A0A087YBR5_POEFO Loading...

Calcium-transporting ATPase

Catalyzes the hydrolysis of ATP coupled with the transport of calcium.

AlphaFold DB , UniProt , Accession A0A087YBR5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,182 aa.

						>A0A087YBR5_POEFO|A0A087YBR5
MANNTADHPPGNSVAEGGHDGDFGISMQELKGLMELRSAEAVGKIQDGHGDVQNICRKLKTSPIEGLSGNPADLEKRHAAFGKNFIPPKKPKTFLQLVWEALQDVTLIILEIAAIISLGLSFYHPPGGNAEACGQAAGGVEDEGEAQAGWIEGAAILFSVIIVVLVTAFNDWSKEKQFRGLQSRIEQEQKFTVIRKGQVIQIPVAEIVVGDIAQIKYGDLLPADGILIQGNDLKLDESSLTGESDQVRKSLDKDPMLLSGTHVMEGSGRMVVSAVGLNSQTGIIFTLLGSSEHDDEKKVKKGKKQGPPENRNKAKTQDGIALEIQPLKSEEATESEEKEEVKQVKKVNVTKKEKSVLQGKLTRLAVQIGKAGLFMSALTVIILILYFVIHTFAIQGRTWMAECTPIYIQYFVKFFIIGVTVLVVAVPEGLPLAVTISLAYSVKKMMKDNNLVRHLDACETMGNATAICSDKTGTLTMNRMTVVQAYIGDTHYRTVPEPDAINPGTLDTLVNSISVNSAYTTKILPPEKEGGLPRHVGNKTECALLGLVLDLKRDYQPIRDEIPEEKMYKVYTFNSSRKSMSTVLRNADGGFRMYSKGASEIVLRKCSRILDAKGQPRVFKTKDRDEMVKKVIEPMACEGLRTICVAYRDFPAEAGEPNWDNENDILNELTCIAVVGIEDPVRPEVPAAIAKCQRAGITVRMVTGDNINTARAIATKCGILLPGEEFLCLEGKEFNTQIRNDKGEVEQERLDKVWPKLRVLARSSPTDKHTLVKGIIDSTVAETRQVVAVTGDGTNDGPALKKADVGFAMGIAGTDVAKEASDIILTDDNFTSIVKAVMWGRNVYDSISKFLQFQLTVNVVAVIVAFTGACITQDSPLKAVQMLWVNLIMDTLASLALATEPPTESLLLRKPYGRDKPLISRTMMKNILGHAVFQLIIIFTLLFAGEKFFDIDSGRNTPLHSPPSEHYTIVFNVFVMMQLFNEINARKIHGERNVFEGVYKNPIFCSVVLGTFALQIIIVQFGGKPFSCAPLTIDQWLWCVFVGMGELLWGQLISAIPTHHLKFLKEAGHGITKEEIHKEELTEDTDEIDHAEMELRRGQILWFRGLNRIQTQMDVVYTFQTGQAAVPGALRRQPSVVSQHNDATAAKTLSSPTHVGLSSSSSLTNSAGAPPPAAASSSAAGN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.3	Very low	30.6	Very low	246 Å²	246	141.2 Å²	141.2	100%	1.212	85%	0.854	S	S	*	*				0	138.1	0	-77.3	-172.8	-169.7	0	0	108.6
2	A	28.2	Very low	30.4	Very low	102 Å²	102	142.8 Å²	142.8	84%	0.843	86%	0.855	S	S	*	*			trans	51.7	114.4	161.5	0	0	0	0	0	120.7
3	N	34.8	Very low	30.7	Very low	153 Å²	153	139.5 Å²	139.5	82%	0.818	84%	0.843	S	S	*	*			trans	-45.8	140.9	154.7	-86.8	-17.8	0	0	0	112.3
4	N	27.3	Very low	30.8	Very low	165 Å²	165	139.9 Å²	139.9	88%	0.882	85%	0.845	S	S	*	*			trans	-147.9	105.6	140.5	-100.2	-15.1	0	0	0	110.1
5	T	34.9	Very low	31.2	Very low	129 Å²	129	136.9 Å²	136.9	79%	0.791	84%	0.841	S	S	*	*			trans	-61.4	131.8	159.2	39.8	0	0	0	0	110.2
6	A	28.5	Very low	31.3	Very low	102 Å²	102	140.4 Å²	140.4	84%	0.843	85%	0.845	S	S	*	*			trans	-135.6	124.1	158.8	0	0	0	0	0	108.9
7	D	27.3	Very low	31.2	Very low	157 Å²	157	136.1 Å²	136.1	84%	0.84	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-62.5	151.5	-167.9	-78.3	-53.5	0	0	0	116
8	H	29.2	Very low	31.4	Very low	184 Å²	184	133.1 Å²	133.1	85%	0.852	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-56.3	142.6	153	-76.4	-75.2	0	0	0	111.7
9	P	28.9	Very low	31.7	Very low	116 Å²	116	132.4 Å²	132.4	75%	0.753	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-91.1	142.4	152.8	26.8	-16.5	0	0	0	111.2
10	P	32.5	Very low	32.1	Very low	128 Å²	128	135.2 Å²	135.2	83%	0.831	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-80.4	152.8	174.1	34.3	-31.9	0	0	0	111
11	G	33.7	Very low	33.1	Very low	71 Å²	71	131.6 Å²	131.6	73%	0.732	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-74.6	160.1	-168.1	0	0	0	0	0	116.6
12	N	28.5	Very low	34.8	Very low	161 Å²	161	124 Å²	124	86%	0.861	79%	0.786	S	S	*	*				-170.2	134	127.5	-112.9	-8.8	0	0	0	113.4
13	S	34.6	Very low	37.3	Very low	100 Å²	100	120 Å²	120	70%	0.699	75%	0.749	S	S	*	*			trans	42.8	106.8	144.5	62.7	0	0	0	0	120.8
14	V	32.3	Very low	39.4	Very low	145 Å²	145	114.8 Å²	114.8	88%	0.879	73%	0.731	S	S	*	*			trans	-136	118.7	130.3	-175.4	0	0	0	0	107.4
15	A	36.3	Very low	42.2	Very low	95 Å²	95	107.1 Å²	107.1	79%	0.785	69%	0.69	S	S	*	*			trans	-84.1	128.8	174.2	0	0	0	0	0	109.2
16	E	31.9	Very low	44.6	Very low	193 Å²	193	102.8 Å²	102.8	90%	0.902	67%	0.665	S	S	*	*			trans	-155.6	128.4	155	-108.7	-179.5	-171.5	0	0	109.7
17	G	29.6	Very low	47.4	Very low	67 Å²	67	100.7 Å²	100.7	69%	0.691	64%	0.638	S	S	*	*	S	Bend	trans	89.5	103.4	162.8	0	0	0	0	0	116.5	H19	G17-H19 PolarHBondContact O-N 2.93Å
18	G	35.2	Very low	50.1	Low	82 Å²	82	100.7 Å²	100.7	85%	0.845	63%	0.633	S	S	*	*			trans	-60.4	121.3	-175.9	0	0	0	0	0	115
19	H	38.3	Very low	52.9	Low	120 Å²	120	95 Å²	95	56%	0.556	61%	0.607	S	S	*	*			trans	-136.1	118.3	159.9	-73.7	-78.5	0	0	0	108.6	G17 G21	G17-H19 PolarHBondContact O-N 2.93Å; H19-G21 PolarHBondContact O-N 3.18Å
20	D	38.5	Very low	55.6	Low	187 Å²	187	89.5 Å²	89.5	100%	1	57%	0.571	S	S	*	*			trans	-64.7	107.8	170.9	-105.8	-28.4	0	0	0	109.4
21	G	52.4	Low	58.1	Low	61 Å²	61	86.4 Å²	86.4	63%	0.629	55%	0.545	S	S	*	.	S	Bend	trans	152.2	156.9	166.5	0	0	0	0	0	117.1	H19 F23	H19-G21 PolarHBondContact O-N 3.18Å; G21-F23 PolarHBondContact O-N 3.21Å; G21-F23 VanDerWaalsContact O-N 3.14Å
22	D	67.8	Low	60.5	Low	87 Å²	87	83.9 Å²	83.9	47%	0.465	52%	0.519	S	S	.	.	S	Bend	trans	-67.1	-4	174.7	-150.7	-9.7	0	0	0	112.4	K60 K76	D22-K60 WeakPolarHBondContact O-CE 3.38Å; D22-K60 PolarHBondContact O-NZ 2.89Å; D22-K60 IonicContact OD1-NZ 3.35Å; D22-K60 PolarHBondContact OD1-NZ 2.94Å; D22-K76 IonicContact OD2-NZ 2.88Å; D22-K76 PolarHBondContact OD2-NZ 3.42Å
23	F	81.1	Confident	63.2	Low	18 Å²	18	76.4 Å²	76.4	8%	0.079	48%	0.479	C	S	.	.	S	Bend	trans	-120.1	145.4	-177.5	-59.7	-80.8	0	0	0	111.2	G21 I25 R77 A80 F81	G21-F23 PolarHBondContact O-N 3.21Å; G21-F23 VanDerWaalsContact O-N 3.14Å; F23-I25 PolarHBondContact O-N 3.44Å; F23-R77 HydrophobicContact CE1-CG 4.27Å; F23-R77 HydrophobicContact CE2-CG 4.44Å; F23-R77 HydrophobicContact CZ-CG 3.71Å; F23-A80 HydrophobicContact CD2-CB 4.15Å; F23-A80 HydrophobicContact CE2-CB 4.09Å; F23-F81 HydrophobicContact CB-CE2 4.47Å; F23-F81 HydrophobicContact CB-CZ 3.99Å; F23-F81 HydrophobicContact CD1-CE2 4.34Å; F23-F81 AromaticContact CD2-CE2 3.67Å; F23-F81 HydrophobicContact CD2-CE2 3.67Å; F23-F81 AromaticContact CD2-CZ 3.94Å; F23-F81 HydrophobicContact CD2-CZ 3.94Å; F23-F81 AromaticContact CE2-CE2 3.92Å; F23-F81 HydrophobicContact CE2-CE2 3.92Å; F23-F81 AromaticContact CG-CE2 3.91Å; F23-F81 HydrophobicContact CG-CE2 3.91Å; F23-F81 AromaticContact CG-CZ 3.93Å; F23-F81 HydrophobicContact CG-CZ 3.93Å; F23-F81 HydrophobicContact CZ-CE2 4.37Å
24	G	79.3	Confident	65.7	Low	42 Å²	42	71.6 Å²	71.6	43%	0.433	45%	0.446	S	S	.	.	S	Bend	trans	-82.7	12.9	-175.5	0	0	0	0	0	115.5	K58	G24-K58 PolarHBondContact N-O 3.15Å; G24-K58 VanDerWaalsContact N-O 3.07Å; G24-K58 WeakPolarHBondContact O-CD 3.33Å
25	I	84.6	Confident	68.1	Low	5 Å²	5	70.2 Å²	70.2	3%	0.026	43%	0.429	C	S	.	.	S	Bend	trans	-147.1	138.2	178.9	-166.2	165.3	0	0	0	109.3	F23 E29 L30 L33 K58 L59	F23-I25 PolarHBondContact O-N 3.44Å; I25-E29 HydrophobicContact CG1-CB 4.37Å; I25-E29 HydrophobicContact CG1-CG 4.22Å; I25-E29 WeakPolarHBondContact CG1-OE2 3.38Å; I25-L30 HydrophobicContact CD1-CD2 3.61Å; I25-L30 HydrophobicContact CD1-CG 3.94Å; I25-L30 HydrophobicContact CG1-CD2 4.3Å; I25-L30 HydrophobicContact CG1-CG 4.08Å; I25-L30 HydrophobicContact CG2-CD1 4.16Å; I25-L30 HydrophobicContact CG2-CG 4.4Å; I25-L33 HydrophobicContact CD1-CD1 4.46Å; I25-K58 HydrophobicContact CB-CB 4.15Å; I25-K58 HydrophobicContact CB-CD 4.29Å; I25-K58 HydrophobicContact CG2-CB 4.21Å; I25-L59 HydrophobicContact CG2-CD2 3.49Å; I25-L59 VanDerWaalsContact CG2-CD2 3.49Å; I25-L59 HydrophobicContact CG2-CG 3.87Å
26	S	86.6	Confident	70.4	Confident	37 Å²	37	67 Å²	67	26%	0.259	40%	0.399	S	S	.	.			trans	-90	158.1	-177.2	74.8	0	0	0	0	112.8	Q28 E29 L30	S26-Q28 VanDerWaalsContact C-N 3.33Å; S26-Q28 PolarHBondContact O-N 3.28Å; S26-E29 PolarHBondContact N-OE2 3.2Å; S26-E29 PolarHBondContact O-N 3.29Å; S26-E29 VanDerWaalsContact OG-CB 3.23Å; S26-E29 WeakPolarHBondContact OG-CB 3.11Å; S26-E29 PolarHBondContact OG-N 3.09Å; S26-L30 PolarHBondContact O-N 3.13Å; S26-L30 VanDerWaalsContact O-N 3.12Å
27	M	86.7	Confident	72.6	Confident	58 Å²	58	61.3 Å²	61.3	29%	0.286	37%	0.369	S	S	.	.	H	α-helix	trans	-62.1	-37.7	175.4	170.7	-96.3	-176.4	0	0	112.7	K31 F81 N278	M27-K31 WeakPolarHBondContact O-CB 3.3Å; M27-K31 PolarHBondContact O-N 2.95Å; M27-F81 HydrophobicContact CB-CD1 3.84Å; M27-F81 HydrophobicContact CB-CE1 4.41Å; M27-N278 HydrophobicContact CE-CB 3.89Å; M27-N278 VanDerWaalsContact CE-ND2 3.26Å; M27-N278 WeakPolarHBondContact CE-ND2 3.47Å; M27-N278 WeakPolarHBondContact CE-OD1 3.45Å
28	Q	84.8	Confident	75.1	Confident	157 Å²	157	61 Å²	61	73%	0.734	36%	0.357	S	S	*	.	H	α-helix	trans	-68	-36.5	177.7	-73.3	179.4	-9.3	0	0	112.3	S26 K31 G32	S26-Q28 VanDerWaalsContact C-N 3.33Å; S26-Q28 PolarHBondContact O-N 3.28Å; Q28-K31 PolarHBondContact O-N 2.82Å; Q28-G32 PolarHBondContact O-N 3.03Å
29	E	86.6	Confident	77.2	Confident	64 Å²	64	60.8 Å²	60.8	30%	0.299	35%	0.347	S	S	.	.	H	α-helix	trans	-68.5	-44.6	178.4	-172.5	173.3	-160.1	0	0	111.5	I25 S26 K31 G32 L33 H49	I25-E29 HydrophobicContact CG1-CB 4.37Å; I25-E29 HydrophobicContact CG1-CG 4.22Å; I25-E29 WeakPolarHBondContact CG1-OE2 3.38Å; S26-E29 PolarHBondContact N-OE2 3.2Å; S26-E29 PolarHBondContact O-N 3.29Å; S26-E29 VanDerWaalsContact OG-CB 3.23Å; S26-E29 WeakPolarHBondContact OG-CB 3.11Å; S26-E29 PolarHBondContact OG-N 3.09Å; E29-K31 VanDerWaalsContact C-N 3.33Å; E29-K31 PolarHBondContact O-N 3.27Å; E29-G32 PolarHBondContact O-N 3.34Å; E29-L33 PolarHBondContact O-N 3.41Å; E29-H49 IonicContact OE1-CE1 3.76Å; E29-H49 PolarHBondContact OE1-CE1 2.85Å; E29-H49 IonicContact OE1-NE2 3.86Å
30	L	86.8	Confident	79.3	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-60.9	-40.9	171.7	-72.9	169.8	0	0	0	112.2	I25 S26 L33 M34 L59 F81 V209	I25-L30 HydrophobicContact CD1-CD2 3.61Å; I25-L30 HydrophobicContact CD1-CG 3.94Å; I25-L30 HydrophobicContact CG1-CD2 4.3Å; I25-L30 HydrophobicContact CG1-CG 4.08Å; I25-L30 HydrophobicContact CG2-CD1 4.16Å; I25-L30 HydrophobicContact CG2-CG 4.4Å; S26-L30 PolarHBondContact O-N 3.13Å; S26-L30 VanDerWaalsContact O-N 3.12Å; L30-L33 HydrophobicContact CD2-CD1 4.43Å; L30-L33 WeakPolarHBondContact O-CB 3.19Å; L30-L33 PolarHBondContact O-N 3.02Å; L30-M34 WeakPolarHBondContact O-CG 3.5Å; L30-M34 PolarHBondContact O-N 2.87Å; L30-L59 HydrophobicContact CD1-CD2 4.16Å; L30-F81 HydrophobicContact CD1-CD1 4.11Å; L30-F81 HydrophobicContact CD1-CE1 3.87Å; L30-V209 HydrophobicContact CD1-CG1 3.79Å
31	K	85.2	Confident	81.4	Confident	63 Å²	63	53 Å²	53	27%	0.274	30%	0.304	S	S	.	.	H	α-helix	trans	-62	-46.7	176	-173	-174.8	179.4	-171.5	0	111.4	M27 Q28 E29 L33 M34 E35 I283	M27-K31 WeakPolarHBondContact O-CB 3.3Å; M27-K31 PolarHBondContact O-N 2.95Å; Q28-K31 PolarHBondContact O-N 2.82Å; E29-K31 VanDerWaalsContact C-N 3.33Å; E29-K31 PolarHBondContact O-N 3.27Å; K31-L33 VanDerWaalsContact C-N 3.28Å; K31-L33 PolarHBondContact O-N 3.14Å; K31-M34 PolarHBondContact O-N 3.14Å; K31-M34 VanDerWaalsContact O-N 3.11Å; K31-E35 PolarHBondContact O-N 3.24Å; K31-I283 HydrophobicContact CD-CD1 4.42Å; K31-I283 HydrophobicContact CG-CD1 4.39Å
32	G	83.1	Confident	82.9	Confident	19 Å²	19	51.4 Å²	51.4	20%	0.196	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-27.2	177.6	0	0	0	0	0	113.7	Q28 E29	Q28-G32 PolarHBondContact O-N 3.03Å; E29-G32 PolarHBondContact O-N 3.34Å
33	L	85	Confident	83.6	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-65.3	-40.7	169.8	-85	153.1	0	0	0	111.8	I25 E29 L30 K31 E35 L36 K44 I45	I25-L33 HydrophobicContact CD1-CD1 4.46Å; E29-L33 PolarHBondContact O-N 3.41Å; L30-L33 HydrophobicContact CD2-CD1 4.43Å; L30-L33 WeakPolarHBondContact O-CB 3.19Å; L30-L33 PolarHBondContact O-N 3.02Å; K31-L33 VanDerWaalsContact C-N 3.28Å; K31-L33 PolarHBondContact O-N 3.14Å; L33-E35 PolarHBondContact O-N 2.96Å; L33-L36 PolarHBondContact O-N 3.34Å; L33-K44 HydrophobicContact CD2-CG 4.48Å; L33-I45 HydrophobicContact CD2-CG1 3.75Å
