A793 HydrophobicContact CZ2-CB 4.18Å; L789-A793 WeakPolarHBondContact CD2-O 3.27Å; A793-E795 PolarHBondContact O-N 2.65Å; A793-E795 VanDerWaalsContact O-N 3.07Å
794	F	85.1	Confident	86.5	Confident	110 Å²	110	61 Å²	61	48%	0.482	30%	0.301	S	S	.	.			trans	-77.8	17.3	-177.2	-55.4	-68.6	0	0	0	114.9	G792 A803 Y804	G792-F794 VanDerWaalsContact O-CD2 3.24Å; G792-F794 WeakPolarHBondContact O-CD2 3.47Å; G792-F794 WeakPolarHBondContact O-CE2 3.44Å; G792-F794 PolarHBondContact O-N 2.84Å; F794-A803 WeakPolarHBondContact O-CB 3.36Å; F794-A803 PolarHBondContact O-N 2.57Å; F794-Y804 HydrophobicContact CB-CD1 4.22Å; F794-Y804 HydrophobicContact CB-CE1 4.13Å
795	E	87.8	Confident	85.2	Confident	99 Å²	99	61 Å²	61	46%	0.463	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-118.2	148.2	-174.7	-66.7	177.4	-173.2	0	0	110.8	W788 A793 R800	W788-E795 PolarHBondContact NE1-O 2.8Å; A793-E795 PolarHBondContact O-N 2.65Å; A793-E795 VanDerWaalsContact O-N 3.07Å; E795-R800 HydrophobicContact CB-CB 4.49Å
796	C	88.2	Confident	83.9	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.007	30%	0.304	C	S	.	.			trans	-60.2	128.7	175.1	178	0	0	0	0	111.4	L774 V798 R800 W801	L774-C796 HydrophobicContact CD1-CB 3.62Å; C796-V798 PolarHBondContact O-N 3.25Å; C796-V798 VanDerWaalsContact O-N 3.1Å; C796-V798 PolarHBondContact SG-N 2.92Å; C796-R800 WeakPolarHBondContact O-CA 3.26Å; C796-R800 PolarHBondContact O-N 3.45Å; C796-W801 HydrophobicContact CB-CB 4.47Å; C796-W801 WeakPolarHBondContact CB-O 3.34Å; C796-W801 PolarHBondContact N-O 3.28Å
797	P	90.8	Very high	82.9	Confident	40 Å²	40	55.9 Å²	55.9	26%	0.26	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.7	177	-23.9	29.4	0	0	0	114.6	V759 V760 F780 I785 W788	V759-P797 HydrophobicContact CG2-CB 4.31Å; V760-P797 HydrophobicContact CG2-CB 4.37Å; V760-P797 HydrophobicContact CG2-CG 3.89Å; F780-P797 HydrophobicContact CE1-CB 4.16Å; F780-P797 HydrophobicContact CE1-CG 3.85Å; F780-P797 HydrophobicContact CZ-CG 4.1Å; I785-P797 HydrophobicContact CD1-CG 3.85Å; W788-P797 HydrophobicContact CD2-CG 3.89Å; W788-P797 HydrophobicContact CG-CG 4.01Å; W788-P797 HydrophobicContact CZ2-CB 4.31Å; W788-P797 HydrophobicContact CZ2-CG 4.23Å
798	V	86.7	Confident	81.8	Confident	51 Å²	51	50.3 Å²	50.3	31%	0.309	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-48.8	-174	-177.5	0	0	0	0	111.9	V759 H778 F780 C796	V759-V798 HydrophobicContact CG1-CG2 4.43Å; V759-V798 HydrophobicContact CG2-CG2 3.69Å; H778-V798 HydrophobicContact CB-CB 4.3Å; H778-V798 HydrophobicContact CB-CG2 4.18Å; H778-V798 WeakPolarHBondContact NE2-CG1 3.26Å; F780-V798 HydrophobicContact CE1-CG2 3.94Å; F780-V798 HydrophobicContact CZ-CG2 3.88Å; C796-V798 PolarHBondContact O-N 3.25Å; C796-V798 VanDerWaalsContact O-N 3.1Å; C796-V798 PolarHBondContact SG-N 2.92Å
799	C	82.7	Confident	80.6	Confident	23 Å²	23	49 Å²	49	16%	0.155	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-0.7	-170.6	67	0	0	0	0	114.4	C776 H778 W801	C776-C799 VanDerWaalsContact CB-SG 3.57Å; C776-C799 PolarHBondContact SG-SG 2.83Å; H778-C799 PolarHBondContact ND1-SG 3.46Å; H778-C799 VanDerWaalsContact ND1-SG 3.45Å; C799-W801 PolarHBondContact O-N 3.14Å; C799-W801 VanDerWaalsContact O-N 3.09Å; C799-W801 VanDerWaalsContact SG-CB 3.55Å
800	R	86.8	Confident	79.7	Confident	152 Å²	152	48.7 Å²	48.7	57%	0.574	25%	0.254	S	S	*	.			trans	58.3	14.5	-176	-55.8	-175.2	-173.7	177.5	2.3	115.4	E795 C796	E795-R800 HydrophobicContact CB-CB 4.49Å; C796-R800 WeakPolarHBondContact O-CA 3.26Å; C796-R800 PolarHBondContact O-N 3.45Å