34	M	87.1	Confident	83.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-72.5	-10.8	-178.8	-61.9	-58.3	95	0	0	113.7	L30 K31 R37 D224 I226 M256 A274 Q280	L30-M34 WeakPolarHBondContact O-CG 3.5Å; L30-M34 PolarHBondContact O-N 2.87Å; K31-M34 PolarHBondContact O-N 3.14Å; K31-M34 VanDerWaalsContact O-N 3.11Å; M34-R37 PolarHBondContact O-NH1 3.12Å; M34-D224 HydrophobicContact CG-CB 3.82Å; M34-D224 HydrophobicContact SD-CB 3.65Å; M34-I226 HydrophobicContact CE-CD1 4.01Å; M34-I226 HydrophobicContact CE-CG1 3.67Å; M34-M256 HydrophobicContact CE-CE 4.47Å; M34-M256 HydrophobicContact CE-SD 3.44Å; M34-M256 WeakPolarHBondContact CE-SD 3.42Å; M34-M256 HydrophobicContact SD-SD 4.4Å; M34-A274 HydrophobicContact CG-CB 4.26Å; M34-Q280 HydrophobicContact CB-CG 4.3Å; M34-Q280 PolarHBondContact O-NE2 3.22Å
35	E	83.3	Confident	83.9	Confident	115 Å²	115	51.3 Å²	51.3	54%	0.537	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-20	173.3	-68.3	173.4	179.7	0	0	112.3	K31 L33	K31-E35 PolarHBondContact O-N 3.24Å; L33-E35 PolarHBondContact O-N 2.96Å
36	L	84	Confident	83.8	Confident	28 Å²	28	57.1 Å²	57.1	15%	0.147	30%	0.301	C	S	.	.			trans	-84.8	158.6	-177.7	-56.6	167.5	0	0	0	111.7	L33 A41 K44	L33-L36 PolarHBondContact O-N 3.34Å; L36-A41 HydrophobicContact CB-CB 3.88Å; L36-K44 HydrophobicContact CD1-CB 3.71Å; L36-K44 HydrophobicContact CD1-CD 3.44Å; L36-K44 VanDerWaalsContact CD1-CD 3.44Å; L36-K44 HydrophobicContact CD1-CG 3.73Å
37	R	78.6	Confident	83.6	Confident	73 Å²	73	62.2 Å²	62.2	28%	0.275	33%	0.326	S	S	.	.			trans	-136.1	151.9	-180	-64.6	-68.8	179.1	-92.3	-4.1	111.7	M34 A39 E40 A41 L258	M34-R37 PolarHBondContact O-NH1 3.12Å; R37-A39 PolarHBondContact O-N 2.89Å; R37-E40 PolarHBondContact O-N 3.05Å; R37-A41 PolarHBondContact O-N 2.78Å; R37-L258 VanDerWaalsContact CZ-CD1 3.46Å
38	S	81.8	Confident	83	Confident	61 Å²	61	61.8 Å²	61.8	43%	0.427	34%	0.336	S	S	.	.	H	α-helix	trans	52	-131.4	167.1	-55.5	0	0	0	0	112.9	E40 A41 V42 K253	S38-E40 VanDerWaalsContact C-N 3.27Å; S38-E40 PolarHBondContact O-N 3.34Å; S38-A41 WeakPolarHBondContact O-CB 3.5Å; S38-A41 PolarHBondContact O-N 2.96Å; S38-A41 VanDerWaalsContact O-N 3.15Å; S38-V42 PolarHBondContact O-N 3.09Å; S38-K253 CarbonylContact C-O 3.5Å; S38-K253 WeakPolarHBondContact CA-O 3.42Å
39	A	79.1	Confident	82.7	Confident	78 Å²	78	55 Å²	55	65%	0.645	31%	0.305	S	S	*	.	H	α-helix	trans	-61	-30.7	-176.2	0	0	0	0	0	114	R37 V42 G43	R37-A39 PolarHBondContact O-N 2.89Å; A39-V42 PolarHBondContact O-N 2.65Å; A39-G43 PolarHBondContact O-N 3.06Å
40	E	83.2	Confident	82.4	Confident	142 Å²	142	53.5 Å²	53.5	66%	0.664	31%	0.307	S	S	*	.	H	α-helix	trans	-69.1	-37.9	177.8	-63.7	-176.6	174.1	0	0	111.6	R37 S38 K44	R37-E40 PolarHBondContact O-N 3.05Å; S38-E40 VanDerWaalsContact C-N 3.27Å; S38-E40 PolarHBondContact O-N 3.34Å; E40-K44 WeakPolarHBondContact O-CB 3.45Å; E40-K44 PolarHBondContact O-N 3.4Å
41	A	82.3	Confident	82.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.5	-43.4	175.2	0	0	0	0	0	111.1	L36 R37 S38 K44 I45 M256	L36-A41 HydrophobicContact CB-CB 3.88Å; R37-A41 PolarHBondContact O-N 2.78Å; S38-A41 WeakPolarHBondContact O-CB 3.5Å; S38-A41 PolarHBondContact O-N 2.96Å; S38-A41 VanDerWaalsContact O-N 3.15Å; A41-K44 PolarHBondContact O-N 2.8Å; A41-I45 WeakPolarHBondContact O-CB 3.49Å; A41-I45 WeakPolarHBondContact O-CD1 3.31Å; A41-I45 WeakPolarHBondContact O-CG1 3.26Å; A41-I45 PolarHBondContact O-N 3.12Å; A41-M256 HydrophobicContact CB-CE 4.41Å; A41-M256 HydrophobicContact CB-CG 3.73Å; A41-M256 HydrophobicContact CB-SD 4.23Å
42	V	84.1	Confident	82.1	Confident	28 Å²	28	54.5 Å²	54.5	17%	0.17	32%	0.315	C	S	.	.	H	α-helix	trans	-61.3	-49.5	177	178.5	0	0	0	0	110.7	S38 A39 K44 I45 Q46 P255	S38-V42 PolarHBondContact O-N 3.09Å; A39-V42 PolarHBondContact O-N 2.65Å; V42-K44 PolarHBondContact O-N 2.78Å; V42-I45 PolarHBondContact O-N 2.89Å; V42-Q46 WeakPolarHBondContact O-CB 3.32Å; V42-Q46 PolarHBondContact O-N 2.81Å; V42-P255 HydrophobicContact CG2-CG 4.11Å
43	G	81.6	Confident	82.2	Confident	28 Å²	28	57.5 Å²	57.5	29%	0.289	32%	0.324	S	S	.	.	H	α-helix	trans	-58.5	-46.1	178.5	0	0	0	0	0	112.3	A39 I45 Q46 D47	A39-G43 PolarHBondContact O-N 3.06Å; G43-I45 PolarHBondContact O-N 3.26Å; G43-Q46 PolarHBondContact O-N 3.49Å; G43-D47 WeakPolarHBondContact O-CB 3.41Å; G43-D47 PolarHBondContact O-N 3.3Å
44	K	83.8	Confident	82.3	Confident	109 Å²	109	59.5 Å²	59.5	47%	0.474	34%	0.335	S	S	.	.	H	α-helix	trans	-68.3	-32.9	-179.7	-170.2	133.6	156.7	-162	0	113.5	L33 L36 E40 A41 V42 G48	L33-K44 HydrophobicContact CD2-CG 4.48Å; L36-K44 HydrophobicContact CD1-CB 3.71Å; L36-K44 HydrophobicContact CD1-CD 3.44Å; L36-K44 VanDerWaalsContact CD1-CD 3.44Å; L36-K44 HydrophobicContact CD1-CG 3.73Å; E40-K44 WeakPolarHBondContact O-CB 3.45Å; E40-K44 PolarHBondContact O-N 3.4Å; A41-K44 PolarHBondContact O-N 2.8Å; V42-K44 PolarHBondContact O-N 2.78Å; K44-G48 WeakPolarHBondContact O-CA 3.2Å; K44-G48 PolarHBondContact O-N 3.46Å
45	I	84.5	Confident	82.2	Confident	8 Å²	8	59.5 Å²	59.5	4%	0.041	34%	0.335	C	S	.	.	H	α-helix	trans	-67.8	-43.4	172.8	-69.8	164.4	0	0	0	110.4	L33 A41 V42 G43 H49 G50 V52 I55 I226 P255 M256	L33-I45 HydrophobicContact CD2-CG1 3.75Å; A41-I45 WeakPolarHBondContact O-CB 3.49Å; A41-I45 WeakPolarHBondContact O-CD1 3.31Å; A41-I45 WeakPolarHBondContact O-CG1 3.26Å; A41-I45 PolarHBondContact O-N 3.12Å; V42-I45 PolarHBondContact O-N 2.89Å; G43-I45 PolarHBondContact O-N 3.26Å; I45-H49 CarbonylContact O-C 3.54Å; I45-H49 WeakPolarHBondContact O-CA 3.24Å; I45-H49 WeakPolarHBondContact O-CB 3.38Å; I45-H49 PolarHBondContact O-N 2.96Å; I45-G50 PolarHBondContact O-N 2.75Å; I45-V52 HydrophobicContact CG2-CG2 4.38Å; I45-I55 HydrophobicContact CG1-CD1 4.45Å; I45-I55 HydrophobicContact CG2-CD1 4.18Å; I45-I226 HydrophobicContact CD1-CD1 4.47Å; I45-I226 HydrophobicContact CD1-CG2 4.32Å; I45-P255 HydrophobicContact CD1-CG 4.18Å; I45-M256 HydrophobicContact CD1-CE 3.46Å; I45-M256 VanDerWaalsContact CD1-CE 3.46Å
46	Q	82.5	Confident	82.4	Confident	127 Å²	127	54 Å²	54	59%	0.593	31%	0.309	S	S	*	.	H	α-helix	trans	-66.4	-47.5	179.9	-160.2	109.9	28.3	0	0	111.6	V42 G43 G50	V42-Q46 WeakPolarHBondContact O-CB 3.32Å; V42-Q46 PolarHBondContact O-N 2.81Å; G43-Q46 PolarHBondContact O-N 3.49Å; Q46-G50 WeakPolarHBondContact O-CA 3.47Å; Q46-G50 PolarHBondContact O-N 3.29Å
47	D	80.7	Confident	82.5	Confident	144 Å²	144	61 Å²	61	77%	0.77	33%	0.334	S	S	*	.	H	α-helix	trans	-76.7	-38.7	-175.1	-65.6	-19.5	0	0	0	112.5	G43	G43-D47 WeakPolarHBondContact O-CB 3.41Å; G43-D47 PolarHBondContact O-N 3.3Å
48	G	75.7	Confident	82.9	Confident	49 Å²	49	60.8 Å²	60.8	51%	0.505	34%	0.335	S	S	.	.	H	α-helix	trans	-89.2	-28.5	-176.5	0	0	0	0	0	114.4	K44	K44-G48 WeakPolarHBondContact O-CA 3.2Å; K44-G48 PolarHBondContact O-N 3.46Å
49	H	77.7	Confident	83.2	Confident	15 Å²	15	57.9 Å²	57.9	7%	0.069	31%	0.314	C	S	.	.	H	α-helix	trans	-134.1	-5.8	-170.8	-59	-36.7	0	0	0	114.4	E29 I45 D51 N54 I55 K58	E29-H49 IonicContact OE1-CE1 3.76Å; E29-H49 PolarHBondContact OE1-CE1 2.85Å; E29-H49 IonicContact OE1-NE2 3.86Å; I45-H49 CarbonylContact O-C 3.54Å; I45-H49 WeakPolarHBondContact O-CA 3.24Å; I45-H49 WeakPolarHBondContact O-CB 3.38Å; I45-H49 PolarHBondContact O-N 2.96Å; H49-D51 VanDerWaalsContact C-N 3.27Å; H49-D51 PolarHBondContact O-N 2.69Å; H49-N54 WeakPolarHBondContact O-CB 3.47Å; H49-N54 PolarHBondContact O-ND2 3.23Å; H49-I55 HydrophobicContact CB-CD1 4.28Å; H49-I55 HydrophobicContact CB-CG1 3.84Å; H49-K58 PolarHBondContact ND1-NZ 3.21Å; H49-K58 VanDerWaalsContact ND1-NZ 3.18Å
50	G	80.8	Confident	83.7	Confident	33 Å²	33	59.9 Å²	59.9	34%	0.34	31%	0.309	S	S	.	.	S	Bend	trans	79.2	-65.5	-177.3	0	0	0	0	0	112.8	I45 Q46	I45-G50 PolarHBondContact O-N 2.75Å; Q46-G50 WeakPolarHBondContact O-CA 3.47Å; Q46-G50 PolarHBondContact O-N 3.29Å
51	D	81.7	Confident	84	Confident	67 Å²	67	53.6 Å²	53.6	36%	0.358	28%	0.28	S	S	.	.	S	Bend	trans	-152.1	172.9	178.4	77.5	-11.5	0	0	0	112.7	H49 Q53 N54 I55	H49-D51 VanDerWaalsContact C-N 3.27Å; H49-D51 PolarHBondContact O-N 2.69Å; D51-Q53 PolarHBondContact O-N 3.13Å; D51-Q53 WeakPolarHBondContact OD1-CA 3.47Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.17Å; D51-Q53 PolarHBondContact OD1-N 3.38Å; D51-Q53 VanDerWaalsContact OD1-N 3.14Å; D51-Q53 VanDerWaalsContact OD2-CB 3.25Å; D51-Q53 WeakPolarHBondContact OD2-CB 3.39Å; D51-Q53 VanDerWaalsContact OD2-CG 3.27Å; D51-Q53 WeakPolarHBondContact OD2-CG 3.46Å; D51-N54 PolarHBondContact O-N 3.01Å; D51-N54 WeakPolarHBondContact OD1-CB 3.29Å; D51-N54 PolarHBondContact OD1-N 3.1Å; D51-I55 PolarHBondContact O-N 2.85Å
52	V	83.9	Confident	84.4	Confident	18 Å²	18	55.6 Å²	55.6	11%	0.109	29%	0.294	C	S	.	.	H	α-helix	trans	-64.9	-25.6	177.5	-175.2	0	0	0	0	111.7	I45 I55 C56 I226 I228 V271	I45-V52 HydrophobicContact CG2-CG2 4.38Å; V52-I55 PolarHBondContact O-N 3.48Å; V52-C56 PolarHBondContact O-N 3.17Å; V52-C56 VanDerWaalsContact O-N 3.1Å; V52-C56 PolarHBondContact O-SG 3.03Å; V52-I226 HydrophobicContact CG1-CB 4.5Å; V52-I226 HydrophobicContact CG1-CG2 3.88Å; V52-I226 HydrophobicContact CG2-CG2 3.79Å; V52-I228 HydrophobicContact CG1-CG1 4Å; V52-V271 HydrophobicContact CG1-CG1 4.29Å
53	Q	85.4	Confident	84.4	Confident	81 Å²	81	55.4 Å²	55.4	38%	0.379	29%	0.293	S	S	.	.	H	α-helix	trans	-69.5	-37.5	177.9	-55.8	-68.3	-33	0	0	111.9	D51 I55 C56 R57	D51-Q53 PolarHBondContact O-N 3.13Å; D51-Q53 WeakPolarHBondContact OD1-CA 3.47Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.17Å; D51-Q53 PolarHBondContact OD1-N 3.38Å; D51-Q53 VanDerWaalsContact OD1-N 3.14Å; D51-Q53 VanDerWaalsContact OD2-CB 3.25Å; D51-Q53 WeakPolarHBondContact OD2-CB 3.39Å; D51-Q53 VanDerWaalsContact OD2-CG 3.27Å; D51-Q53 WeakPolarHBondContact OD2-CG 3.46Å; Q53-I55 VanDerWaalsContact C-N 3.33Å; Q53-C56 WeakPolarHBondContact O-CB 3.22Å; Q53-C56 PolarHBondContact O-N 2.94Å; Q53-R57 PolarHBondContact O-N 2.64Å
54	N	86.1	Confident	84.5	Confident	45 Å²	45	60 Å²	60	24%	0.241	31%	0.31	C	S	.	.	H	α-helix	trans	-65.2	-36.8	173.4	-81.1	-24.1	0	0	0	111.6	H49 D51 R57 K58	H49-N54 WeakPolarHBondContact O-CB 3.47Å; H49-N54 PolarHBondContact O-ND2 3.23Å; D51-N54 PolarHBondContact O-N 3.01Å; D51-N54 WeakPolarHBondContact OD1-CB 3.29Å; D51-N54 PolarHBondContact OD1-N 3.1Å; N54-R57 WeakPolarHBondContact O-CB 3.36Å; N54-R57 PolarHBondContact O-N 3.23Å; N54-R57 PolarHBondContact OD1-NH1 3.4Å; N54-R57 PolarHBondContact OD1-NH2 3.38Å; N54-K58 WeakPolarHBondContact O-CG 3.15Å; N54-K58 PolarHBondContact O-N 2.76Å
55	I	86.1	Confident	84.4	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.2	-45.2	172.6	-61.4	176.4	0	0	0	110	I45 H49 D51 V52 Q53 R57 K58 L59 I226	I45-I55 HydrophobicContact CG1-CD1 4.45Å; I45-I55 HydrophobicContact CG2-CD1 4.18Å; H49-I55 HydrophobicContact CB-CD1 4.28Å; H49-I55 HydrophobicContact CB-CG1 3.84Å; D51-I55 PolarHBondContact O-N 2.85Å; V52-I55 PolarHBondContact O-N 3.48Å; Q53-I55 VanDerWaalsContact C-N 3.33Å; I55-R57 VanDerWaalsContact C-N 3.29Å; I55-R57 PolarHBondContact O-N 2.89Å; I55-K58 PolarHBondContact O-N 2.77Å; I55-L59 HydrophobicContact CG2-CD1 4.05Å; I55-L59 WeakPolarHBondContact O-CB 3.43Å; I55-L59 WeakPolarHBondContact O-CG 3.47Å; I55-L59 PolarHBondContact O-N 3.12Å; I55-I226 HydrophobicContact CD1-CD1 3.73Å