801	W	80.4	Confident	79	Confident	44 Å²	44	43 Å²	43	17%	0.167	22%	0.223	C	C	.	.			trans	-62.5	133.6	173.5	-164.3	-87.1	0	0	0	110	P560 C776 C796 C799 A803 A805 P806 H807	P560-W801 HydrophobicContact CB-CZ3 4.25Å; P560-W801 HydrophobicContact CG-CD2 4.35Å; P560-W801 HydrophobicContact CG-CE3 3.29Å; P560-W801 HydrophobicContact CG-CH2 4.05Å; P560-W801 HydrophobicContact CG-CZ3 3.14Å; C776-W801 HydrophobicContact CB-CB 3.81Å; C776-W801 HydrophobicContact CB-CG 4.09Å; C796-W801 HydrophobicContact CB-CB 4.47Å; C796-W801 WeakPolarHBondContact CB-O 3.34Å; C796-W801 PolarHBondContact N-O 3.28Å; C799-W801 PolarHBondContact O-N 3.14Å; C799-W801 VanDerWaalsContact O-N 3.09Å; C799-W801 VanDerWaalsContact SG-CB 3.55Å; W801-A803 PolarHBondContact O-N 3.1Å; W801-A805 PolarHBondContact NE1-O 2.96Å; W801-P806 WeakPolarHBondContact CZ2-O 3.42Å; W801-P806 PolarHBondContact NE1-O 3.2Å; W801-H807 AromaticContact CD2-CD2 3.44Å; W801-H807 VanDerWaalsContact CD2-CD2 3.44Å; W801-H807 AromaticContact CE2-CD2 3.53Å; W801-H807 AromaticContact CE3-CD2 3.52Å; W801-H807 AromaticContact CE3-NE2 3.84Å; W801-H807 AromaticContact CG-CD2 4Å; W801-H807 AromaticContact CH2-CD2 3.89Å; W801-H807 HydrophobicContact CZ2-CB 4.49Å; W801-H807 AromaticContact CZ2-CD2 3.8Å; W801-H807 AromaticContact CZ3-CD2 3.7Å; W801-H807 AromaticContact CZ3-NE2 3.85Å
802	P	78.7	Confident	78.5	Confident	14 Å²	14	38.2 Å²	38.2	9%	0.091	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-59.8	123.5	178.6	15.4	-23.6	0	0	0	110.6	Y804 A805	P802-Y804 HydrophobicContact CB-CD1 4.1Å; P802-Y804 HydrophobicContact CB-CD2 4.4Å; P802-Y804 HydrophobicContact CB-CE1 3.59Å; P802-Y804 HydrophobicContact CB-CE2 3.93Å; P802-Y804 HydrophobicContact CB-CG 4.48Å; P802-Y804 VanDerWaalsContact CB-CZ 3.5Å; P802-Y804 PolarHBondContact O-N 3.4Å; P802-Y804 VanDerWaalsContact O-N 3.14Å; P802-A805 HydrophobicContact CB-CB 4.12Å; P802-A805 HydrophobicContact CG-CB 3.72Å; P802-A805 PolarHBondContact O-N 3.48Å
803	A	81.5	Confident	78.1	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.3	-174.4	0	0	0	0	0	113.3	A587 H588 L774 L789 F794 W801	A587-A803 HydrophobicContact CB-CB 3.91Å; H588-A803 PolarHBondContact N-O 2.71Å; L774-A803 HydrophobicContact CD1-CB 4.15Å; L774-A803 HydrophobicContact CD2-CB 3.88Å; L789-A803 HydrophobicContact CD1-CB 4.46Å; L789-A803 HydrophobicContact CD2-CB 3.59Å; F794-A803 WeakPolarHBondContact O-CB 3.36Å; F794-A803 PolarHBondContact O-N 2.57Å; W801-A803 PolarHBondContact O-N 3.1Å
804	Y	77.2	Confident	77.5	Confident	61 Å²	61	38.5 Å²	38.5	24%	0.239	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-12.6	176.4	56.5	-95	0	0	0	113.6	F564 H588 F794 P802	F564-Y804 WeakPolarHBondContact CD2-OH 3.21Å; H588-Y804 PolarHBondContact CD2-O 3.49Å; H588-Y804 VanDerWaalsContact CD2-O 3.31Å; F794-Y804 HydrophobicContact CB-CD1 4.22Å; F794-Y804 HydrophobicContact CB-CE1 4.13Å; P802-Y804 HydrophobicContact CB-CD1 4.1Å; P802-Y804 HydrophobicContact CB-CD2 4.4Å; P802-Y804 HydrophobicContact CB-CE1 3.59Å; P802-Y804 HydrophobicContact CB-CE2 3.93Å; P802-Y804 HydrophobicContact CB-CG 4.48Å; P802-Y804 VanDerWaalsContact CB-CZ 3.5Å; P802-Y804 PolarHBondContact O-N 3.4Å; P802-Y804 VanDerWaalsContact O-N 3.14Å
805	A	68.6	Low	77.1	Confident	16 Å²	16	33.4 Å²	33.4	13%	0.132	16%	0.158	C	C	.	.	S	Bend	trans	-94.6	140.9	-177.1	0	0	0	0	0	111.1	P775 W801 P802	P775-A805 WeakPolarHBondContact CB-O 3.48Å; P775-A805 WeakPolarHBondContact CG-O 3.33Å; W801-A805 PolarHBondContact NE1-O 2.96Å; P802-A805 HydrophobicContact CB-CB 4.12Å; P802-A805 HydrophobicContact CG-CB 3.72Å; P802-A805 PolarHBondContact O-N 3.48Å
806	P	68	Low	76.7	Confident	8 Å²	8	33.2 Å²	33.2	5%	0.052	16%	0.157	C	C	.	.			trans	-61.3	160.6	171.8	31.5	-38.6	0	0	0	110.8	N454 I456 P458 W801	N454-P806 WeakPolarHBondContact O-CG 3.27Å; I456-P806 WeakPolarHBondContact O-CG 3.33Å; P458-P806 HydrophobicContact CG-CB 4.21Å; W801-P806 WeakPolarHBondContact CZ2-O 3.42Å; W801-P806 PolarHBondContact NE1-O 3.2Å
807	H	70.4	Confident	76.2	Confident	19 Å²	19	37.8 Å²	37.8	9%	0.088	18%	0.178	C	C	.	.			trans	-127.9	127.1	174.7	-169.2	-79.3	0	0	0	110.4	P775 W801 R809 Q810 Q811	P775-H807 VanDerWaalsContact C-CB 3.43Å; P775-H807 HydrophobicContact CB-CB 4.03Å; P775-H807 WeakPolarHBondContact O-CB 3.21Å; W801-H807 AromaticContact CD2-CD2 3.44Å; W801-H807 VanDerWaalsContact CD2-CD2 3.44Å; W801-H807 AromaticContact CE2-CD2 3.53Å; W801-H807 AromaticContact CE3-CD2 3.52Å; W801-H807 AromaticContact CE3-NE2 3.84Å; W801-H807 AromaticContact CG-CD2 4Å; W801-H807 AromaticContact CH2-CD2 3.89Å; W801-H807 HydrophobicContact CZ2-CB 4.49Å; W801-H807 AromaticContact CZ2-CD2 3.8Å; W801-H807 AromaticContact CZ3-CD2 3.7Å; W801-H807 AromaticContact CZ3-NE2 3.85Å; H807-R809 VanDerWaalsContact C-N 3.25Å; H807-R809 VanDerWaalsContact CE1-CB 3.42Å; H807-R809 WeakPolarHBondContact CE1-CB 3.3Å; H807-R809 WeakPolarHBondContact ND1-CB 3.35Å; H807-R809 PolarHBondContact ND1-N 3.25Å; H807-R809 VanDerWaalsContact ND1-N 3.15Å; H807-R809 PolarHBondContact O-N 2.82Å; H807-R809 VanDerWaalsContact O-N 3.14Å; H807-Q810 WeakPolarHBondContact O-CB 3.49Å; H807-Q810 PolarHBondContact O-N 3.12Å; H807-Q811 PolarHBondContact O-N 3.4Å
808	L	69	Low	75.5	Confident	9 Å²	9	38.9 Å²	38.9	5%	0.047	18%	0.181	C	C	.	.	H	α-helix	trans	-51.5	-38.6	-178.2	-87	139.3	0	0	0	114.8	R450 N454 L546 Q810 Q811 C812	R450-L808 HydrophobicContact CG-CD1 3.84Å; R450-L808 HydrophobicContact CG-CD2 3.72Å; R450-L808 HydrophobicContact CG-CG 4.37Å; N454-L808 VanDerWaalsContact ND2-CD1 3.29Å; N454-L808 WeakPolarHBondContact ND2-CD1 3.38Å; N454-L808 WeakPolarHBondContact OD1-CD1 3.4Å; N454-L808 VanDerWaalsContact OD1-CG 3.26Å; N454-L808 WeakPolarHBondContact OD1-CG 3.48Å; L546-L808 HydrophobicContact CB-CD2 4.42Å; L546-L808 HydrophobicContact CD2-CD2 3.51Å; L808-Q810 VanDerWaalsContact C-N 3.29Å; L808-Q810 PolarHBondContact O-N 3.16Å; L808-Q811 WeakPolarHBondContact O-CB 3.05Å; L808-Q811 PolarHBondContact O-N 3.24Å; L808-Q811 VanDerWaalsContact O-N 3.16Å; L808-C812 PolarHBondContact O-N 2.97Å; L808-C812 PolarHBondContact O-SG 3.2Å
809	R	68.6	Low	75.3	Confident	70 Å²	70	37.6 Å²	37.6	26%	0.264	17%	0.172	S	C	.	.	H	α-helix	trans	-55	-46	177	-175.3	-177.4	178.7	165.7	3.4	112	V753 H807 C812 Q813	V753-R809 VanDerWaalsContact CG2-NH1 3.25Å; H807-R809 VanDerWaalsContact C-N 3.25Å; H807-R809 VanDerWaalsContact CE1-CB 3.42Å; H807-R809 WeakPolarHBondContact CE1-CB 3.3Å; H807-R809 WeakPolarHBondContact ND1-CB 3.35Å; H807-R809 PolarHBondContact ND1-N 3.25Å; H807-R809 VanDerWaalsContact ND1-N 3.15Å; H807-R809 PolarHBondContact O-N 2.82Å; H807-R809 VanDerWaalsContact O-N 3.14Å; R809-C812 PolarHBondContact O-N 2.82Å; R809-Q813 WeakPolarHBondContact O-CG 3.44Å; R809-Q813 PolarHBondContact O-N 3.13Å; R809-Q813 VanDerWaalsContact O-N 3.12Å; R809-Q813 PolarHBondContact O-OE1 3.41Å