56	C	86.4	Confident	84.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-58.8	-40.8	174.3	-63.8	0	0	0	0	111.7	V52 Q53 L59 K60 T61 P63	V52-C56 PolarHBondContact O-N 3.17Å; V52-C56 VanDerWaalsContact O-N 3.1Å; V52-C56 PolarHBondContact O-SG 3.03Å; Q53-C56 WeakPolarHBondContact O-CB 3.22Å; Q53-C56 PolarHBondContact O-N 2.94Å; C56-L59 CarbonylContact O-C 3.6Å; C56-L59 PolarHBondContact O-N 2.89Å; C56-K60 PolarHBondContact O-N 2.92Å; C56-K60 VanDerWaalsContact O-N 3.12Å; C56-T61 CarbonylContact C-O 3.58Å; C56-T61 PolarHBondContact O-N 3.3Å; C56-P63 HydrophobicContact CB-CG 4.2Å
57	R	86.9	Confident	85.1	Confident	174 Å²	174	54.7 Å²	54.7	66%	0.657	29%	0.289	S	S	*	.	H	α-helix	trans	-65.2	-44.7	177	-162.1	-173.5	-47.6	158.9	12.8	112.6	Q53 N54 I55 L59 K60	Q53-R57 PolarHBondContact O-N 2.64Å; N54-R57 WeakPolarHBondContact O-CB 3.36Å; N54-R57 PolarHBondContact O-N 3.23Å; N54-R57 PolarHBondContact OD1-NH1 3.4Å; N54-R57 PolarHBondContact OD1-NH2 3.38Å; I55-R57 VanDerWaalsContact C-N 3.29Å; I55-R57 PolarHBondContact O-N 2.89Å; R57-L59 VanDerWaalsContact C-N 3.25Å; R57-L59 PolarHBondContact O-N 3.38Å; R57-K60 PolarHBondContact O-N 3.35Å
58	K	87.1	Confident	85.2	Confident	69 Å²	69	51 Å²	51	30%	0.3	28%	0.275	S	S	.	.	H	α-helix	trans	-61.8	-33.9	175.5	-75.6	179.7	170.3	-162.2	0	112.1	G24 I25 H49 N54 I55 K60	G24-K58 PolarHBondContact N-O 3.15Å; G24-K58 VanDerWaalsContact N-O 3.07Å; G24-K58 WeakPolarHBondContact O-CD 3.33Å; I25-K58 HydrophobicContact CB-CB 4.15Å; I25-K58 HydrophobicContact CB-CD 4.29Å; I25-K58 HydrophobicContact CG2-CB 4.21Å; H49-K58 PolarHBondContact ND1-NZ 3.21Å; H49-K58 VanDerWaalsContact ND1-NZ 3.18Å; N54-K58 WeakPolarHBondContact O-CG 3.15Å; N54-K58 PolarHBondContact O-N 2.76Å; I55-K58 PolarHBondContact O-N 2.77Å; K58-K60 VanDerWaalsContact C-N 3.29Å
59	L	87.8	Confident	85.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	1.8	173.8	-71.1	175	0	0	0	114.4	I25 L30 I55 C56 R57 T61 R77 F81 V209 V271	I25-L59 HydrophobicContact CG2-CD2 3.49Å; I25-L59 VanDerWaalsContact CG2-CD2 3.49Å; I25-L59 HydrophobicContact CG2-CG 3.87Å; L30-L59 HydrophobicContact CD1-CD2 4.16Å; I55-L59 HydrophobicContact CG2-CD1 4.05Å; I55-L59 WeakPolarHBondContact O-CB 3.43Å; I55-L59 WeakPolarHBondContact O-CG 3.47Å; I55-L59 PolarHBondContact O-N 3.12Å; C56-L59 CarbonylContact O-C 3.6Å; C56-L59 PolarHBondContact O-N 2.89Å; R57-L59 VanDerWaalsContact C-N 3.25Å; R57-L59 PolarHBondContact O-N 3.38Å; L59-T61 VanDerWaalsContact C-N 3.26Å; L59-T61 PolarHBondContact O-N 3.23Å; L59-T61 PolarHBondContact O-OG1 2.92Å; L59-R77 PolarHBondContact O-NH1 3.08Å; L59-R77 PolarHBondContact O-NH2 3.04Å; L59-F81 HydrophobicContact CD2-CE2 4.38Å; L59-F81 HydrophobicContact CD2-CZ 4.01Å; L59-V209 HydrophobicContact CD1-CG1 4.36Å; L59-V209 HydrophobicContact CD2-CG1 3.91Å; L59-V271 HydrophobicContact CD1-CG2 4.02Å
60	K	89.7	Confident	85.8	Confident	121 Å²	121	53.2 Å²	53.2	53%	0.526	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	41.1	-176	-57.4	-178.4	-175.7	172.6	0	112.8	D22 C56 R57 K58	D22-K60 WeakPolarHBondContact O-CE 3.38Å; D22-K60 PolarHBondContact O-NZ 2.89Å; D22-K60 IonicContact OD1-NZ 3.35Å; D22-K60 PolarHBondContact OD1-NZ 2.94Å; C56-K60 PolarHBondContact O-N 2.92Å; C56-K60 VanDerWaalsContact O-N 3.12Å; R57-K60 PolarHBondContact O-N 3.35Å; K58-K60 VanDerWaalsContact C-N 3.29Å
61	T	89.9	Confident	86.2	Confident	10 Å²	10	56 Å²	56	6%	0.061	29%	0.293	C	S	.	.			trans	-117.7	139.8	-179.3	-67.3	0	0	0	0	110.9	C56 L59 L67 G210 I212	C56-T61 CarbonylContact C-O 3.58Å; C56-T61 PolarHBondContact O-N 3.3Å; L59-T61 VanDerWaalsContact C-N 3.26Å; L59-T61 PolarHBondContact O-N 3.23Å; L59-T61 PolarHBondContact O-OG1 2.92Å; T61-L67 HydrophobicContact CG2-CD2 4.23Å; T61-L67 WeakPolarHBondContact OG1-CD2 3.24Å; T61-G210 WeakPolarHBondContact CB-O 3.22Å; T61-G210 WeakPolarHBondContact CG2-O 3.44Å; T61-G210 PolarHBondContact OG1-O 3.5Å; T61-I212 HydrophobicContact CG2-CD1 3.62Å; T61-I212 HydrophobicContact CG2-CG1 3.73Å
62	S	89.3	Confident	86.4	Confident	42 Å²	42	55.2 Å²	55.2	29%	0.294	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-83.7	127.6	168	176.8	0	0	0	0	110.8	I64 E65 G66 I212	S62-I64 PolarHBondContact O-N 2.84Å; S62-I64 PolarHBondContact OG-N 2.84Å; S62-E65 PolarHBondContact OG-N 2.69Å; S62-E65 VanDerWaalsContact OG-N 3.1Å; S62-G66 PolarHBondContact N-O 3.03Å; S62-G66 WeakPolarHBondContact O-CA 3.39Å; S62-G66 PolarHBondContact O-N 2.96Å; S62-I212 WeakPolarHBondContact O-CG1 2.73Å
63	P	84.2	Confident	86.6	Confident	24 Å²	24	56 Å²	56	16%	0.156	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.6	176	-3.3	8.2	0	0	0	114	C56 I228	C56-P63 HydrophobicContact CB-CG 4.2Å; P63-I228 HydrophobicContact CB-CG2 4.32Å
64	I	83.7	Confident	86.8	Confident	125 Å²	125	53.5 Å²	53.5	64%	0.641	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-46.7	-178.2	-56.7	174.4	0	0	0	110.6	S62	S62-I64 PolarHBondContact O-N 2.84Å; S62-I64 PolarHBondContact OG-N 2.84Å
65	E	83.2	Confident	86.9	Confident	121 Å²	121	58.1 Å²	58.1	57%	0.565	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-13.6	-174.7	-61.1	-177.5	169.9	0	0	113.6	S62 R195 K196 G197	S62-E65 PolarHBondContact OG-N 2.69Å; S62-E65 VanDerWaalsContact OG-N 3.1Å; E65-R195 CarbonylContact O-C 3.51Å; E65-K196 PolarHBondContact O-N 3.35Å; E65-K196 VanDerWaalsContact O-N 3.09Å; E65-G197 PolarHBondContact O-N 3.02Å
66	G	89.4	Confident	87	Confident	7 Å²	7	63.3 Å²	63.3	7%	0.072	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	68.4	-149	-176.6	0	0	0	0	0	113.6	S62 I194	S62-G66 PolarHBondContact N-O 3.03Å; S62-G66 WeakPolarHBondContact O-CA 3.39Å; S62-G66 PolarHBondContact O-N 2.96Å; G66-I194 WeakPolarHBondContact CA-O 3.24Å
67	L	91	Very high	87.2	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.016	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-79.8	152.7	178.8	-65.6	-173.6	0	0	0	112.3	T61 G69 L74 R195 K196 V208 G210 D211	T61-L67 HydrophobicContact CG2-CD2 4.23Å; T61-L67 WeakPolarHBondContact OG1-CD2 3.24Å; L67-G69 PolarHBondContact O-N 3.4Å; L67-L74 HydrophobicContact CD1-CD2 4.08Å; L67-R195 HydrophobicContact CB-CG 4.35Å; L67-R195 CarbonylContact O-C 3.58Å; L67-R195 VanDerWaalsContact O-CA 3.3Å; L67-R195 WeakPolarHBondContact O-CA 3.33Å; L67-K196 PolarHBondContact O-N 3.46Å; L67-V208 HydrophobicContact CD1-CG2 3.64Å; L67-G210 WeakPolarHBondContact CD2-O 3.44Å; L67-D211 VanDerWaalsContact CD1-OD1 3.26Å; L67-D211 WeakPolarHBondContact CD1-OD1 3.49Å
68	S	82.9	Confident	87.3	Confident	68 Å²	68	57.2 Å²	57.2	48%	0.476	31%	0.31	S	S	.	.			trans	-68.8	-14.9	175	66.7	0	0	0	0	113.4	N70 K196	S68-N70 PolarHBondContact O-N 2.82Å; S68-K196 WeakPolarHBondContact O-CE 3.41Å; S68-K196 WeakPolarHBondContact O-CG 3.34Å
69	G	79	Confident	87.4	Confident	24 Å²	24	58.3 Å²	58.3	25%	0.247	33%	0.332	C	S	.	.			trans	68	17.4	-179.7	0	0	0	0	0	114.8	L67	L67-G69 PolarHBondContact O-N 3.4Å
70	N	88.1	Confident	87.4	Confident	85 Å²	85	60.6 Å²	60.6	46%	0.455	35%	0.351	S	S	.	.			trans	-68.5	122.8	173.3	-178	-4.3	0	0	0	109.9	S68 A72 D73 L74	S68-N70 PolarHBondContact O-N 2.82Å; N70-A72 PolarHBondContact O-N 3.08Å; N70-A72 PolarHBondContact OD1-N 2.89Å; N70-D73 HydrophobicContact CB-CB 4.26Å; N70-D73 WeakPolarHBondContact O-CB 3.14Å; N70-D73 PolarHBondContact O-N 2.92Å; N70-L74 PolarHBondContact O-N 2.52Å; N70-L74 VanDerWaalsContact O-N 3.16Å
71	P	87.6	Confident	87.5	Confident	92 Å²	92	55.2 Å²	55.2	60%	0.597	33%	0.327	S	S	*	.	H	α-helix	trans	-57	-34.4	-178.5	20.7	-32.8	0	0	0	113.4	D73 L74 E75	P71-D73 VanDerWaalsContact C-N 3.32Å; P71-D73 PolarHBondContact O-N 3.26Å; P71-L74 PolarHBondContact O-N 2.84Å; P71-E75 PolarHBondContact O-N 2.92Å
72	A	87.5	Confident	87.4	Confident	51 Å²	51	55.9 Å²	55.9	42%	0.421	34%	0.336	S	S	.	.	H	α-helix	trans	-66.4	-32.6	177.2	0	0	0	0	0	112.8	N70 K76	N70-A72 PolarHBondContact O-N 3.08Å; N70-A72 PolarHBondContact OD1-N 2.89Å; A72-K76 WeakPolarHBondContact O-CG 3.35Å; A72-K76 PolarHBondContact O-N 2.88Å; A72-K76 VanDerWaalsContact O-N 3.16Å
73	D	88.1	Confident	87.5	Confident	33 Å²	33	60.5 Å²	60.5	18%	0.176	35%	0.351	C	S	.	.	H	α-helix	trans	-72.6	-40	175.2	-173.2	52.8	0	0	0	111.1	N70 P71 E75 K76 R77	N70-D73 HydrophobicContact CB-CB 4.26Å; N70-D73 WeakPolarHBondContact O-CB 3.14Å; N70-D73 PolarHBondContact O-N 2.92Å; P71-D73 VanDerWaalsContact C-N 3.32Å; P71-D73 PolarHBondContact O-N 3.26Å; D73-E75 PolarHBondContact O-N 3.47Å; D73-K76 WeakPolarHBondContact O-CB 3.25Å; D73-K76 PolarHBondContact O-N 2.92Å; D73-R77 WeakPolarHBondContact O-CG 3.25Å; D73-R77 PolarHBondContact O-N 2.88Å; D73-R77 IonicContact OD1-NE 3.72Å; D73-R77 IonicContact OD2-CZ 3.51Å; D73-R77 IonicContact OD2-NE 2.67Å; D73-R77 PolarHBondContact OD2-NE 2.85Å; D73-R77 IonicContact OD2-NH2 3.12Å; D73-R77 PolarHBondContact OD2-NH2 3.3Å
74	L	89	Confident	87.7	Confident	29 Å²	29	60.1 Å²	60.1	15%	0.152	35%	0.347	C	S	.	.	H	α-helix	trans	-62.4	-42.4	176.1	-60.8	177.6	0	0	0	111.5	L67 N70 P71 R77 H78 V208	L67-L74 HydrophobicContact CD1-CD2 4.08Å; N70-L74 PolarHBondContact O-N 2.52Å; N70-L74 VanDerWaalsContact O-N 3.16Å; P71-L74 PolarHBondContact O-N 2.84Å; L74-R77 PolarHBondContact O-N 3.28Å; L74-H78 PolarHBondContact O-CD2 3.12Å; L74-H78 VanDerWaalsContact O-CD2 3.26Å; L74-H78 PolarHBondContact O-N 2.8Å; L74-V208 HydrophobicContact CD2-CG1 4.49Å; L74-V208 HydrophobicContact CD2-CG2 3.68Å
75	E	87.4	Confident	87.8	Confident	143 Å²	143	59.1 Å²	59.1	67%	0.668	34%	0.338	S	S	*	.	H	α-helix	trans	-64.2	-40.7	174.8	-75.6	-172	167.2	0	0	112.7	P71 D73 R77 H78 A79	P71-E75 PolarHBondContact O-N 2.92Å; D73-E75 PolarHBondContact O-N 3.47Å; E75-R77 VanDerWaalsContact C-N 3.34Å; E75-R77 PolarHBondContact O-N 3.01Å; E75-H78 WeakPolarHBondContact O-CB 3.33Å; E75-H78 PolarHBondContact O-N 3.35Å; E75-A79 PolarHBondContact O-N 3.09Å
76	K	89.1	Confident	87.5	Confident	108 Å²	108	56.1 Å²	56.1	47%	0.47	33%	0.326	S	S	.	.	H	α-helix	trans	-59.8	-43.8	173.7	-78.1	179.2	172.9	-160.8	0	112	D22 A72 D73 H78 A79 A80	D22-K76 IonicContact OD2-NZ 2.88Å; D22-K76 PolarHBondContact OD2-NZ 3.42Å; A72-K76 WeakPolarHBondContact O-CG 3.35Å; A72-K76 PolarHBondContact O-N 2.88Å; A72-K76 VanDerWaalsContact O-N 3.16Å; D73-K76 WeakPolarHBondContact O-CB 3.25Å; D73-K76 PolarHBondContact O-N 2.92Å; K76-H78 VanDerWaalsContact C-N 3.33Å; K76-H78 PolarHBondContact O-N 3.47Å; K76-A79 PolarHBondContact O-N 2.73Å; K76-A80 WeakPolarHBondContact O-CB 3.36Å; K76-A80 PolarHBondContact O-N 3.07Å
77	R	91.1	Very high	86.6	Confident	1 Å²	1	59.2 Å²	59.2	0%	0.004	35%	0.345	C	S	.	.	H	α-helix	trans	-63.7	-39.3	176.1	-69.8	169.7	-174.6	-92.6	-8.6	111.6	F23 L59 D73 L74 E75 A79 A80 F81 V208 V209	F23-R77 HydrophobicContact CE1-CG 4.27Å; F23-R77 HydrophobicContact CE2-CG 4.44Å; F23-R77 HydrophobicContact CZ-CG 3.71Å; L59-R77 PolarHBondContact O-NH1 3.08Å; L59-R77 PolarHBondContact O-NH2 3.04Å; D73-R77 WeakPolarHBondContact O-CG 3.25Å; D73-R77 PolarHBondContact O-N 2.88Å; D73-R77 IonicContact OD1-NE 3.72Å; D73-R77 IonicContact OD2-CZ 3.51Å; D73-R77 IonicContact OD2-NE 2.67Å; D73-R77 PolarHBondContact OD2-NE 2.85Å; D73-R77 IonicContact OD2-NH2 3.12Å; D73-R77 PolarHBondContact OD2-NH2 3.3Å; L74-R77 PolarHBondContact O-N 3.28Å; E75-R77 VanDerWaalsContact C-N 3.34Å; E75-R77 PolarHBondContact O-N 3.01Å; R77-A79 VanDerWaalsContact C-N 3.31Å; R77-A79 PolarHBondContact O-N 2.86Å; R77-A80 PolarHBondContact O-N 2.76Å; R77-F81 HydrophobicContact CB-CD2 4.37Å; R77-F81 PolarHBondContact O-N 3.05Å; R77-V208 HydrophobicContact CB-CB 4.32Å; R77-V209 PolarHBondContact NH1-O 2.83Å