810	Q	70.2	Confident	75.2	Confident	7 Å²	7	39.5 Å²	39.5	3%	0.033	19%	0.186	C	C	.	.	H	α-helix	trans	-62.7	-45.9	178.2	-175.8	-179.1	18.2	0	0	110.4	Y590 W751 H807 L808 C812 Q813 M814	Y590-Q810 PolarHBondContact OH-NE2 3.04Å; W751-Q810 HydrophobicContact CD2-CG 4.07Å; W751-Q810 HydrophobicContact CE3-CB 4.35Å; W751-Q810 HydrophobicContact CE3-CG 3.96Å; W751-Q810 HydrophobicContact CG-CG 4.44Å; W751-Q810 HydrophobicContact CZ3-CG 4.39Å; H807-Q810 WeakPolarHBondContact O-CB 3.49Å; H807-Q810 PolarHBondContact O-N 3.12Å; L808-Q810 VanDerWaalsContact C-N 3.29Å; L808-Q810 PolarHBondContact O-N 3.16Å; Q810-C812 PolarHBondContact O-N 3.13Å; Q810-Q813 PolarHBondContact O-N 3.15Å; Q810-M814 HydrophobicContact CG-SD 3.95Å; Q810-M814 VanDerWaalsContact O-CG 3.26Å; Q810-M814 WeakPolarHBondContact O-CG 3.37Å; Q810-M814 PolarHBondContact O-N 3.29Å
811	Q	72.4	Confident	74.8	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.009	18%	0.178	C	C	.	.	H	α-helix	trans	-59.9	-45.1	178.2	-59.7	176.8	-15.4	0	0	111.9	L453 L461 H807 L808 Q813 M814 I815	L453-Q811 PolarHBondContact O-NE2 2.9Å; L461-Q811 HydrophobicContact CD1-CG 4.23Å; L461-Q811 HydrophobicContact CD2-CG 3.82Å; H807-Q811 PolarHBondContact O-N 3.4Å; L808-Q811 WeakPolarHBondContact O-CB 3.05Å; L808-Q811 PolarHBondContact O-N 3.24Å; L808-Q811 VanDerWaalsContact O-N 3.16Å; Q811-Q813 VanDerWaalsContact C-N 3.35Å; Q811-Q813 PolarHBondContact O-N 2.64Å; Q811-M814 PolarHBondContact O-N 3.28Å; Q811-I815 WeakPolarHBondContact O-CD1 3.43Å; Q811-I815 WeakPolarHBondContact O-CG1 3.06Å; Q811-I815 PolarHBondContact O-N 2.79Å
812	C	72.5	Confident	74.7	Confident	5 Å²	5	33.7 Å²	33.7	3%	0.034	18%	0.178	C	C	.	.	H	α-helix	trans	-57.5	-47.7	176.9	-66.4	0	0	0	0	111.4	Y543 L546 T550 L808 R809 Q810 I815 E816	Y543-C812 WeakPolarHBondContact CD2-O 3.4Å; Y543-C812 HydrophobicContact CE2-CB 4.45Å; L546-C812 VanDerWaalsContact C-SG 3.5Å; L546-C812 WeakPolarHBondContact CB-SG 3.3Å; L546-C812 PolarHBondContact O-SG 3.08Å; T550-C812 HydrophobicContact CG2-CB 4.49Å; L808-C812 PolarHBondContact O-N 2.97Å; L808-C812 PolarHBondContact O-SG 3.2Å; R809-C812 PolarHBondContact O-N 2.82Å; Q810-C812 PolarHBondContact O-N 3.13Å; C812-I815 PolarHBondContact O-N 3.49Å; C812-E816 WeakPolarHBondContact O-CB 3.25Å; C812-E816 PolarHBondContact O-N 2.96Å
813	Q	71.2	Confident	75.2	Confident	36 Å²	36	34.9 Å²	34.9	17%	0.168	18%	0.182	C	C	.	.	H	α-helix	trans	-70.8	-34.3	-176.8	-70.8	175.6	-60.1	0	0	112.4	S750 W751 R809 Q810 Q811 E816 Q817	S750-Q813 PolarHBondContact O-NE2 3.08Å; W751-Q813 VanDerWaalsContact CA-CD 3.48Å; W751-Q813 HydrophobicContact CB-CB 3.93Å; W751-Q813 HydrophobicContact CB-CG 4.43Å; W751-Q813 PolarHBondContact O-OE1 3.43Å; R809-Q813 WeakPolarHBondContact O-CG 3.44Å; R809-Q813 PolarHBondContact O-N 3.13Å; R809-Q813 VanDerWaalsContact O-N 3.12Å; R809-Q813 PolarHBondContact O-OE1 3.41Å; Q810-Q813 PolarHBondContact O-N 3.15Å; Q811-Q813 VanDerWaalsContact C-N 3.35Å; Q811-Q813 PolarHBondContact O-N 2.64Å; Q813-E816 WeakPolarHBondContact O-CB 3.38Å; Q813-E816 PolarHBondContact O-N 2.89Å; Q813-Q817 WeakPolarHBondContact O-CG 3.48Å; Q813-Q817 PolarHBondContact O-N 3.42Å
814	M	71.5	Confident	75.3	Confident	42 Å²	42	39.4 Å²	39.4	21%	0.207	21%	0.206	C	C	.	.	H	α-helix	trans	-65	-40.9	172.5	-69.5	175.4	74.8	0	0	111.6	W462 Q810 Q811 E816 Q817 L818	W462-M814 HydrophobicContact CH2-CE 3.93Å; W462-M814 HydrophobicContact CZ2-CE 3.22Å; Q810-M814 HydrophobicContact CG-SD 3.95Å; Q810-M814 VanDerWaalsContact O-CG 3.26Å; Q810-M814 WeakPolarHBondContact O-CG 3.37Å; Q810-M814 PolarHBondContact O-N 3.29Å; Q811-M814 PolarHBondContact O-N 3.28Å; M814-E816 VanDerWaalsContact C-N 3.33Å; M814-Q817 PolarHBondContact O-N 3.1Å; M814-L818 WeakPolarHBondContact O-CG 3.33Å; M814-L818 PolarHBondContact O-N 3.15Å
815	I	76.1	Confident	75.6	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-37.9	174.8	-67.6	162.7	0	0	0	110.8	L465 L539 L542 Y543 L546 Q811 C812 L818 I819	L465-I815 HydrophobicContact CD2-CD1 4.05Å; L539-I815 HydrophobicContact CD2-CG2 4.4Å; L542-I815 HydrophobicContact CD2-CD1 3.8Å; L542-I815 HydrophobicContact CD2-CG1 4.47Å; L542-I815 HydrophobicContact CG-CD1 4Å; Y543-I815 HydrophobicContact CD2-CG2 4.41Å; L546-I815 HydrophobicContact CD1-CD1 3.16Å; Q811-I815 WeakPolarHBondContact O-CD1 3.43Å; Q811-I815 WeakPolarHBondContact O-CG1 3.06Å; Q811-I815 PolarHBondContact O-N 2.79Å; C812-I815 PolarHBondContact O-N 3.49Å; I815-L818 WeakPolarHBondContact O-CB 3.46Å; I815-L818 PolarHBondContact O-N 3.44Å; I815-I819 HydrophobicContact CG2-CD1 4.05Å; I815-I819 HydrophobicContact CG2-CG1 4.4Å; I815-I819 VanDerWaalsContact O-CG1 3.28Å; I815-I819 WeakPolarHBondContact O-CG1 3.39Å; I815-I819 PolarHBondContact O-N 3.31Å
816	E	79.8	Confident	76.1	Confident	96 Å²	96	40.8 Å²	40.8	45%	0.449	22%	0.219	S	C	.	.	H	α-helix	trans	-61.4	-43.7	174.8	-162.8	173.3	168.1	0	0	112.2	Y543 C812 Q813 M814 L818 I819 S820	Y543-E816 HydrophobicContact CD2-CB 4.17Å; Y543-E816 HydrophobicContact CE2-CB 3.73Å; Y543-E816 HydrophobicContact CE2-CG 4Å; Y543-E816 PolarHBondContact OH-OE2 2.88Å; Y543-E816 VanDerWaalsContact OH-OE2 3.13Å; C812-E816 WeakPolarHBondContact O-CB 3.25Å; C812-E816 PolarHBondContact O-N 2.96Å; Q813-E816 WeakPolarHBondContact O-CB 3.38Å; Q813-E816 PolarHBondContact O-N 2.89Å; M814-E816 VanDerWaalsContact C-N 3.33Å; E816-L818 VanDerWaalsContact C-N 3.34Å; E816-L818 PolarHBondContact O-N 3.41Å; E816-I819 WeakPolarHBondContact O-CB 3.41Å; E816-I819 PolarHBondContact O-N 2.96Å; E816-S820 PolarHBondContact O-N 2.98Å
817	Q	77.2	Confident	76.9	Confident	97 Å²	97	43.1 Å²	43.1	45%	0.453	23%	0.231	S	C	.	.	H	α-helix	trans	-61.7	-41.2	173.3	-72.6	177.3	-15.3	0	0	111.8	S750 Q813 M814 S820 A821	S750-Q817 PolarHBondContact OG-NE2 3.3Å; Q813-Q817 WeakPolarHBondContact O-CG 3.48Å; Q813-Q817 PolarHBondContact O-N 3.42Å; M814-Q817 PolarHBondContact O-N 3.1Å; Q817-S820 PolarHBondContact O-N 3.46Å; Q817-A821 WeakPolarHBondContact O-CB 3.14Å; Q817-A821 PolarHBondContact O-N 3.45Å
818	L	76.5	Confident	77.4	Confident	63 Å²	63	50.5 Å²	50.5	33%	0.33	26%	0.259	S	S	.	.	H	α-helix	trans	-64.2	-41.6	174.4	-75	173.4	0	0	0	112.4	W462 L539 M814 I815 E816 S820 A821 V822	W462-L818 HydrophobicContact CH2-CD1 3.59Å; W462-L818 HydrophobicContact CH2-CG 4.46Å; W462-L818 HydrophobicContact CZ3-CD1 3.55Å; L539-L818 HydrophobicContact CD1-CB 4.24Å; M814-L818 WeakPolarHBondContact O-CG 3.33Å; M814-L818 PolarHBondContact O-N 3.15Å; I815-L818 WeakPolarHBondContact O-CB 3.46Å; I815-L818 PolarHBondContact O-N 3.44Å; E816-L818 VanDerWaalsContact C-N 3.34Å; E816-L818 PolarHBondContact O-N 3.41Å; L818-S820 VanDerWaalsContact C-N 3.31Å; L818-S820 PolarHBondContact O-N 3.5Å; L818-A821 PolarHBondContact O-N 3.07Å; L818-V822 WeakPolarHBondContact O-CB 3.37Å; L818-V822 VanDerWaalsContact O-CG2 3.25Å; L818-V822 WeakPolarHBondContact O-CG2 3.01Å; L818-V822 PolarHBondContact O-N 3.2Å