78	H	89.2	Confident	85.6	Confident	45 Å²	45	63 Å²	63	21%	0.208	37%	0.369	C	S	.	.	H	α-helix	trans	-61.3	-39.8	173.8	-76.2	-45.4	0	0	0	112.9	L74 E75 K76 G82 K83 V208	L74-H78 PolarHBondContact O-CD2 3.12Å; L74-H78 VanDerWaalsContact O-CD2 3.26Å; L74-H78 PolarHBondContact O-N 2.8Å; E75-H78 WeakPolarHBondContact O-CB 3.33Å; E75-H78 PolarHBondContact O-N 3.35Å; K76-H78 VanDerWaalsContact C-N 3.33Å; K76-H78 PolarHBondContact O-N 3.47Å; H78-G82 WeakPolarHBondContact CA-O 3.48Å; H78-G82 PolarHBondContact ND1-O 2.84Å; H78-G82 CarbonylContact O-C 3.08Å; H78-G82 VanDerWaalsContact O-CA 3.24Å; H78-G82 WeakPolarHBondContact O-CA 3.41Å; H78-G82 PolarHBondContact O-N 3.24Å; H78-K83 HydrophobicContact CB-CG 4.23Å; H78-V208 WeakPolarHBondContact CE1-CG1 3.3Å
79	A	87.9	Confident	84.8	Confident	92 Å²	92	67.6 Å²	67.6	76%	0.76	38%	0.381	S	S	*	.	H	α-helix	trans	-68.7	-38.5	176.1	0	0	0	0	0	112.3	E75 K76 R77	E75-A79 PolarHBondContact O-N 3.09Å; K76-A79 PolarHBondContact O-N 2.73Å; R77-A79 VanDerWaalsContact C-N 3.31Å; R77-A79 PolarHBondContact O-N 2.86Å
80	A	88.3	Confident	84.6	Confident	48 Å²	48	75.5 Å²	75.5	40%	0.397	41%	0.409	S	S	.	.	H	α-helix	trans	-80.7	-40.1	-176.4	0	0	0	0	0	114.1	F23 K76 R77	F23-A80 HydrophobicContact CD2-CB 4.15Å; F23-A80 HydrophobicContact CE2-CB 4.09Å; K76-A80 WeakPolarHBondContact O-CB 3.36Å; K76-A80 PolarHBondContact O-N 3.07Å; R77-A80 PolarHBondContact O-N 2.76Å
81	F	90.6	Very high	84	Confident	9 Å²	9	74.1 Å²	74.1	4%	0.039	40%	0.404	C	S	.	.	H	α-helix	trans	-120.1	-8.3	-169.5	-55.5	-72.4	0	0	0	114.2	F23 M27 L30 L59 R77 V209 N278	F23-F81 HydrophobicContact CB-CE2 4.47Å; F23-F81 HydrophobicContact CB-CZ 3.99Å; F23-F81 HydrophobicContact CD1-CE2 4.34Å; F23-F81 AromaticContact CD2-CE2 3.67Å; F23-F81 HydrophobicContact CD2-CE2 3.67Å; F23-F81 AromaticContact CD2-CZ 3.94Å; F23-F81 HydrophobicContact CD2-CZ 3.94Å; F23-F81 AromaticContact CE2-CE2 3.92Å; F23-F81 HydrophobicContact CE2-CE2 3.92Å; F23-F81 AromaticContact CG-CE2 3.91Å; F23-F81 HydrophobicContact CG-CE2 3.91Å; F23-F81 AromaticContact CG-CZ 3.93Å; F23-F81 HydrophobicContact CG-CZ 3.93Å; F23-F81 HydrophobicContact CZ-CE2 4.37Å; M27-F81 HydrophobicContact CB-CD1 3.84Å; M27-F81 HydrophobicContact CB-CE1 4.41Å; L30-F81 HydrophobicContact CD1-CD1 4.11Å; L30-F81 HydrophobicContact CD1-CE1 3.87Å; L59-F81 HydrophobicContact CD2-CE2 4.38Å; L59-F81 HydrophobicContact CD2-CZ 4.01Å; R77-F81 HydrophobicContact CB-CD2 4.37Å; R77-F81 PolarHBondContact O-N 3.05Å; F81-V209 HydrophobicContact CB-CB 3.86Å; F81-V209 HydrophobicContact CB-CG1 4.46Å; F81-V209 HydrophobicContact CB-CG2 3.61Å; F81-V209 HydrophobicContact CD1-CG1 4.22Å; F81-V209 HydrophobicContact CD2-CB 3.98Å; F81-V209 HydrophobicContact CD2-CG1 4.16Å; F81-V209 HydrophobicContact CE2-CG1 4.48Å; F81-V209 HydrophobicContact CG-CB 3.88Å; F81-V209 HydrophobicContact CG-CG1 4.03Å; F81-V209 HydrophobicContact CG-CG2 4.1Å; F81-N278 PolarHBondContact O-ND2 2.85Å
82	G	89.3	Confident	83.7	Confident	23 Å²	23	73.2 Å²	73.2	24%	0.237	39%	0.391	C	S	.	.			trans	96.2	-177.7	-179.4	0	0	0	0	0	114.7	H78	H78-G82 WeakPolarHBondContact CA-O 3.48Å; H78-G82 PolarHBondContact ND1-O 2.84Å; H78-G82 CarbonylContact O-C 3.08Å; H78-G82 VanDerWaalsContact O-CA 3.24Å; H78-G82 WeakPolarHBondContact O-CA 3.41Å; H78-G82 PolarHBondContact O-N 3.24Å
83	K	89.9	Confident	83.8	Confident	140 Å²	140	74.8 Å²	74.8	61%	0.609	40%	0.395	S	S	*	.			trans	-107.7	145.8	179.5	-64.1	-172.3	174.1	-173.8	0	110.2	H78 F85	H78-K83 HydrophobicContact CB-CG 4.23Å; K83-F85 PolarHBondContact O-N 2.87Å
84	N	89.7	Confident	83.8	Confident	16 Å²	16	76.7 Å²	76.7	9%	0.086	40%	0.402	C	S	.	.	S	Bend	trans	-77.3	60.7	174.7	-160.2	28.4	0	0	0	112	V204 A205 I207 P222 V275 G276	N84-V204 PolarHBondContact ND2-O 3.21Å; N84-A205 WeakPolarHBondContact O-CA 3.44Å; N84-I207 WeakPolarHBondContact CB-O 3Å; N84-P222 PolarHBondContact ND2-O 3.39Å; N84-P222 VanDerWaalsContact ND2-O 3.08Å; N84-P222 PolarHBondContact OD1-O 3.49Å; N84-V275 HydrophobicContact CB-CB 3.79Å; N84-V275 HydrophobicContact CB-CG1 4.21Å; N84-V275 HydrophobicContact CB-CG2 4.48Å; N84-G276 PolarHBondContact OD1-N 3.34Å
85	F	84.8	Confident	83.9	Confident	103 Å²	103	81.7 Å²	81.7	45%	0.452	43%	0.428	S	S	.	.			trans	-144.9	122.7	-177.6	-179.3	-107	0	0	0	109.8	K83 P87	K83-F85 PolarHBondContact O-N 2.87Å; F85-P87 HydrophobicContact CE1-CB 4.22Å
86	I	78.6	Confident	83.9	Confident	58 Å²	58	79.6 Å²	79.6	30%	0.297	42%	0.418	S	S	.	.			trans	-95.3	113.6	173.4	-60.5	171.2	0	0	0	106.6	L277 F285	I86-L277 HydrophobicContact CG2-CD2 4.23Å; I86-F285 HydrophobicContact CG2-CD1 3.74Å; I86-F285 HydrophobicContact CG2-CE1 4.13Å; I86-F285 HydrophobicContact CG2-CG 4.46Å
87	P	70	Confident	83.7	Confident	72 Å²	72	74.9 Å²	74.9	47%	0.468	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-64.2	126.8	-175.7	24.4	-32.4	0	0	0	110.7	F85 L277	F85-P87 HydrophobicContact CE1-CB 4.22Å; P87-L277 HydrophobicContact CG-CD1 4.49Å
88	P	70.2	Confident	83.5	Confident	83 Å²	83	75.9 Å²	75.9	54%	0.539	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-68	161.9	174.8	28.6	-34.5	0	0	0	111	K90	P88-K90 PolarHBondContact O-N 3.25Å
89	K	66.3	Low	83.5	Confident	164 Å²	164	81.9 Å²	81.9	71%	0.713	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-52.4	134.3	174.3	-166	167.4	-173.5	163.8	0	109.5	E292	K89-E292 IonicContact NZ-OE2 2.85Å; K89-E292 PolarHBondContact NZ-OE2 3.27Å
90	K	73.6	Confident	83.2	Confident	191 Å²	191	81.7 Å²	81.7	83%	0.83	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-58.8	135.1	-179.8	-69.2	-177.3	-179.1	179	0	109.3	P88	P88-K90 PolarHBondContact O-N 3.25Å
91	P	76	Confident	82.7	Confident	56 Å²	56	80.4 Å²	80.4	36%	0.364	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-62.6	151.3	177.4	29.4	-37	0	0	0	110.2
92	K	81.6	Confident	82.3	Confident	73 Å²	73	82.2 Å²	82.2	32%	0.317	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-63.4	140.9	171.7	-67.8	-178.5	179	-179.8	0	108.4	L97 E100	K92-L97 HydrophobicContact CB-CD2 4.12Å; K92-L97 HydrophobicContact CB-CG 4.13Å; K92-L97 HydrophobicContact CD-CD2 3.81Å; K92-E100 IonicContact NZ-OE1 2.67Å; K92-E100 PolarHBondContact NZ-OE1 2.9Å; K92-E100 IonicContact NZ-OE2 3.89Å; K92-E100 PolarHBondContact NZ-OE2 3.18Å
93	T	89.4	Confident	81.8	Confident	83 Å²	83	86.5 Å²	86.5	51%	0.509	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-76.7	156.2	174	66.3	0	0	0	0	109.4	L95 Q96 L97	T93-L95 PolarHBondContact O-N 3.16Å; T93-Q96 WeakPolarHBondContact O-CB 3.49Å; T93-Q96 PolarHBondContact O-N 3.48Å; T93-Q96 WeakPolarHBondContact OG1-CB 3.48Å; T93-Q96 PolarHBondContact OG1-N 3.04Å; T93-L97 PolarHBondContact O-N 2.98Å
94	F	88.6	Confident	81.1	Confident	73 Å²	73	82.7 Å²	82.7	32%	0.32	41%	0.408	S	S	.	.	H	α-helix	trans	-54	-41.2	175	177.9	-100.3	0	0	0	111.8	Q96 L97 V98 L165 A168 F169 W172	F94-Q96 VanDerWaalsContact C-N 3.31Å; F94-Q96 PolarHBondContact O-N 2.89Å; F94-L97 PolarHBondContact O-N 2.97Å; F94-V98 HydrophobicContact CD1-CG2 4.15Å; F94-V98 HydrophobicContact CE1-CG2 3.72Å; F94-V98 HydrophobicContact CE2-CG2 4.47Å; F94-V98 HydrophobicContact CZ-CG2 3.9Å; F94-V98 WeakPolarHBondContact O-CG2 3.47Å; F94-V98 PolarHBondContact O-N 3.23Å; F94-L165 HydrophobicContact CE1-CD2 4.2Å; F94-L165 HydrophobicContact CZ-CD2 4.11Å; F94-A168 HydrophobicContact CE2-CB 4.03Å; F94-A168 HydrophobicContact CZ-CB 4.37Å; F94-F169 HydrophobicContact CE2-CB 4.23Å; F94-W172 HydrophobicContact CD2-CB 4.12Å; F94-W172 HydrophobicContact CD2-CG 4.31Å
95	L	89.5	Confident	80.2	Confident	134 Å²	134	84.8 Å²	84.8	70%	0.702	42%	0.421	S	S	*	.	H	α-helix	trans	-64.2	-34.4	176.1	-70.8	175.7	0	0	0	113.3	T93 V98 W99	T93-L95 PolarHBondContact O-N 3.16Å; L95-V98 PolarHBondContact O-N 3.1Å; L95-W99 WeakPolarHBondContact O-CB 3.45Å; L95-W99 PolarHBondContact O-N 3.18Å
96	Q	88	Confident	79.5	Confident	99 Å²	99	81 Å²	81	46%	0.463	41%	0.406	S	S	.	.	H	α-helix	trans	-68.3	-38	175.5	-172.5	175.2	1.7	0	0	111.5	T93 F94 W99 E100	T93-Q96 WeakPolarHBondContact O-CB 3.49Å; T93-Q96 PolarHBondContact O-N 3.48Å; T93-Q96 WeakPolarHBondContact OG1-CB 3.48Å; T93-Q96 PolarHBondContact OG1-N 3.04Å; F94-Q96 VanDerWaalsContact C-N 3.31Å; F94-Q96 PolarHBondContact O-N 2.89Å; Q96-W99 PolarHBondContact O-N 3.2Å; Q96-E100 WeakPolarHBondContact O-CB 3.5Å; Q96-E100 PolarHBondContact O-N 2.87Å
97	L	84.6	Confident	79.3	Confident	9 Å²	9	78.7 Å²	78.7	5%	0.047	40%	0.395	C	S	.	.	H	α-helix	trans	-67.3	-39.5	174.1	-67.3	171.6	0	0	0	111.9	K92 T93 F94 W99 E100 A101 A168 D171 W172	K92-L97 HydrophobicContact CB-CD2 4.12Å; K92-L97 HydrophobicContact CB-CG 4.13Å; K92-L97 HydrophobicContact CD-CD2 3.81Å; T93-L97 PolarHBondContact O-N 2.98Å; F94-L97 PolarHBondContact O-N 2.97Å; L97-W99 VanDerWaalsContact C-N 3.32Å; L97-W99 PolarHBondContact O-N 3.36Å; L97-E100 PolarHBondContact O-N 2.83Å; L97-A101 WeakPolarHBondContact O-CB 3.42Å; L97-A101 PolarHBondContact O-N 3.39Å; L97-A168 HydrophobicContact CB-CB 4.28Å; L97-D171 HydrophobicContact CD1-CB 4.45Å; L97-D171 HydrophobicContact CD2-CB 4.46Å; L97-W172 HydrophobicContact CD1-CB 3.78Å
98	V	87.6	Confident	79.7	Confident	23 Å²	23	78 Å²	78	14%	0.139	39%	0.387	C	S	.	.	H	α-helix	trans	-59	-45	171.5	169.7	0	0	0	0	110.8	F94 L95 E100 A101 L102 V164 L165 A168	F94-V98 HydrophobicContact CD1-CG2 4.15Å; F94-V98 HydrophobicContact CE1-CG2 3.72Å; F94-V98 HydrophobicContact CE2-CG2 4.47Å; F94-V98 HydrophobicContact CZ-CG2 3.9Å; F94-V98 WeakPolarHBondContact O-CG2 3.47Å; F94-V98 PolarHBondContact O-N 3.23Å; L95-V98 PolarHBondContact O-N 3.1Å; V98-E100 PolarHBondContact O-N 3.32Å; V98-A101 PolarHBondContact O-N 2.95Å; V98-L102 HydrophobicContact CG1-CD1 4.31Å; V98-L102 WeakPolarHBondContact O-CG 3.47Å; V98-L102 PolarHBondContact O-N 3.41Å; V98-L102 VanDerWaalsContact O-N 3.09Å; V98-V164 HydrophobicContact CG1-CG1 3.92Å; V98-L165 HydrophobicContact CG2-CD2 4.17Å; V98-A168 HydrophobicContact CB-CB 4.33Å; V98-A168 HydrophobicContact CG2-CB 3.51Å
99	W	89.1	Confident	79.9	Confident	170 Å²	170	76.1 Å²	76.1	64%	0.644	37%	0.372	S	S	*	.	H	α-helix	trans	-64.4	-38.5	178	-176.8	-96.6	0	0	0	112.9	L95 Q96 L97 L102 Q103	L95-W99 WeakPolarHBondContact O-CB 3.45Å; L95-W99 PolarHBondContact O-N 3.18Å; Q96-W99 PolarHBondContact O-N 3.2Å; L97-W99 VanDerWaalsContact C-N 3.32Å; L97-W99 PolarHBondContact O-N 3.36Å; W99-L102 PolarHBondContact O-N 2.79Å; W99-Q103 VanDerWaalsContact NE1-NE2 3.15Å; W99-Q103 WeakPolarHBondContact O-CG 3.4Å; W99-Q103 PolarHBondContact O-N 2.9Å
100	E	80.8	Confident	80.2	Confident	89 Å²	89	68.5 Å²	68.5	42%	0.416	34%	0.339	S	S	.	.	H	α-helix	trans	-68.8	-40.4	177	-171.1	169.2	-170.2	0	0	111.8	K92 Q96 L97 V98 L102 Q103	K92-E100 IonicContact NZ-OE1 2.67Å; K92-E100 PolarHBondContact NZ-OE1 2.9Å; K92-E100 IonicContact NZ-OE2 3.89Å; K92-E100 PolarHBondContact NZ-OE2 3.18Å; Q96-E100 WeakPolarHBondContact O-CB 3.5Å; Q96-E100 PolarHBondContact O-N 2.87Å; L97-E100 PolarHBondContact O-N 2.83Å; V98-E100 PolarHBondContact O-N 3.32Å; E100-L102 VanDerWaalsContact C-N 3.3Å; E100-L102 PolarHBondContact O-N 3.45Å; E100-Q103 WeakPolarHBondContact O-CB 3.35Å; E100-Q103 PolarHBondContact O-N 3.19Å