819	I	82.4	Confident	77.8	Confident	23 Å²	23	51.4 Å²	51.4	12%	0.118	27%	0.268	C	S	.	.	H	α-helix	trans	-57.7	-48	174.8	-72.4	167.2	0	0	0	109.8	L536 L539 R540 Y543 I815 E816 Q823	L536-I819 HydrophobicContact CD1-CB 4.48Å; L536-I819 HydrophobicContact CD1-CG2 3.82Å; L536-I819 WeakPolarHBondContact CD1-O 3.2Å; L539-I819 HydrophobicContact CB-CD1 4.23Å; L539-I819 HydrophobicContact CB-CG1 3.54Å; L539-I819 HydrophobicContact CD1-CG1 4.39Å; R540-I819 HydrophobicContact CG-CD1 4.05Å; R540-I819 HydrophobicContact CG-CG1 4.44Å; R540-I819 HydrophobicContact CG-CG2 4.3Å; Y543-I819 HydrophobicContact CD2-CD1 4.49Å; Y543-I819 HydrophobicContact CG-CD1 4.13Å; I815-I819 HydrophobicContact CG2-CD1 4.05Å; I815-I819 HydrophobicContact CG2-CG1 4.4Å; I815-I819 VanDerWaalsContact O-CG1 3.28Å; I815-I819 WeakPolarHBondContact O-CG1 3.39Å; I815-I819 PolarHBondContact O-N 3.31Å; E816-I819 WeakPolarHBondContact O-CB 3.41Å; E816-I819 PolarHBondContact O-N 2.96Å; I819-Q823 VanDerWaalsContact O-CB 3.23Å; I819-Q823 WeakPolarHBondContact O-CB 3.4Å; I819-Q823 PolarHBondContact O-N 3.1Å
820	S	79.8	Confident	78.2	Confident	63 Å²	63	52.2 Å²	52.2	44%	0.441	27%	0.273	S	S	.	.	H	α-helix	trans	-62.8	-46.6	178.6	-174.7	0	0	0	0	111.8	E816 Q817 L818 Q823 N824	E816-S820 PolarHBondContact O-N 2.98Å; Q817-S820 PolarHBondContact O-N 3.46Å; L818-S820 VanDerWaalsContact C-N 3.31Å; L818-S820 PolarHBondContact O-N 3.5Å; S820-Q823 PolarHBondContact O-N 2.98Å; S820-N824 WeakPolarHBondContact O-CB 3.2Å; S820-N824 PolarHBondContact O-N 3.24Å; S820-N824 PolarHBondContact O-ND2 3.42Å
821	A	78	Confident	78.5	Confident	49 Å²	49	56.6 Å²	56.6	41%	0.405	30%	0.297	S	S	.	.	H	α-helix	trans	-60.9	-47.6	178.1	0	0	0	0	0	112.2	Q817 L818 Q823 N824 T825	Q817-A821 WeakPolarHBondContact O-CB 3.14Å; Q817-A821 PolarHBondContact O-N 3.45Å; L818-A821 PolarHBondContact O-N 3.07Å; A821-Q823 PolarHBondContact O-N 3.31Å; A821-N824 PolarHBondContact O-N 3.01Å; A821-T825 PolarHBondContact O-N 3.44Å; A821-T825 PolarHBondContact O-OG1 2.93Å
822	V	79.8	Confident	78.5	Confident	26 Å²	26	58.7 Å²	58.7	16%	0.158	31%	0.312	C	S	.	.	H	α-helix	trans	-63.4	-42.8	178	171.7	0	0	0	0	111	L535 L536 L539 L818 T825 I826	L535-V822 HydrophobicContact CD2-CG1 4.26Å; L535-V822 HydrophobicContact CD2-CG2 3.9Å; L535-V822 HydrophobicContact CG-CG1 4.47Å; L535-V822 HydrophobicContact CG-CG2 4.49Å; L536-V822 HydrophobicContact CB-CG1 4.22Å; L536-V822 HydrophobicContact CD1-CB 4.5Å; L536-V822 HydrophobicContact CD1-CG1 4.32Å; L539-V822 HydrophobicContact CD1-CB 4.48Å; L539-V822 HydrophobicContact CD1-CG2 3.97Å; L818-V822 WeakPolarHBondContact O-CB 3.37Å; L818-V822 VanDerWaalsContact O-CG2 3.25Å; L818-V822 WeakPolarHBondContact O-CG2 3.01Å; L818-V822 PolarHBondContact O-N 3.2Å; V822-T825 PolarHBondContact O-N 2.79Å; V822-I826 HydrophobicContact CG1-CD1 3.9Å; V822-I826 HydrophobicContact CG1-CG1 4.5Å; V822-I826 VanDerWaalsContact O-CG1 3.27Å; V822-I826 WeakPolarHBondContact O-CG1 3.47Å; V822-I826 PolarHBondContact O-N 2.96Å