101	A	77.8	Confident	80.5	Confident	20 Å²	20	61.8 Å²	61.8	17%	0.165	31%	0.31	C	S	.	.	H	α-helix	trans	-63.5	-33.8	174.3	0	0	0	0	0	112.6	L97 V98 Q103 D104 V164	L97-A101 WeakPolarHBondContact O-CB 3.42Å; L97-A101 PolarHBondContact O-N 3.39Å; V98-A101 PolarHBondContact O-N 2.95Å; A101-Q103 PolarHBondContact O-N 3.38Å; A101-D104 PolarHBondContact O-N 3.41Å; A101-V164 HydrophobicContact CB-CG1 4.03Å
102	L	82.6	Confident	80.8	Confident	47 Å²	47	63 Å²	63	25%	0.246	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.6	173.1	-74.9	167.3	0	0	0	114	V98 W99 E100 D104 I108 E111 V164	V98-L102 HydrophobicContact CG1-CD1 4.31Å; V98-L102 WeakPolarHBondContact O-CG 3.47Å; V98-L102 PolarHBondContact O-N 3.41Å; V98-L102 VanDerWaalsContact O-N 3.09Å; W99-L102 PolarHBondContact O-N 2.79Å; E100-L102 VanDerWaalsContact C-N 3.3Å; E100-L102 PolarHBondContact O-N 3.45Å; L102-D104 PolarHBondContact O-N 3.27Å; L102-I108 WeakPolarHBondContact O-CG1 3.33Å; L102-E111 VanDerWaalsContact CD2-OE1 3.23Å; L102-E111 WeakPolarHBondContact CD2-OE1 3.48Å; L102-V164 HydrophobicContact CD2-CB 4.49Å; L102-V164 HydrophobicContact CD2-CG1 4.16Å; L102-V164 HydrophobicContact CD2-CG2 3.81Å; L102-V164 HydrophobicContact CG-CG1 3.89Å; L102-V164 HydrophobicContact CG-CG2 4.29Å
103	Q	80.4	Confident	80.2	Confident	113 Å²	113	59.6 Å²	59.6	53%	0.528	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	1.4	179.3	-71.2	-178.4	-16.7	0	0	113.5	W99 E100 A101 V105	W99-Q103 VanDerWaalsContact NE1-NE2 3.15Å; W99-Q103 WeakPolarHBondContact O-CG 3.4Å; W99-Q103 PolarHBondContact O-N 2.9Å; E100-Q103 WeakPolarHBondContact O-CB 3.35Å; E100-Q103 PolarHBondContact O-N 3.19Å; A101-Q103 PolarHBondContact O-N 3.38Å; Q103-V105 PolarHBondContact O-N 3.43Å
104	D	74.8	Confident	79.6	Confident	61 Å²	61	55.7 Å²	55.7	33%	0.326	28%	0.275	S	S	.	.			trans	-63.3	127.4	172.7	-162.4	-49.4	0	0	0	110.6	A101 L102 T106 L107 I108	A101-D104 PolarHBondContact O-N 3.41Å; L102-D104 PolarHBondContact O-N 3.27Å; D104-T106 PolarHBondContact O-N 2.86Å; D104-T106 PolarHBondContact OD1-N 2.76Å; D104-T106 PolarHBondContact OD1-OG1 2.87Å; D104-L107 HydrophobicContact CB-CB 4.26Å; D104-L107 HydrophobicContact CB-CD1 4.11Å; D104-L107 HydrophobicContact CB-CG 4.13Å; D104-L107 PolarHBondContact O-N 3.37Å; D104-I108 VanDerWaalsContact O-CG1 3.25Å; D104-I108 WeakPolarHBondContact O-CG1 3.44Å; D104-I108 PolarHBondContact O-N 3.29Å
105	V	70.4	Confident	79.3	Confident	60 Å²	60	57 Å²	57	36%	0.364	28%	0.284	S	S	.	.	H	α-helix	trans	-61.1	-35.5	-177.6	-179.6	0	0	0	0	111.4	Q103 I109 Q1099	Q103-V105 PolarHBondContact O-N 3.43Å; V105-I109 HydrophobicContact CG1-CD1 3.98Å; V105-I109 WeakPolarHBondContact O-CD1 3.4Å; V105-I109 WeakPolarHBondContact O-CG1 3.27Å; V105-I109 PolarHBondContact O-N 3.36Å; V105-Q1099 HydrophobicContact CG2-CG 4.41Å
106	T	69.3	Low	78.7	Confident	22 Å²	22	54.5 Å²	54.5	14%	0.135	27%	0.27	C	S	.	.	H	α-helix	trans	-68.8	-45.4	-179.7	59.9	0	0	0	0	111.5	D104 I109 L110 E428	D104-T106 PolarHBondContact O-N 2.86Å; D104-T106 PolarHBondContact OD1-N 2.76Å; D104-T106 PolarHBondContact OD1-OG1 2.87Å; T106-I109 PolarHBondContact O-N 3.01Å; T106-L110 PolarHBondContact O-N 3.05Å; T106-E428 PolarHBondContact OG1-OE1 3.26Å
107	L	73.9	Confident	77.8	Confident	10 Å²	10	50.8 Å²	50.8	5%	0.052	26%	0.255	C	S	.	.	H	α-helix	trans	-64.5	-41.7	175.5	-64.8	-179.7	0	0	0	111.5	D104 I109 L110 E111 V160 V164	D104-L107 HydrophobicContact CB-CB 4.26Å; D104-L107 HydrophobicContact CB-CD1 4.11Å; D104-L107 HydrophobicContact CB-CG 4.13Å; D104-L107 PolarHBondContact O-N 3.37Å; L107-I109 VanDerWaalsContact C-N 3.34Å; L107-I109 PolarHBondContact O-N 2.86Å; L107-L110 WeakPolarHBondContact O-CB 3.42Å; L107-L110 PolarHBondContact O-N 2.98Å; L107-L110 VanDerWaalsContact O-N 3.15Å; L107-E111 WeakPolarHBondContact O-CG 3.38Å; L107-E111 PolarHBondContact O-N 3.02Å; L107-V160 HydrophobicContact CD2-CG1 4.42Å; L107-V164 HydrophobicContact CD1-CG2 3.91Å
108	I	79.7	Confident	77.5	Confident	58 Å²	58	52.2 Å²	52.2	30%	0.297	26%	0.263	S	S	.	.	H	α-helix	trans	-59.2	-44.8	175	-69.9	166.2	0	0	0	111.1	L102 D104 L110 E111 I112	L102-I108 WeakPolarHBondContact O-CG1 3.33Å; D104-I108 VanDerWaalsContact O-CG1 3.25Å; D104-I108 WeakPolarHBondContact O-CG1 3.44Å; D104-I108 PolarHBondContact O-N 3.29Å; I108-L110 VanDerWaalsContact C-N 3.29Å; I108-L110 PolarHBondContact O-N 2.99Å; I108-E111 PolarHBondContact O-N 3.24Å; I108-I112 HydrophobicContact CG2-CD1 3.84Å; I108-I112 HydrophobicContact CG2-CG1 4.47Å; I108-I112 VanDerWaalsContact O-CG1 3.3Å; I108-I112 WeakPolarHBondContact O-CG1 3.21Å; I108-I112 PolarHBondContact O-N 3.39Å
109	I	73.4	Confident	76.8	Confident	44 Å²	44	53.2 Å²	53.2	23%	0.226	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-41	177.8	-70.6	165.7	0	0	0	110.4	V105 T106 L107 I112 A113 V419	V105-I109 HydrophobicContact CG1-CD1 3.98Å; V105-I109 WeakPolarHBondContact O-CD1 3.4Å; V105-I109 WeakPolarHBondContact O-CG1 3.27Å; V105-I109 PolarHBondContact O-N 3.36Å; T106-I109 PolarHBondContact O-N 3.01Å; L107-I109 VanDerWaalsContact C-N 3.34Å; L107-I109 PolarHBondContact O-N 2.86Å; I109-I112 PolarHBondContact O-N 2.75Å; I109-A113 WeakPolarHBondContact O-CB 3.19Å; I109-A113 PolarHBondContact O-N 2.92Å; I109-V419 HydrophobicContact CG2-CG1 4Å; I109-V419 HydrophobicContact CG2-CG2 3.73Å
110	L	72.5	Confident	75.7	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-41.1	177.8	-173.6	65	0	0	0	112.2	T106 L107 I108 A113 A114 I156 V160 V419 L883	T106-L110 PolarHBondContact O-N 3.05Å; L107-L110 WeakPolarHBondContact O-CB 3.42Å; L107-L110 PolarHBondContact O-N 2.98Å; L107-L110 VanDerWaalsContact O-N 3.15Å; I108-L110 VanDerWaalsContact C-N 3.29Å; I108-L110 PolarHBondContact O-N 2.99Å; L110-A113 PolarHBondContact O-N 3.1Å; L110-A114 WeakPolarHBondContact O-CB 3.46Å; L110-A114 PolarHBondContact O-N 3.23Å; L110-I156 HydrophobicContact CD1-CG2 3.93Å; L110-I156 HydrophobicContact CD2-CG2 4.17Å; L110-I156 HydrophobicContact CG-CG2 3.77Å; L110-V160 HydrophobicContact CD2-CG2 3.67Å; L110-V160 HydrophobicContact CG-CG2 4.26Å; L110-V419 HydrophobicContact CB-CG1 4.23Å; L110-V419 HydrophobicContact CD1-CG1 3.97Å; L110-L883 HydrophobicContact CD2-CD1 4.16Å; L110-L883 HydrophobicContact CD2-CD2 3.89Å
111	E	81.2	Confident	75	Confident	49 Å²	49	44.1 Å²	44.1	23%	0.229	25%	0.246	C	C	.	.	H	α-helix	trans	-61.8	-45.7	174.5	-74.2	-178	-179.9	0	0	111.7	L102 L107 I108 A113 A114 I115 L157 V160	L102-E111 VanDerWaalsContact CD2-OE1 3.23Å; L102-E111 WeakPolarHBondContact CD2-OE1 3.48Å; L107-E111 WeakPolarHBondContact O-CG 3.38Å; L107-E111 PolarHBondContact O-N 3.02Å; I108-E111 PolarHBondContact O-N 3.24Å; E111-A113 VanDerWaalsContact C-N 3.34Å; E111-A113 PolarHBondContact O-N 2.75Å; E111-A114 PolarHBondContact O-N 3.39Å; E111-I115 VanDerWaalsContact O-CG1 3.25Å; E111-I115 WeakPolarHBondContact O-CG1 3.14Å; E111-I115 PolarHBondContact O-N 3.2Å; E111-L157 HydrophobicContact CB-CD2 4.4Å; E111-L157 HydrophobicContact CG-CD2 4.32Å; E111-V160 HydrophobicContact CG-CG1 4.05Å; E111-V160 WeakPolarHBondContact OE1-CG1 3.4Å
112	I	81.3	Confident	74.6	Confident	81 Å²	81	49.7 Å²	49.7	42%	0.415	27%	0.267	S	S	.	.	H	α-helix	trans	-60.4	-46.1	176.5	-68.3	167.7	0	0	0	110.2	I108 I109 A114 I115 I116	I108-I112 HydrophobicContact CG2-CD1 3.84Å; I108-I112 HydrophobicContact CG2-CG1 4.47Å; I108-I112 VanDerWaalsContact O-CG1 3.3Å; I108-I112 WeakPolarHBondContact O-CG1 3.21Å; I108-I112 PolarHBondContact O-N 3.39Å; I109-I112 PolarHBondContact O-N 2.75Å; I112-A114 VanDerWaalsContact C-N 3.33Å; I112-A114 PolarHBondContact O-N 2.83Å; I112-I115 PolarHBondContact O-N 2.93Å; I112-I116 HydrophobicContact CG2-CD1 3.78Å; I112-I116 HydrophobicContact CG2-CG1 4.47Å; I112-I116 VanDerWaalsContact O-CG1 3.27Å; I112-I116 WeakPolarHBondContact O-CG1 3.34Å; I112-I116 PolarHBondContact O-N 2.83Å
113	A	69.9	Low	73.8	Confident	3 Å²	3	54.3 Å²	54.3	3%	0.025	28%	0.282	C	S	.	.	H	α-helix	trans	-63.3	-38.8	178.3	0	0	0	0	0	112.1	I109 L110 E111 I116 S117 F415 I416	I109-A113 WeakPolarHBondContact O-CB 3.19Å; I109-A113 PolarHBondContact O-N 2.92Å; L110-A113 PolarHBondContact O-N 3.1Å; E111-A113 VanDerWaalsContact C-N 3.34Å; E111-A113 PolarHBondContact O-N 2.75Å; A113-I116 PolarHBondContact O-N 2.96Å; A113-S117 WeakPolarHBondContact O-CB 3.33Å; A113-S117 PolarHBondContact O-N 3.49Å; A113-F415 HydrophobicContact CB-CE1 4.47Å; A113-I416 HydrophobicContact CB-CG1 4.06Å
114	A	76.8	Confident	72.6	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-66.1	-41.4	176	0	0	0	0	0	112.2	L110 E111 I112 S117 L118 I156 L157	L110-A114 WeakPolarHBondContact O-CB 3.46Å; L110-A114 PolarHBondContact O-N 3.23Å; E111-A114 PolarHBondContact O-N 3.39Å; I112-A114 VanDerWaalsContact C-N 3.33Å; I112-A114 PolarHBondContact O-N 2.83Å; A114-S117 PolarHBondContact O-N 2.94Å; A114-L118 VanDerWaalsContact O-CB 3.29Å; A114-L118 WeakPolarHBondContact O-CB 3.42Å; A114-L118 PolarHBondContact O-N 3.5Å; A114-I156 HydrophobicContact CB-CB 3.94Å; A114-I156 HydrophobicContact CB-CG2 3.69Å; A114-L157 HydrophobicContact CB-CD2 4.06Å; A114-L157 HydrophobicContact CB-CG 3.88Å
115	I	82.9	Confident	71.6	Confident	99 Å²	99	55.3 Å²	55.3	51%	0.508	29%	0.289	S	S	.	.	H	α-helix	trans	-64.2	-42.4	175.2	-68.4	164.6	0	0	0	110.8	E111 I112 L118 G119 L157	E111-I115 VanDerWaalsContact O-CG1 3.25Å; E111-I115 WeakPolarHBondContact O-CG1 3.14Å; E111-I115 PolarHBondContact O-N 3.2Å; I112-I115 PolarHBondContact O-N 2.93Å; I115-L118 PolarHBondContact O-N 3.41Å; I115-G119 PolarHBondContact O-N 3.02Å; I115-L157 HydrophobicContact CG1-CD1 4.41Å; I115-L157 HydrophobicContact CG1-CD2 4.34Å
116	I	75.3	Confident	70.2	Confident	83 Å²	83	58.7 Å²	58.7	43%	0.426	31%	0.312	S	S	.	.	H	α-helix	trans	-63.8	-45.2	176.2	-68	167.5	0	0	0	110.4	I112 A113 L118 G119 L120 V412	I112-I116 HydrophobicContact CG2-CD1 3.78Å; I112-I116 HydrophobicContact CG2-CG1 4.47Å; I112-I116 VanDerWaalsContact O-CG1 3.27Å; I112-I116 WeakPolarHBondContact O-CG1 3.34Å; I112-I116 PolarHBondContact O-N 2.83Å; A113-I116 PolarHBondContact O-N 2.96Å; I116-L118 VanDerWaalsContact C-N 3.34Å; I116-L118 PolarHBondContact O-N 3.26Å; I116-G119 PolarHBondContact O-N 2.9Å; I116-L120 HydrophobicContact CG2-CD1 4.01Å; I116-L120 HydrophobicContact CG2-CG 4.46Å; I116-L120 WeakPolarHBondContact O-CG 3.21Å; I116-L120 PolarHBondContact O-N 3.15Å; I116-V412 HydrophobicContact CG2-CG1 4.1Å; I116-V412 HydrophobicContact CG2-CG2 4.04Å
117	S	70.5	Confident	69.2	Low	20 Å²	20	61.1 Å²	61.1	14%	0.14	34%	0.342	C	S	.	.	H	α-helix	trans	-58.1	-47	176.1	-170	0	0	0	0	111.6	A113 A114 L120 S121	A113-S117 WeakPolarHBondContact O-CB 3.33Å; A113-S117 PolarHBondContact O-N 3.49Å; A114-S117 PolarHBondContact O-N 2.94Å; S117-L120 PolarHBondContact O-N 3.39Å; S117-S121 PolarHBondContact O-N 3.04Å
118	L	77.1	Confident	67.8	Low	40 Å²	40	63.8 Å²	63.8	21%	0.209	37%	0.372	C	S	.	.	H	α-helix	trans	-62.5	-44.8	176.8	-174	67	0	0	0	111.6	A114 I115 I116 L120 S121 F122 W150 L157	A114-L118 VanDerWaalsContact O-CB 3.29Å; A114-L118 WeakPolarHBondContact O-CB 3.42Å; A114-L118 PolarHBondContact O-N 3.5Å; I115-L118 PolarHBondContact O-N 3.41Å; I116-L118 VanDerWaalsContact C-N 3.34Å; I116-L118 PolarHBondContact O-N 3.26Å; L118-L120 PolarHBondContact O-N 2.96Å; L118-S121 PolarHBondContact O-N 3.22Å; L118-S121 PolarHBondContact O-OG 3.23Å; L118-F122 HydrophobicContact CD1-CD2 4.44Å; L118-F122 HydrophobicContact CD1-CE2 3.58Å; L118-F122 HydrophobicContact CD1-CZ 4.1Å; L118-F122 HydrophobicContact CD2-CE2 4.46Å; L118-F122 HydrophobicContact CG-CD2 4.3Å; L118-F122 HydrophobicContact CG-CE2 3.71Å; L118-F122 WeakPolarHBondContact O-CD2 3.46Å; L118-F122 PolarHBondContact O-N 2.81Å; L118-W150 HydrophobicContact CD1-CB 3.77Å; L118-W150 WeakPolarHBondContact CD1-O 3.38Å; L118-L157 HydrophobicContact CD2-CD1 4.41Å
119	G	72.3	Confident	65.9	Low	44 Å²	44	68.4 Å²	68.4	45%	0.454	40%	0.397	S	S	.	.	H	α-helix	trans	-63	-40.2	178.3	0	0	0	0	0	113.3	I115 I116 S121 F122	I115-G119 PolarHBondContact O-N 3.02Å; I116-G119 PolarHBondContact O-N 2.9Å; G119-S121 VanDerWaalsContact C-N 3.34Å; G119-F122 PolarHBondContact O-N 3.31Å
120	L	66.2	Low	64.9	Low	47 Å²	47	70.5 Å²	70.5	25%	0.246	42%	0.421	C	S	.	.	H	α-helix	trans	-69.5	-31.2	175.6	-70.4	173.7	0	0	0	112.4	I116 S117 L118 F122 Y123 I408 V412	I116-L120 HydrophobicContact CG2-CD1 4.01Å; I116-L120 HydrophobicContact CG2-CG 4.46Å; I116-L120 WeakPolarHBondContact O-CG 3.21Å; I116-L120 PolarHBondContact O-N 3.15Å; S117-L120 PolarHBondContact O-N 3.39Å; L118-L120 PolarHBondContact O-N 2.96Å; L120-F122 PolarHBondContact O-N 2.83Å; L120-Y123 PolarHBondContact O-N 2.92Å; L120-I408 HydrophobicContact CD1-CG2 4.33Å; L120-V412 HydrophobicContact CD1-CB 4.11Å; L120-V412 HydrophobicContact CD1-CG1 4.27Å; L120-V412 HydrophobicContact CD1-CG2 3.65Å
121	S	66.5	Low	63.8	Low	21 Å²	21	78.8 Å²	78.8	15%	0.147	46%	0.46	C	S	.	.	H	α-helix	trans	-66.2	-23	176.5	77.8	0	0	0	0	113.8	S117 L118 G119 W150	S117-S121 PolarHBondContact O-N 3.04Å; L118-S121 PolarHBondContact O-N 3.22Å; L118-S121 PolarHBondContact O-OG 3.23Å; G119-S121 VanDerWaalsContact C-N 3.34Å; S121-W150 WeakPolarHBondContact OG-CA 3.26Å
122	F	70.3	Confident	62.3	Low	136 Å²	136	79.8 Å²	79.8	60%	0.596	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-5.4	177.3	-67.6	-58.9	0	0	0	113.8	L118 G119 L120 W150	L118-F122 HydrophobicContact CD1-CD2 4.44Å; L118-F122 HydrophobicContact CD1-CE2 3.58Å; L118-F122 HydrophobicContact CD1-CZ 4.1Å; L118-F122 HydrophobicContact CD2-CE2 4.46Å; L118-F122 HydrophobicContact CG-CD2 4.3Å; L118-F122 HydrophobicContact CG-CE2 3.71Å; L118-F122 WeakPolarHBondContact O-CD2 3.46Å; L118-F122 PolarHBondContact O-N 2.81Å; G119-F122 PolarHBondContact O-N 3.31Å; L120-F122 PolarHBondContact O-N 2.83Å; F122-W150 HydrophobicContact CE1-CB 4.08Å; F122-W150 HydrophobicContact CE2-CB 4.4Å; F122-W150 HydrophobicContact CZ-CB 3.75Å; F122-W150 HydrophobicContact CZ-CG 4.34Å
123	Y	65.3	Low	61	Low	144 Å²	144	77.9 Å²	77.9	57%	0.565	47%	0.47	S	S	*	.			trans	-96.9	99.7	-177.9	-173.8	-100.1	0	0	0	111.2	L120 P405	L120-Y123 PolarHBondContact O-N 2.92Å; Y123-P405 HydrophobicContact CE1-CG 4.37Å
124	H	55.3	Low	59.7	Low	139 Å²	139	79 Å²	79	64%	0.644	48%	0.482	S	S	*	.			trans	-100.1	116.6	170.8	-66.3	-64.8	0	0	0	110.3
125	P	53.2	Low	58.1	Low	56 Å²	56	86.8 Å²	86.8	36%	0.364	52%	0.518	S	S	.	.			trans	-66.4	135.3	177	25.1	-31	0	0	0	110.8	G127	P125-G127 PolarHBondContact O-N 2.89Å
126	P	40.5	Very low	56	Low	131 Å²	131	85.2 Å²	85.2	85%	0.851	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	112.6	177.7	27.7	-30.8	0	0	0	109.9
127	G	48.7	Very low	54	Low	73 Å²	73	84.9 Å²	84.9	75%	0.753	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	128.8	5.3	170.9	0	0	0	0	0	117.5	P125 N129	P125-G127 PolarHBondContact O-N 2.89Å; G127-N129 PolarHBondContact O-N 3.49Å
128	G	44.9	Very low	52	Low	67 Å²	67	87.4 Å²	87.4	69%	0.691	56%	0.559	S	S	*	*			trans	-75.3	78.5	-176	0	0	0	0	0	115.2	A130	G128-A130 PolarHBondContact O-N 3.07Å
129	N	40.9	Very low	49.5	Very low	155 Å²	155	88.5 Å²	88.5	83%	0.829	58%	0.579	S	S	*	*			trans	-69.1	114.6	156.6	-78.1	-9.9	0	0	0	108.1	G127 E131	G127-N129 PolarHBondContact O-N 3.49Å; N129-E131 PolarHBondContact O-N 3.19Å
130	A	51	Low	47.4	Very low	88 Å²	88	92.7 Å²	92.7	73%	0.727	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	11.9	-158.2	0	0	0	0	0	117.5	G128	G128-A130 PolarHBondContact O-N 3.07Å
131	E	49.1	Very low	45.9	Very low	178 Å²	178	99.4 Å²	99.4	83%	0.832	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-28.3	-175.7	-71	-175.3	154.2	0	0	114	N129	N129-E131 PolarHBondContact O-N 3.19Å
132	A	49.6	Very low	44.1	Very low	69 Å²	69	104.6 Å²	104.6	57%	0.57	65%	0.652	S	S	*	*	S	Bend	trans	-86.9	-31.2	-173.2	0	0	0	0	0	114.6	G134 M400	A132-G134 PolarHBondContact O-N 3.29Å; A132-M400 WeakPolarHBondContact O-CE 3.46Å
133	C	53.8	Low	42.3	Very low	41 Å²	41	107.2 Å²	107.2	28%	0.277	67%	0.666	S	S	.	*	S	Bend	trans	-75.2	1.5	175.1	-69	0	0	0	0	113.6	R397 C403 I406	C133-R397 PolarHBondContact O-NH1 3.08Å; C133-C403 WeakPolarHBondContact CA-SG 3.35Å; C133-C403 HydrophobicContact CB-CB 3.92Å; C133-C403 WeakPolarHBondContact CB-SG 3.5Å; C133-C403 WeakPolarHBondContact SG-CB 3.37Å; C133-C403 CovalentContact SG-SG 2.04Å; C133-C403 PolarHBondContact SG-SG 2.92Å; C133-I406 HydrophobicContact CB-CD1 4.42Å
134	G	44.1	Very low	41.1	Very low	27 Å²	27	102.1 Å²	102.1	28%	0.278	66%	0.657	S	S	.	*			trans	91.7	134.2	172.5	0	0	0	0	0	113.6	A132 A136	A132-G134 PolarHBondContact O-N 3.29Å; G134-A136 VanDerWaalsContact C-N 3.34Å; G134-A136 PolarHBondContact O-N 3.06Å
135	Q	43	Very low	40.4	Very low	164 Å²	164	100.6 Å²	100.6	77%	0.766	65%	0.651	S	S	*	*			trans	-59.4	95.7	159.5	-74	175.8	-15.5	0	0	108.9	A137	Q135-A137 PolarHBondContact O-N 3.35Å
136	A	37.8	Very low	39.9	Very low	66 Å²	66	101.6 Å²	101.6	55%	0.545	66%	0.663	S	S	.	*	S	Bend	trans	-83.9	82.1	150	0	0	0	0	0	106.1	G134	G134-A136 VanDerWaalsContact C-N 3.34Å; G134-A136 PolarHBondContact O-N 3.06Å
137	A	33.1	Very low	40.2	Very low	77 Å²	77	102 Å²	102	64%	0.636	65%	0.654	S	S	*	*			trans	42.7	77.5	175.8	0	0	0	0	0	115.6	Q135 G139	Q135-A137 PolarHBondContact O-N 3.35Å; A137-G139 PolarHBondContact O-N 3.31Å
138	G	29.7	Very low	40.4	Very low	73 Å²	73	99.7 Å²	99.7	75%	0.753	63%	0.627	S	S	*	*			trans	-73.3	116.5	169.5	0	0	0	0	0	111.6
139	G	24.2	Very low	41.1	Very low	62 Å²	62	96.9 Å²	96.9	64%	0.639	60%	0.599	S	S	*	*			trans	-98.4	136.1	151.2	0	0	0	0	0	108.3	A137	A137-G139 PolarHBondContact O-N 3.31Å
140	V	28.2	Very low	42.5	Very low	133 Å²	133	95.1 Å²	95.1	81%	0.806	58%	0.581	S	S	*	*			trans	-13.1	129.6	175.8	-169.3	0	0	0	0	116.9	D142	V140-D142 PolarHBondContact O-N 3.02Å
141	E	34.9	Very low	43.6	Very low	187 Å²	187	92.5 Å²	92.5	87%	0.874	55%	0.554	S	S	*	*			trans	-28.4	120.5	164.3	-62.3	173.5	153.2	0	0	114
142	D	29.2	Very low	44.6	Very low	131 Å²	131	87.1 Å²	87.1	70%	0.701	53%	0.529	S	S	*	.			trans	-144.7	125.3	153.9	-127.6	-13.1	0	0	0	110.2	V140 G144 E145	V140-D142 PolarHBondContact O-N 3.02Å; D142-G144 PolarHBondContact O-N 2.92Å; D142-E145 PolarHBondContact O-N 3.48Å
143	E	32.6	Very low	45.8	Very low	190 Å²	190	83.9 Å²	83.9	89%	0.888	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	2.3	-172	-65.3	-178.6	143.4	0	0	114.8
144	G	38.5	Very low	47.1	Very low	37 Å²	37	83.3 Å²	83.3	38%	0.381	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-10.3	177.9	0	0	0	0	0	115.9	D142	D142-G144 PolarHBondContact O-N 2.92Å
145	E	41.8	Very low	48.7	Very low	108 Å²	108	82.5 Å²	82.5	51%	0.505	49%	0.491	S	S	.	.	S	Bend	trans	-78.1	-30.9	-173.2	-67.8	-168.2	151.6	0	0	114	D142 Q147 A148	D142-E145 PolarHBondContact O-N 3.48Å; E145-Q147 PolarHBondContact O-N 3.18Å; E145-A148 PolarHBondContact O-N 2.96Å
146	A	42.9	Very low	50.3	Low	76 Å²	76	74.8 Å²	74.8	63%	0.628	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.4	174.7	0	0	0	0	0	113.1
147	Q	45.5	Very low	52.5	Low	141 Å²	141	73.8 Å²	73.8	66%	0.659	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-7.4	-178.2	-68.3	-176.2	2.3	0	0	114.1	E145 W150	E145-Q147 PolarHBondContact O-N 3.18Å; Q147-W150 VanDerWaalsContact O-CD1 3.22Å; Q147-W150 PolarHBondContact O-NE1 2.79Å
148	A	53.3	Low	55	Low	23 Å²	23	76.3 Å²	76.3	19%	0.19	44%	0.437	C	S	.	.	S	Bend	trans	-101.6	-16.7	-175.4	0	0	0	0	0	114.9	E145 W150 I151	E145-A148 PolarHBondContact O-N 2.96Å; A148-W150 PolarHBondContact O-N 2.86Å; A148-I151 HydrophobicContact CB-CD1 4.27Å; A148-I151 VanDerWaalsContact O-CB 3.31Å; A148-I151 WeakPolarHBondContact O-CB 3.43Å; A148-I151 PolarHBondContact O-N 3.31Å
149	G	59.1	Low	57.3	Low	9 Å²	9	73.5 Å²	73.5	9%	0.093	41%	0.406	C	S	.	.	H	α-helix	trans	-65.6	-34.6	-174.2	0	0	0	0	0	115	I151	G149-I151 VanDerWaalsContact C-N 3.26Å; G149-I151 PolarHBondContact O-N 3.49Å
150	W	72.1	Confident	60	Low	117 Å²	117	70.5 Å²	70.5	44%	0.443	38%	0.375	S	S	.	.	H	α-helix	trans	-72.1	-21.5	176.9	69.3	-89.5	0	0	0	112.9	L118 S121 F122 Q147 A148 E152 A154	L118-W150 HydrophobicContact CD1-CB 3.77Å; L118-W150 WeakPolarHBondContact CD1-O 3.38Å; S121-W150 WeakPolarHBondContact OG-CA 3.26Å; F122-W150 HydrophobicContact CE1-CB 4.08Å; F122-W150 HydrophobicContact CE2-CB 4.4Å; F122-W150 HydrophobicContact CZ-CB 3.75Å; F122-W150 HydrophobicContact CZ-CG 4.34Å; Q147-W150 VanDerWaalsContact O-CD1 3.22Å; Q147-W150 PolarHBondContact O-NE1 2.79Å; A148-W150 PolarHBondContact O-N 2.86Å; W150-E152 VanDerWaalsContact C-N 3.32Å; W150-E152 PolarHBondContact O-N 3.27Å; W150-A154 HydrophobicContact CE3-CB 3.75Å; W150-A154 HydrophobicContact CZ3-CB 3.88Å; W150-A154 VanDerWaalsContact O-CB 3.31Å; W150-A154 WeakPolarHBondContact O-CB 3.5Å; W150-A154 PolarHBondContact O-N 2.93Å
151	I	73.2	Confident	62.8	Low	33 Å²	33	68.4 Å²	68.4	17%	0.169	36%	0.359	C	S	.	.	H	α-helix	trans	-65.4	-36.9	-174.3	-57.8	178.8	0	0	0	110.5	A148 G149 A155 P1025	A148-I151 HydrophobicContact CB-CD1 4.27Å; A148-I151 VanDerWaalsContact O-CB 3.31Å; A148-I151 WeakPolarHBondContact O-CB 3.43Å; A148-I151 PolarHBondContact O-N 3.31Å; G149-I151 VanDerWaalsContact C-N 3.26Å; G149-I151 PolarHBondContact O-N 3.49Å; I151-A155 WeakPolarHBondContact O-CB 3.35Å; I151-A155 PolarHBondContact O-N 2.85Å; I151-P1025 HydrophobicContact CG2-CB 4.49Å; I151-P1025 HydrophobicContact CG2-CG 4.29Å
152	E	69.6	Low	65.1	Low	66 Å²	66	62.7 Å²	62.7	31%	0.308	33%	0.333	S	S	.	.	H	α-helix	trans	-65.2	-50.1	-179.4	-172.9	173.8	-170.2	0	0	111.7	W150 A155 I156	W150-E152 VanDerWaalsContact C-N 3.32Å; W150-E152 PolarHBondContact O-N 3.27Å; E152-A155 PolarHBondContact O-N 2.89Å; E152-I156 WeakPolarHBondContact O-CG1 3.08Å; E152-I156 PolarHBondContact O-N 2.76Å; E152-I156 VanDerWaalsContact O-N 3.1Å
153	G	74.4	Confident	67.4	Low	0 Å²	0	57 Å²	57	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.9	-41	176.3	0	0	0	0	0	112.9	I156 L157	G153-I156 PolarHBondContact O-N 3Å; G153-L157 PolarHBondContact O-N 3.11Å
154	A	81.9	Confident	69.8	Low	29 Å²	29	48.1 Å²	48.1	24%	0.24	26%	0.262	C	S	.	.	H	α-helix	trans	-67.4	-37.9	176.8	0	0	0	0	0	112.8	W150 L157 F158	W150-A154 HydrophobicContact CE3-CB 3.75Å; W150-A154 HydrophobicContact CZ3-CB 3.88Å; W150-A154 VanDerWaalsContact O-CB 3.31Å; W150-A154 WeakPolarHBondContact O-CB 3.5Å; W150-A154 PolarHBondContact O-N 2.93Å; A154-L157 PolarHBondContact O-N 3.36Å; A154-F158 WeakPolarHBondContact O-CB 3.26Å; A154-F158 PolarHBondContact O-N 3.35Å
155	A	77	Confident	72	Confident	11 Å²	11	50 Å²	50	9%	0.091	26%	0.263	C	S	.	.	H	α-helix	trans	-67.8	-35.8	177.6	0	0	0	0	0	111.9	I151 E152 S159 V880	I151-A155 WeakPolarHBondContact O-CB 3.35Å; I151-A155 PolarHBondContact O-N 2.85Å; E152-A155 PolarHBondContact O-N 2.89Å; A155-S159 VanDerWaalsContact O-CB 3.26Å; A155-S159 WeakPolarHBondContact O-CB 3.11Å; A155-S159 PolarHBondContact O-N 3.06Å; A155-S159 PolarHBondContact O-OG 3.38Å; A155-V880 HydrophobicContact CB-CG2 3.64Å