823	Q	87.8	Confident	78	Confident	39 Å²	39	61.1 Å²	61.1	18%	0.182	32%	0.324	C	S	.	.	H	α-helix	trans	-58.9	-47.9	175.7	-178.5	63.4	66.4	0	0	111.3	L536 I819 S820 A821 T825 I826 D827	L536-Q823 HydrophobicContact CD1-CB 4.18Å; I819-Q823 VanDerWaalsContact O-CB 3.23Å; I819-Q823 WeakPolarHBondContact O-CB 3.4Å; I819-Q823 PolarHBondContact O-N 3.1Å; S820-Q823 PolarHBondContact O-N 2.98Å; A821-Q823 PolarHBondContact O-N 3.31Å; Q823-T825 VanDerWaalsContact C-N 3.32Å; Q823-T825 PolarHBondContact O-N 3.22Å; Q823-I826 WeakPolarHBondContact O-CB 3.37Å; Q823-I826 PolarHBondContact O-N 3.24Å; Q823-D827 VanDerWaalsContact NE2-CG 3.3Å; Q823-D827 PolarHBondContact NE2-OD1 3.4Å; Q823-D827 PolarHBondContact NE2-OD2 3.42Å; Q823-D827 VanDerWaalsContact O-CG 3.24Å; Q823-D827 PolarHBondContact O-N 3.39Å
824	N	84.5	Confident	77.3	Confident	95 Å²	95	65.9 Å²	65.9	51%	0.508	35%	0.351	S	S	.	.	H	α-helix	trans	-61.6	-38.9	178.4	-68.6	-24.7	0	0	0	112.3	S820 A821 D827 Y828	S820-N824 WeakPolarHBondContact O-CB 3.2Å; S820-N824 PolarHBondContact O-N 3.24Å; S820-N824 PolarHBondContact O-ND2 3.42Å; A821-N824 PolarHBondContact O-N 3.01Å; N824-D827 PolarHBondContact O-N 2.83Å; N824-Y828 WeakPolarHBondContact O-CB 3.39Å; N824-Y828 PolarHBondContact O-N 2.98Å
825	T	82.4	Confident	76.4	Confident	97 Å²	97	72.7 Å²	72.7	60%	0.595	38%	0.38	S	S	*	.	H	α-helix	trans	-65.8	-41	176	-54	0	0	0	0	111.8	A821 V822 Q823 D827 Y828 A829	A821-T825 PolarHBondContact O-N 3.44Å; A821-T825 PolarHBondContact O-OG1 2.93Å; V822-T825 PolarHBondContact O-N 2.79Å; Q823-T825 VanDerWaalsContact C-N 3.32Å; Q823-T825 PolarHBondContact O-N 3.22Å; T825-D827 VanDerWaalsContact C-N 3.35Å; T825-Y828 PolarHBondContact O-N 3.3Å; T825-A829 WeakPolarHBondContact O-CB 3.32Å; T825-A829 PolarHBondContact O-N 2.9Å
826	I	80.8	Confident	74.6	Confident	8 Å²	8	81.4 Å²	81.4	4%	0.041	43%	0.426	C	S	.	.	H	α-helix	trans	-62.3	-44.9	174.8	-66.8	163.2	0	0	0	110.5	V529 G532 Y533 L536 V822 Q823 Y828 A829 K830	V529-I826 HydrophobicContact CG1-CG2 4.36Å; G532-I826 WeakPolarHBondContact O-CD1 3.42Å; Y533-I826 HydrophobicContact CD1-CD1 4.34Å; Y533-I826 HydrophobicContact CD2-CG2 4.29Å; Y533-I826 HydrophobicContact CE1-CD1 4.5Å; Y533-I826 HydrophobicContact CE1-CG2 4.14Å; Y533-I826 HydrophobicContact CE2-CG2 3.65Å; L536-I826 HydrophobicContact CB-CD1 4.3Å; L536-I826 HydrophobicContact CD2-CD1 4.26Å; V822-I826 HydrophobicContact CG1-CD1 3.9Å; V822-I826 HydrophobicContact CG1-CG1 4.5Å; V822-I826 VanDerWaalsContact O-CG1 3.27Å; V822-I826 WeakPolarHBondContact O-CG1 3.47Å; V822-I826 PolarHBondContact O-N 2.96Å; Q823-I826 WeakPolarHBondContact O-CB 3.37Å; Q823-I826 PolarHBondContact O-N 3.24Å; I826-Y828 VanDerWaalsContact C-N 3.35Å; I826-A829 PolarHBondContact O-N 2.85Å; I826-K830 HydrophobicContact CG2-CD 4.45Å; I826-K830 WeakPolarHBondContact O-CG 3.38Å; I826-K830 PolarHBondContact O-N 2.98Å
827	D	83.6	Confident	74.3	Confident	58 Å²	58	80.7 Å²	80.7	31%	0.31	43%	0.425	S	S	.	.	H	α-helix	trans	-67.5	-37.2	-179.3	-64.8	-27.5	0	0	0	111.4	Q823 N824 T825 N831	Q823-D827 VanDerWaalsContact NE2-CG 3.3Å; Q823-D827 PolarHBondContact NE2-OD1 3.4Å; Q823-D827 PolarHBondContact NE2-OD2 3.42Å; Q823-D827 VanDerWaalsContact O-CG 3.24Å; Q823-D827 PolarHBondContact O-N 3.39Å; N824-D827 PolarHBondContact O-N 2.83Å; T825-D827 VanDerWaalsContact C-N 3.35Å; D827-N831 WeakPolarHBondContact O-CB 3.13Å; D827-N831 VanDerWaalsContact O-CG 3.23Å; D827-N831 PolarHBondContact O-N 3Å; D827-N831 PolarHBondContact O-ND2 3.06Å
828	Y	81.6	Confident	74.1	Confident	174 Å²	174	79.8 Å²	79.8	68%	0.682	42%	0.424	S	S	*	.	H	α-helix	trans	-63.2	-47.1	172	-176.5	-93.4	0	0	0	112	N824 T825 I826 K830 N831 S832	N824-Y828 WeakPolarHBondContact O-CB 3.39Å; N824-Y828 PolarHBondContact O-N 2.98Å; T825-Y828 PolarHBondContact O-N 3.3Å; I826-Y828 VanDerWaalsContact C-N 3.35Å; Y828-K830 VanDerWaalsContact C-N 3.33Å; Y828-K830 PolarHBondContact O-N 3.2Å; Y828-N831 PolarHBondContact O-N 3.29Å; Y828-S832 WeakPolarHBondContact O-CB 3.44Å; Y828-S832 PolarHBondContact O-N 3.31Å