156	I	78	Confident	73.8	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-50	172.7	-65.4	166.1	0	0	0	110.3	L110 A114 E152 G153 F158 S159 V160 I416 A879 V880	L110-I156 HydrophobicContact CD1-CG2 3.93Å; L110-I156 HydrophobicContact CD2-CG2 4.17Å; L110-I156 HydrophobicContact CG-CG2 3.77Å; A114-I156 HydrophobicContact CB-CB 3.94Å; A114-I156 HydrophobicContact CB-CG2 3.69Å; E152-I156 WeakPolarHBondContact O-CG1 3.08Å; E152-I156 PolarHBondContact O-N 2.76Å; E152-I156 VanDerWaalsContact O-N 3.1Å; G153-I156 PolarHBondContact O-N 3Å; I156-F158 PolarHBondContact O-N 3.48Å; I156-S159 PolarHBondContact O-N 3.16Å; I156-V160 HydrophobicContact CG2-CG2 4.47Å; I156-V160 WeakPolarHBondContact O-CG2 3.33Å; I156-V160 PolarHBondContact O-N 3.43Å; I156-I416 HydrophobicContact CD1-CG2 4.42Å; I156-A879 HydrophobicContact CD1-CB 4.05Å; I156-A879 HydrophobicContact CG1-CB 4.18Å; I156-V880 HydrophobicContact CG1-CG2 4.27Å
157	L	84.4	Confident	75.1	Confident	46 Å²	46	45 Å²	45	24%	0.241	23%	0.232	C	C	.	.	H	α-helix	trans	-58.8	-45.1	178	-74	171.4	0	0	0	112.2	E111 A114 I115 L118 G153 A154 S159 V160 I161	E111-L157 HydrophobicContact CB-CD2 4.4Å; E111-L157 HydrophobicContact CG-CD2 4.32Å; A114-L157 HydrophobicContact CB-CD2 4.06Å; A114-L157 HydrophobicContact CB-CG 3.88Å; I115-L157 HydrophobicContact CG1-CD1 4.41Å; I115-L157 HydrophobicContact CG1-CD2 4.34Å; L118-L157 HydrophobicContact CD2-CD1 4.41Å; G153-L157 PolarHBondContact O-N 3.11Å; A154-L157 PolarHBondContact O-N 3.36Å; L157-S159 VanDerWaalsContact C-N 3.33Å; L157-S159 PolarHBondContact O-N 3.32Å; L157-V160 PolarHBondContact O-N 2.89Å; L157-I161 WeakPolarHBondContact O-CG1 3.07Å; L157-I161 PolarHBondContact O-N 3.38Å; L157-I161 VanDerWaalsContact O-N 3.1Å
158	F	84.4	Confident	76.9	Confident	129 Å²	129	38.2 Å²	38.2	57%	0.566	20%	0.2	S	C	*	.	H	α-helix	trans	-64.3	-38.7	177.6	-174.9	-108.6	0	0	0	112.3	A154 I156 I161 I162	A154-F158 WeakPolarHBondContact O-CB 3.26Å; A154-F158 PolarHBondContact O-N 3.35Å; I156-F158 PolarHBondContact O-N 3.48Å; F158-I161 PolarHBondContact O-N 3.25Å; F158-I162 HydrophobicContact CD1-CD1 3.85Å; F158-I162 HydrophobicContact CE1-CD1 3.4Å; F158-I162 VanDerWaalsContact CE1-CD1 3.4Å; F158-I162 HydrophobicContact CE1-CG1 4.31Å; F158-I162 HydrophobicContact CZ-CD1 3.89Å; F158-I162 HydrophobicContact CZ-CG1 4.43Å; F158-I162 PolarHBondContact O-N 2.92Å; F158-I162 VanDerWaalsContact O-N 3.1Å
159	S	77.5	Confident	78.3	Confident	14 Å²	14	42.8 Å²	42.8	10%	0.098	22%	0.216	C	C	.	.	H	α-helix	trans	-66	-42.4	177	-59.9	0	0	0	0	111.8	A155 I156 L157 I161 I162 V163	A155-S159 VanDerWaalsContact O-CB 3.26Å; A155-S159 WeakPolarHBondContact O-CB 3.11Å; A155-S159 PolarHBondContact O-N 3.06Å; A155-S159 PolarHBondContact O-OG 3.38Å; I156-S159 PolarHBondContact O-N 3.16Å; L157-S159 VanDerWaalsContact C-N 3.33Å; L157-S159 PolarHBondContact O-N 3.32Å; S159-I161 VanDerWaalsContact C-N 3.31Å; S159-I161 PolarHBondContact O-N 2.92Å; S159-I162 PolarHBondContact O-N 3.47Å; S159-V163 WeakPolarHBondContact O-CG2 3.42Å; S159-V163 PolarHBondContact O-N 2.71Å
160	V	82	Confident	78.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-43.4	174.7	172	0	0	0	0	110.8	L107 L110 E111 I156 L157 I162 V163 V164	L107-V160 HydrophobicContact CD2-CG1 4.42Å; L110-V160 HydrophobicContact CD2-CG2 3.67Å; L110-V160 HydrophobicContact CG-CG2 4.26Å; E111-V160 HydrophobicContact CG-CG1 4.05Å; E111-V160 WeakPolarHBondContact OE1-CG1 3.4Å; I156-V160 HydrophobicContact CG2-CG2 4.47Å; I156-V160 WeakPolarHBondContact O-CG2 3.33Å; I156-V160 PolarHBondContact O-N 3.43Å; L157-V160 PolarHBondContact O-N 2.89Å; V160-I162 VanDerWaalsContact C-N 3.34Å; V160-I162 PolarHBondContact O-N 3.12Å; V160-V163 PolarHBondContact O-N 2.65Å; V160-V164 HydrophobicContact CG1-CG2 4.21Å; V160-V164 WeakPolarHBondContact O-CB 3.23Å; V160-V164 VanDerWaalsContact O-CG2 3.27Å; V160-V164 WeakPolarHBondContact O-CG2 3.46Å; V160-V164 PolarHBondContact O-N 2.6Å
161	I	85.9	Confident	78.8	Confident	89 Å²	89	39.9 Å²	39.9	46%	0.456	21%	0.207	S	C	.	.	H	α-helix	trans	-58.6	-45.3	175.6	-68.8	166.3	0	0	0	111.3	L157 F158 S159 V164 L165	L157-I161 WeakPolarHBondContact O-CG1 3.07Å; L157-I161 PolarHBondContact O-N 3.38Å; L157-I161 VanDerWaalsContact O-N 3.1Å; F158-I161 PolarHBondContact O-N 3.25Å; S159-I161 VanDerWaalsContact C-N 3.31Å; S159-I161 PolarHBondContact O-N 2.92Å; I161-V164 PolarHBondContact O-N 3.1Å; I161-L165 HydrophobicContact CG2-CD1 3.89Å; I161-L165 HydrophobicContact CG2-CG 4.36Å; I161-L165 WeakPolarHBondContact O-CB 3.49Å; I161-L165 VanDerWaalsContact O-CG 3.24Å; I161-L165 WeakPolarHBondContact O-CG 3.46Å; I161-L165 PolarHBondContact O-N 2.84Å
162	I	83	Confident	79.2	Confident	66 Å²	66	42.8 Å²	42.8	34%	0.338	22%	0.216	S	C	.	.	H	α-helix	trans	-61.5	-48.4	177.7	-69.8	171.7	0	0	0	110.6	F158 S159 V160 V164 L165 V166	F158-I162 HydrophobicContact CD1-CD1 3.85Å; F158-I162 HydrophobicContact CE1-CD1 3.4Å; F158-I162 VanDerWaalsContact CE1-CD1 3.4Å; F158-I162 HydrophobicContact CE1-CG1 4.31Å; F158-I162 HydrophobicContact CZ-CD1 3.89Å; F158-I162 HydrophobicContact CZ-CG1 4.43Å; F158-I162 PolarHBondContact O-N 2.92Å; F158-I162 VanDerWaalsContact O-N 3.1Å; S159-I162 PolarHBondContact O-N 3.47Å; V160-I162 VanDerWaalsContact C-N 3.34Å; V160-I162 PolarHBondContact O-N 3.12Å; I162-V164 PolarHBondContact O-N 3.41Å; I162-L165 PolarHBondContact O-N 2.85Å; I162-V166 HydrophobicContact CG2-CG2 4.33Å; I162-V166 WeakPolarHBondContact O-CG2 3.39Å; I162-V166 PolarHBondContact O-N 2.89Å
163	V	77.4	Confident	79.4	Confident	12 Å²	12	41 Å²	41	7%	0.073	21%	0.211	C	C	.	.	H	α-helix	trans	-57.2	-50.9	179.4	170.7	0	0	0	0	110.2	S159 V160 L165 V166 T167	S159-V163 WeakPolarHBondContact O-CG2 3.42Å; S159-V163 PolarHBondContact O-N 2.71Å; V160-V163 PolarHBondContact O-N 2.65Å; V163-L165 VanDerWaalsContact C-N 3.34Å; V163-L165 PolarHBondContact O-N 2.76Å; V163-V166 PolarHBondContact O-N 2.95Å; V163-T167 WeakPolarHBondContact O-CB 3.47Å; V163-T167 PolarHBondContact O-N 3.15Å; V163-T167 PolarHBondContact O-OG1 3.21Å
164	V	83.6	Confident	79.2	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.024	22%	0.221	C	C	.	.	H	α-helix	trans	-58.5	-43.3	178.1	167.1	0	0	0	0	111.9	V98 A101 L102 L107 V160 I161 I162 T167 A168	V98-V164 HydrophobicContact CG1-CG1 3.92Å; A101-V164 HydrophobicContact CB-CG1 4.03Å; L102-V164 HydrophobicContact CD2-CB 4.49Å; L102-V164 HydrophobicContact CD2-CG1 4.16Å; L102-V164 HydrophobicContact CD2-CG2 3.81Å; L102-V164 HydrophobicContact CG-CG1 3.89Å; L102-V164 HydrophobicContact CG-CG2 4.29Å; L107-V164 HydrophobicContact CD1-CG2 3.91Å; V160-V164 HydrophobicContact CG1-CG2 4.21Å; V160-V164 WeakPolarHBondContact O-CB 3.23Å; V160-V164 VanDerWaalsContact O-CG2 3.27Å; V160-V164 WeakPolarHBondContact O-CG2 3.46Å; V160-V164 PolarHBondContact O-N 2.6Å; I161-V164 PolarHBondContact O-N 3.1Å; I162-V164 PolarHBondContact O-N 3.41Å; V164-T167 PolarHBondContact O-N 3.45Å; V164-A168 VanDerWaalsContact O-CB 3.24Å; V164-A168 WeakPolarHBondContact O-CB 3.44Å; V164-A168 PolarHBondContact O-N 3.41Å
165	L	85.6	Confident	78.8	Confident	75 Å²	75	44.2 Å²	44.2	39%	0.393	22%	0.22	S	C	.	.	H	α-helix	trans	-64.8	-41.3	178.3	-75.3	173.7	0	0	0	112	F94 V98 I161 I162 V163 F169	F94-L165 HydrophobicContact CE1-CD2 4.2Å; F94-L165 HydrophobicContact CZ-CD2 4.11Å; V98-L165 HydrophobicContact CG2-CD2 4.17Å; I161-L165 HydrophobicContact CG2-CD1 3.89Å; I161-L165 HydrophobicContact CG2-CG 4.36Å; I161-L165 WeakPolarHBondContact O-CB 3.49Å; I161-L165 VanDerWaalsContact O-CG 3.24Å; I161-L165 WeakPolarHBondContact O-CG 3.46Å; I161-L165 PolarHBondContact O-N 2.84Å; I162-L165 PolarHBondContact O-N 2.85Å; V163-L165 VanDerWaalsContact C-N 3.34Å; V163-L165 PolarHBondContact O-N 2.76Å; L165-F169 VanDerWaalsContact O-CB 3.29Å; L165-F169 WeakPolarHBondContact O-CB 3.19Å; L165-F169 PolarHBondContact O-N 3.38Å
166	V	78.1	Confident	78.8	Confident	48 Å²	48	49.5 Å²	49.5	29%	0.291	24%	0.241	S	C	.	.	H	α-helix	trans	-66.6	-44.6	177	174.7	0	0	0	0	110.5	I162 V163 F169 N170 L887 T891	I162-V166 HydrophobicContact CG2-CG2 4.33Å; I162-V166 WeakPolarHBondContact O-CG2 3.39Å; I162-V166 PolarHBondContact O-N 2.89Å; V163-V166 PolarHBondContact O-N 2.95Å; V166-F169 PolarHBondContact O-N 2.93Å; V166-N170 PolarHBondContact O-N 3.45Å; V166-L887 HydrophobicContact CB-CD1 4.21Å; V166-L887 HydrophobicContact CG1-CD1 3.96Å; V166-T891 HydrophobicContact CG1-CG2 3.99Å
167	T	71.8	Confident	78.4	Confident	31 Å²	31	52.9 Å²	52.9	19%	0.19	26%	0.257	C	S	.	.	H	α-helix	trans	-59.6	-49.5	175.9	-58.8	0	0	0	0	111.1	V163 V164 F169 N170 D171	V163-T167 WeakPolarHBondContact O-CB 3.47Å; V163-T167 PolarHBondContact O-N 3.15Å; V163-T167 PolarHBondContact O-OG1 3.21Å; V164-T167 PolarHBondContact O-N 3.45Å; T167-F169 VanDerWaalsContact C-N 3.32Å; T167-F169 PolarHBondContact O-N 2.69Å; T167-N170 WeakPolarHBondContact O-CB 3.32Å; T167-N170 PolarHBondContact O-N 2.82Å; T167-N170 VanDerWaalsContact O-N 3.14Å; T167-D171 PolarHBondContact O-N 3.26Å
168	A	83.2	Confident	77.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.2	-36.1	178	0	0	0	0	0	112.7	F94 L97 V98 V164 N170 W172	F94-A168 HydrophobicContact CE2-CB 4.03Å; F94-A168 HydrophobicContact CZ-CB 4.37Å; L97-A168 HydrophobicContact CB-CB 4.28Å; V98-A168 HydrophobicContact CB-CB 4.33Å; V98-A168 HydrophobicContact CG2-CB 3.51Å; V164-A168 VanDerWaalsContact O-CB 3.24Å; V164-A168 WeakPolarHBondContact O-CB 3.44Å; V164-A168 PolarHBondContact O-N 3.41Å; A168-N170 VanDerWaalsContact C-N 3.34Å; A168-W172 VanDerWaalsContact O-CB 3.24Å; A168-W172 WeakPolarHBondContact O-CB 3.34Å; A168-W172 PolarHBondContact O-N 2.92Å
169	F	82.3	Confident	77	Confident	119 Å²	119	54.1 Å²	54.1	52%	0.522	26%	0.256	S	S	.	.	H	α-helix	trans	-65.9	-38.1	175	179.5	-97.1	0	0	0	112.1	F94 L165 V166 T167 W172 S173	F94-F169 HydrophobicContact CE2-CB 4.23Å; L165-F169 VanDerWaalsContact O-CB 3.29Å; L165-F169 WeakPolarHBondContact O-CB 3.19Å; L165-F169 PolarHBondContact O-N 3.38Å; V166-F169 PolarHBondContact O-N 2.93Å; T167-F169 VanDerWaalsContact C-N 3.32Å; T167-F169 PolarHBondContact O-N 2.69Å; F169-W172 HydrophobicContact CE2-CE3 4.38Å; F169-W172 HydrophobicContact CE2-CZ3 4.37Å; F169-S173 VanDerWaalsContact O-CB 3.31Å; F169-S173 WeakPolarHBondContact O-CB 3.44Å; F169-S173 PolarHBondContact O-N 3.23Å; F169-S173 PolarHBondContact O-OG 2.73Å
170	N	68.9	Low	76.7	Confident	21 Å²	21	55.4 Å²	55.4	11%	0.112	27%	0.272	C	S	.	.	H	α-helix	trans	-65.6	-48.8	176	-161.6	-10.1	0	0	0	111	V166 T167 A168 W172 S173 K174 I436 T891	V166-N170 PolarHBondContact O-N 3.45Å; T167-N170 WeakPolarHBondContact O-CB 3.32Å; T167-N170 PolarHBondContact O-N 2.82Å; T167-N170 VanDerWaalsContact O-N 3.14Å; A168-N170 VanDerWaalsContact C-N 3.34Å; N170-W172 VanDerWaalsContact C-N 3.34Å; N170-W172 PolarHBondContact O-N 2.94Å; N170-S173 WeakPolarHBondContact O-CB 3.43Å; N170-S173 PolarHBondContact O-N 2.97Å; N170-K174 WeakPolarHBondContact O-CB 3.41Å; N170-K174 PolarHBondContact O-N 3.08Å; N170-I436 VanDerWaalsContact ND2-CD1 3.29Å; N170-I436 WeakPolarHBondContact ND2-CD1 3.47Å; N170-I436 WeakPolarHBondContact OD1-CD1 3.34Å; N170-T891 WeakPolarHBondContact ND2-CG2 3.44Å
171	D	72.4	Confident	76	Confident	43 Å²	43	56.2 Å²	56.2	23%	0.23	28%	0.276	C	S	.	.	H	α-helix	trans	-64.1	-37.4	177.2	-86.5	-30.9	0	0	0	113	L97 T167 K174 E175	L97-D171 HydrophobicContact CD1-CB 4.45Å; L97-D171 HydrophobicContact CD2-CB 4.46Å; T167-D171 PolarHBondContact O-N 3.26Å; D171-K174 WeakPolarHBondContact O-CB 3.43Å; D171-K174 PolarHBondContact O-N 3.46Å; D171-K174 IonicContact OD1-NZ 3.31Å; D171-K174 PolarHBondContact OD1-NZ 2.87Å; D171-E175 PolarHBondContact O-N 3.25Å