829	A	76.6	Confident	74	Confident	28 Å²	28	80.8 Å²	80.8	23%	0.231	43%	0.429	C	S	.	.	H	α-helix	trans	-59.7	-43.4	177.6	0	0	0	0	0	111.7	V529 T825 I826 N831 S832 N833	V529-A829 HydrophobicContact CG2-CB 4.34Å; T825-A829 WeakPolarHBondContact O-CB 3.32Å; T825-A829 PolarHBondContact O-N 2.9Å; I826-A829 PolarHBondContact O-N 2.85Å; A829-N831 PolarHBondContact O-N 2.69Å; A829-S832 PolarHBondContact O-N 3.17Å; A829-N833 PolarHBondContact O-N 3.21Å; A829-N833 PolarHBondContact O-OD1 3.18Å
830	K	77	Confident	73.5	Confident	86 Å²	86	84.2 Å²	84.2	37%	0.374	45%	0.447	S	S	.	.	H	α-helix	trans	-60.3	-44.5	174	-77.7	-176.5	164.9	-165.2	0	113.2	V529 Y533 I826 Y828 S832 N833 N834	V529-K830 HydrophobicContact CG1-CG 4.44Å; Y533-K830 WeakPolarHBondContact OH-CE 3.35Å; Y533-K830 PolarHBondContact OH-NZ 3.07Å; I826-K830 HydrophobicContact CG2-CD 4.45Å; I826-K830 WeakPolarHBondContact O-CG 3.38Å; I826-K830 PolarHBondContact O-N 2.98Å; Y828-K830 VanDerWaalsContact C-N 3.33Å; Y828-K830 PolarHBondContact O-N 3.2Å; K830-S832 VanDerWaalsContact C-N 3.33Å; K830-N833 PolarHBondContact O-N 2.95Å; K830-N834 PolarHBondContact O-N 3.39Å
831	N	78.1	Confident	73.1	Confident	100 Å²	100	85.5 Å²	85.5	54%	0.535	45%	0.448	S	S	.	.	H	α-helix	trans	-71.4	-30.2	-179.5	-72.3	-26.7	0	0	0	112.3	D827 Y828 A829 N834 K835	D827-N831 WeakPolarHBondContact O-CB 3.13Å; D827-N831 VanDerWaalsContact O-CG 3.23Å; D827-N831 PolarHBondContact O-N 3Å; D827-N831 PolarHBondContact O-ND2 3.06Å; Y828-N831 PolarHBondContact O-N 3.29Å; A829-N831 PolarHBondContact O-N 2.69Å; N831-N834 PolarHBondContact O-N 3.49Å; N831-K835 PolarHBondContact O-N 3.12Å
832	S	71.3	Confident	72.8	Confident	46 Å²	46	87.9 Å²	87.9	32%	0.322	45%	0.451	S	S	.	.	H	α-helix	trans	-66.7	-41.9	172.3	-164.5	0	0	0	0	111.2	Y828 A829 K830 N834 K835 N836	Y828-S832 WeakPolarHBondContact O-CB 3.44Å; Y828-S832 PolarHBondContact O-N 3.31Å; A829-S832 PolarHBondContact O-N 3.17Å; K830-S832 VanDerWaalsContact C-N 3.33Å; S832-N834 PolarHBondContact O-N 3.14Å; S832-K835 PolarHBondContact O-N 3.14Å; S832-K835 VanDerWaalsContact O-N 3.08Å; S832-N836 PolarHBondContact O-N 3.29Å
833	N	61.8	Low	72.3	Confident	55 Å²	55	92.4 Å²	92.4	29%	0.294	47%	0.471	S	S	.	.	H	α-helix	trans	-67.8	-20.4	177.6	-69.4	8	0	0	0	113.4	A829 K830	A829-N833 PolarHBondContact O-N 3.21Å; A829-N833 PolarHBondContact O-OD1 3.18Å; K830-N833 PolarHBondContact O-N 2.95Å
834	N	57.5	Low	71.1	Confident	136 Å²	136	96.5 Å²	96.5	73%	0.727	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-8.3	173.6	-77	-15	0	0	0	113.6	K830 N831 S832	K830-N834 PolarHBondContact O-N 3.39Å; N831-N834 PolarHBondContact O-N 3.49Å; S832-N834 PolarHBondContact O-N 3.14Å
835	K	50.9	Low	70	Confident	186 Å²	186	96.6 Å²	96.6	81%	0.809	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-9.7	-178.3	-80.8	-172.9	177	-178.3	0	114.1	N831 S832	N831-K835 PolarHBondContact O-N 3.12Å; S832-K835 PolarHBondContact O-N 3.14Å; S832-K835 VanDerWaalsContact O-N 3.08Å
836	N	38.5	Very low	68.9	Low	185 Å²	185	96.5 Å²	96.5	99%	0.989	48%	0.483	S	S	*	.			trans	-95.3	0	163.9	-69.9	-15.2	0	0	0	108.7	S832	S832-N836 PolarHBondContact O-N 3.29Å

Retrieved 836 of 836 residues in 136.9 ms (Link to these results)

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