172	W	82.9	Confident	75.2	Confident	94 Å²	94	56.7 Å²	56.7	36%	0.356	28%	0.276	S	S	.	.	H	α-helix	trans	-64.1	-43.7	173.2	178.3	79.6	0	0	0	111.9	F94 L97 A168 F169 N170 K174 E175 K176	F94-W172 HydrophobicContact CD2-CB 4.12Å; F94-W172 HydrophobicContact CD2-CG 4.31Å; L97-W172 HydrophobicContact CD1-CB 3.78Å; A168-W172 VanDerWaalsContact O-CB 3.24Å; A168-W172 WeakPolarHBondContact O-CB 3.34Å; A168-W172 PolarHBondContact O-N 2.92Å; F169-W172 HydrophobicContact CE2-CE3 4.38Å; F169-W172 HydrophobicContact CE2-CZ3 4.37Å; N170-W172 VanDerWaalsContact C-N 3.34Å; N170-W172 PolarHBondContact O-N 2.94Å; W172-K174 VanDerWaalsContact C-N 3.27Å; W172-K174 PolarHBondContact O-N 3.34Å; W172-E175 PolarHBondContact O-N 3.12Å; W172-K176 HydrophobicContact CH2-CD 3.89Å; W172-K176 HydrophobicContact CZ2-CD 4.25Å; W172-K176 HydrophobicContact CZ3-CD 4.17Å; W172-K176 WeakPolarHBondContact O-CB 3.31Å; W172-K176 PolarHBondContact O-N 2.97Å
173	S	73.1	Confident	74.8	Confident	30 Å²	30	56.1 Å²	56.1	21%	0.21	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-38.9	176.4	-66	0	0	0	0	111.3	F169 N170 K176 Q177	F169-S173 VanDerWaalsContact O-CB 3.31Å; F169-S173 WeakPolarHBondContact O-CB 3.44Å; F169-S173 PolarHBondContact O-N 3.23Å; F169-S173 PolarHBondContact O-OG 2.73Å; N170-S173 WeakPolarHBondContact O-CB 3.43Å; N170-S173 PolarHBondContact O-N 2.97Å; S173-K176 PolarHBondContact O-N 3.48Å; S173-Q177 WeakPolarHBondContact O-CG 3.23Å; S173-Q177 PolarHBondContact O-N 3.38Å
174	K	69.4	Low	74.4	Confident	48 Å²	48	62.3 Å²	62.3	21%	0.209	30%	0.3	C	S	.	.	H	α-helix	trans	-62.4	-52.1	173	165.6	-176.4	146.6	-175.3	0	112	N170 D171 W172 K176 Q177 F178 T435	N170-K174 WeakPolarHBondContact O-CB 3.41Å; N170-K174 PolarHBondContact O-N 3.08Å; D171-K174 WeakPolarHBondContact O-CB 3.43Å; D171-K174 PolarHBondContact O-N 3.46Å; D171-K174 IonicContact OD1-NZ 3.31Å; D171-K174 PolarHBondContact OD1-NZ 2.87Å; W172-K174 VanDerWaalsContact C-N 3.27Å; W172-K174 PolarHBondContact O-N 3.34Å; K174-K176 VanDerWaalsContact C-N 3.27Å; K174-K176 PolarHBondContact O-N 2.82Å; K174-Q177 PolarHBondContact O-N 3.47Å; K174-Q177 VanDerWaalsContact O-N 3.11Å; K174-F178 HydrophobicContact CD-CE2 4.25Å; K174-F178 HydrophobicContact CG-CD2 3.86Å; K174-F178 HydrophobicContact CG-CE2 3.48Å; K174-F178 VanDerWaalsContact CG-CE2 3.48Å; K174-F178 WeakPolarHBondContact O-CD2 3.26Å; K174-F178 PolarHBondContact O-N 2.98Å; K174-T435 HydrophobicContact CD-CG2 3.57Å; K174-T435 HydrophobicContact CG-CG2 4.2Å
175	E	73.3	Confident	73.7	Confident	48 Å²	48	63.4 Å²	63.4	22%	0.224	31%	0.306	C	S	.	.	H	α-helix	trans	-58.5	-40.3	176.2	-78.3	-164.6	176.5	0	0	112	D171 W172 Q177 F178 R179	D171-E175 PolarHBondContact O-N 3.25Å; W172-E175 PolarHBondContact O-N 3.12Å; E175-Q177 VanDerWaalsContact C-N 3.33Å; E175-Q177 PolarHBondContact O-N 3.26Å; E175-F178 PolarHBondContact O-N 2.75Å; E175-R179 VanDerWaalsContact O-CG 3.31Å; E175-R179 WeakPolarHBondContact O-CG 3.41Å; E175-R179 PolarHBondContact O-N 2.72Å
176	K	77.5	Confident	73	Confident	122 Å²	122	63.3 Å²	63.3	53%	0.53	30%	0.303	S	S	.	.	H	α-helix	trans	-61.2	-41.4	176.1	-176.7	179.6	179.1	-179.8	0	112	W172 S173 K174 G180	W172-K176 HydrophobicContact CH2-CD 3.89Å; W172-K176 HydrophobicContact CZ2-CD 4.25Å; W172-K176 HydrophobicContact CZ3-CD 4.17Å; W172-K176 WeakPolarHBondContact O-CB 3.31Å; W172-K176 PolarHBondContact O-N 2.97Å; S173-K176 PolarHBondContact O-N 3.48Å; K174-K176 VanDerWaalsContact C-N 3.27Å; K174-K176 PolarHBondContact O-N 2.82Å; K176-G180 PolarHBondContact O-N 3.26Å; K176-G180 VanDerWaalsContact O-N 3.09Å
177	Q	68.9	Low	72.7	Confident	72 Å²	72	67.2 Å²	67.2	34%	0.336	32%	0.318	S	S	.	.	H	α-helix	trans	-65	-44.2	176.2	-73	179.2	10.7	0	0	111.7	S173 K174 E175 R179 G180 L181	S173-Q177 WeakPolarHBondContact O-CG 3.23Å; S173-Q177 PolarHBondContact O-N 3.38Å; K174-Q177 PolarHBondContact O-N 3.47Å; K174-Q177 VanDerWaalsContact O-N 3.11Å; E175-Q177 VanDerWaalsContact C-N 3.33Å; E175-Q177 PolarHBondContact O-N 3.26Å; Q177-R179 VanDerWaalsContact C-N 3.34Å; Q177-R179 PolarHBondContact O-N 2.97Å; Q177-G180 PolarHBondContact O-N 3.4Å; Q177-L181 PolarHBondContact O-N 2.86Å; Q177-L181 VanDerWaalsContact O-N 3.14Å
178	F	67.4	Low	72.6	Confident	54 Å²	54	70.9 Å²	70.9	24%	0.237	33%	0.333	C	S	.	.	H	α-helix	trans	-59.6	-43.5	176.3	-77.6	-57.6	0	0	0	112.8	K174 E175 G180 L181 Q182 T435 A439 L455	K174-F178 HydrophobicContact CD-CE2 4.25Å; K174-F178 HydrophobicContact CG-CD2 3.86Å; K174-F178 HydrophobicContact CG-CE2 3.48Å; K174-F178 VanDerWaalsContact CG-CE2 3.48Å; K174-F178 WeakPolarHBondContact O-CD2 3.26Å; K174-F178 PolarHBondContact O-N 2.98Å; E175-F178 PolarHBondContact O-N 2.75Å; F178-G180 VanDerWaalsContact C-N 3.32Å; F178-G180 PolarHBondContact O-N 2.84Å; F178-L181 WeakPolarHBondContact O-CB 3.33Å; F178-L181 PolarHBondContact O-N 2.9Å; F178-Q182 PolarHBondContact O-N 3.27Å; F178-T435 HydrophobicContact CE2-CG2 3.98Å; F178-T435 HydrophobicContact CZ-CG2 3.97Å; F178-A439 HydrophobicContact CE1-CB 4.37Å; F178-A439 HydrophobicContact CE2-CB 4.48Å; F178-A439 HydrophobicContact CZ-CB 4.03Å; F178-L455 HydrophobicContact CD1-CD1 4.06Å; F178-L455 HydrophobicContact CD1-CD2 4.4Å; F178-L455 HydrophobicContact CE1-CD1 3.19Å; F178-L455 HydrophobicContact CE1-CD2 3.68Å; F178-L455 HydrophobicContact CE1-CG 4.05Å; F178-L455 HydrophobicContact CZ-CD1 3.62Å
179	R	73.1	Confident	72.3	Confident	147 Å²	147	75.4 Å²	75.4	56%	0.555	35%	0.354	S	S	*	.	H	α-helix	trans	-65	-36.9	177.3	-70.1	175.1	66.7	-151.9	-2.5	112.6	E175 Q177 L181 Q182 S183	E175-R179 VanDerWaalsContact O-CG 3.31Å; E175-R179 WeakPolarHBondContact O-CG 3.41Å; E175-R179 PolarHBondContact O-N 2.72Å; Q177-R179 VanDerWaalsContact C-N 3.34Å; Q177-R179 PolarHBondContact O-N 2.97Å; R179-L181 VanDerWaalsContact C-N 3.26Å; R179-L181 PolarHBondContact O-N 3.22Å; R179-Q182 PolarHBondContact O-N 3.07Å; R179-S183 WeakPolarHBondContact O-CB 3.42Å; R179-S183 PolarHBondContact O-N 3.04Å
180	G	71.2	Confident	72.4	Confident	41 Å²	41	75.3 Å²	75.3	42%	0.423	35%	0.354	S	S	.	.	H	α-helix	trans	-61.9	-35.4	174.6	0	0	0	0	0	112.8	K176 Q177 F178	K176-G180 PolarHBondContact O-N 3.26Å; K176-G180 VanDerWaalsContact O-N 3.09Å; Q177-G180 PolarHBondContact O-N 3.4Å; F178-G180 VanDerWaalsContact C-N 3.32Å; F178-G180 PolarHBondContact O-N 2.84Å
181	L	67.3	Low	73.4	Confident	17 Å²	17	74.6 Å²	74.6	9%	0.089	35%	0.35	C	S	.	.	H	α-helix	trans	-70.9	-49.8	174.4	-66.9	165.8	0	0	0	111.1	Q177 F178 R179 S183 R184 I185 V442 M446	Q177-L181 PolarHBondContact O-N 2.86Å; Q177-L181 VanDerWaalsContact O-N 3.14Å; F178-L181 WeakPolarHBondContact O-CB 3.33Å; F178-L181 PolarHBondContact O-N 2.9Å; R179-L181 VanDerWaalsContact C-N 3.26Å; R179-L181 PolarHBondContact O-N 3.22Å; L181-S183 VanDerWaalsContact C-N 3.34Å; L181-S183 PolarHBondContact O-N 3.38Å; L181-R184 PolarHBondContact O-N 3.5Å; L181-I185 WeakPolarHBondContact O-CG1 3.49Å; L181-I185 PolarHBondContact O-N 2.88Å; L181-V442 HydrophobicContact CD1-CB 4.32Å; L181-V442 HydrophobicContact CD1-CG1 3.56Å; L181-V442 HydrophobicContact CD2-CG1 4.04Å; L181-V442 HydrophobicContact CG-CG1 4.42Å; L181-M446 HydrophobicContact CD2-SD 3.93Å
182	Q	69.8	Low	74.2	Confident	99 Å²	99	73.4 Å²	73.4	46%	0.463	34%	0.344	S	S	.	.	H	α-helix	trans	-56.9	-46.2	179.5	-174.5	63	26.2	0	0	112.2	F178 R179 R184 I185 E186	F178-Q182 PolarHBondContact O-N 3.27Å; R179-Q182 PolarHBondContact O-N 3.07Å; Q182-R184 PolarHBondContact O-N 3.12Å; Q182-I185 PolarHBondContact O-N 3.36Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.37Å; Q182-E186 PolarHBondContact NE2-OE1 3.05Å; Q182-E186 VanDerWaalsContact NE2-OE1 3.09Å; Q182-E186 WeakPolarHBondContact O-CG 3.15Å; Q182-E186 PolarHBondContact O-N 3.31Å
183	S	73.5	Confident	74.7	Confident	54 Å²	54	68.9 Å²	68.9	38%	0.378	33%	0.327	S	S	.	.	H	α-helix	trans	-61.5	-28.3	178.1	175.7	0	0	0	0	113.2	R179 L181 Q187	R179-S183 WeakPolarHBondContact O-CB 3.42Å; R179-S183 PolarHBondContact O-N 3.04Å; L181-S183 VanDerWaalsContact C-N 3.34Å; L181-S183 PolarHBondContact O-N 3.38Å; S183-Q187 VanDerWaalsContact O-CG 3.29Å; S183-Q187 WeakPolarHBondContact O-CG 3.26Å; S183-Q187 PolarHBondContact O-N 3.3Å
184	R	69.3	Low	75.4	Confident	142 Å²	142	67.7 Å²	67.7	54%	0.536	32%	0.318	S	S	.	.	H	α-helix	trans	-80.3	-39.2	176.1	-77.8	-159.8	178.2	-152.8	-0.6	112.4	L181 Q182 E186 Q187 E188	L181-R184 PolarHBondContact O-N 3.5Å; Q182-R184 PolarHBondContact O-N 3.12Å; R184-E186 PolarHBondContact O-N 3.42Å; R184-Q187 PolarHBondContact O-N 3.02Å; R184-Q187 VanDerWaalsContact O-N 3.11Å; R184-E188 PolarHBondContact O-N 2.9Å
185	I	69.6	Low	76.5	Confident	27 Å²	27	66.5 Å²	66.5	14%	0.138	31%	0.312	C	S	.	.	H	α-helix	trans	-56.2	-44.5	173.6	-65.2	168.9	0	0	0	109.7	L181 Q182 Q187 E188 L451	L181-I185 WeakPolarHBondContact O-CG1 3.49Å; L181-I185 PolarHBondContact O-N 2.88Å; Q182-I185 PolarHBondContact O-N 3.36Å; I185-Q187 VanDerWaalsContact C-N 3.3Å; I185-Q187 PolarHBondContact O-N 3.05Å; I185-E188 PolarHBondContact O-N 2.9Å; I185-L451 HydrophobicContact CD1-CD1 4.48Å; I185-L451 HydrophobicContact CG1-CD1 3.77Å; I185-L451 HydrophobicContact CG1-CD2 4.03Å; I185-L451 HydrophobicContact CG1-CG 4.08Å
186	E	69.9	Low	77.1	Confident	73 Å²	73	71.3 Å²	71.3	34%	0.341	33%	0.332	S	S	.	.	H	α-helix	trans	-64.7	-30.5	178.2	-72.9	169.6	-165.9	0	0	113.3	Q182 R184	Q182-E186 WeakPolarHBondContact CG-OE1 3.37Å; Q182-E186 PolarHBondContact NE2-OE1 3.05Å; Q182-E186 VanDerWaalsContact NE2-OE1 3.09Å; Q182-E186 WeakPolarHBondContact O-CG 3.15Å; Q182-E186 PolarHBondContact O-N 3.31Å; R184-E186 PolarHBondContact O-N 3.42Å
187	Q	71.6	Confident	77.2	Confident	129 Å²	129	67.7 Å²	67.7	60%	0.603	33%	0.33	S	S	*	.	H	α-helix	trans	-78.2	-23.7	179.4	-76.6	174.4	-3.2	0	0	113.9	S183 R184 I185 Q189	S183-Q187 VanDerWaalsContact O-CG 3.29Å; S183-Q187 WeakPolarHBondContact O-CG 3.26Å; S183-Q187 PolarHBondContact O-N 3.3Å; R184-Q187 PolarHBondContact O-N 3.02Å; R184-Q187 VanDerWaalsContact O-N 3.11Å; I185-Q187 VanDerWaalsContact C-N 3.3Å; I185-Q187 PolarHBondContact O-N 3.05Å; Q187-Q189 VanDerWaalsContact C-N 3.33Å
188	E	70.4	Confident	77.8	Confident	108 Å²	108	70.6 Å²	70.6	51%	0.505	34%	0.343	S	S	.	.	H	α-helix	trans	-78.1	-18.1	-179.9	-75.9	-166.3	170.4	0	0	113.3	R184 I185 K190 L451	R184-E188 PolarHBondContact O-N 2.9Å; I185-E188 PolarHBondContact O-N 2.9Å; E188-K190 PolarHBondContact O-N 3.25Å; E188-L451 WeakPolarHBondContact OE2-CD2 3.45Å
189	Q	76.5	Confident	78.5	Confident	95 Å²	95	72.1 Å²	72.1	44%	0.444	36%	0.357	S	S	.	.			trans	-74.6	112.5	177.9	-67.7	-174.8	-23.8	0	0	111.1	Q187 V204	Q187-Q189 VanDerWaalsContact C-N 3.33Å; Q189-V204 HydrophobicContact CB-CG2 4.04Å; Q189-V204 PolarHBondContact O-N 3.34Å
190	K	85.2	Confident	79.1	Confident	118 Å²	118	68 Å²	68	51%	0.513	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	148.2	178.5	-63.5	179.6	-176.2	178.2	0	110.6	E188 Q201 I202	E188-K190 PolarHBondContact O-N 3.25Å; K190-Q201 HydrophobicContact CB-CB 4.48Å; K190-I202 CarbonylContact C-O 3.39Å; K190-I202 VanDerWaalsContact CA-O 3.26Å; K190-I202 WeakPolarHBondContact CA-O 3.44Å
191	F	89	Confident	79.8	Confident	5 Å²	5	72 Å²	72	2%	0.022	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	153.5	176.2	-149.9	-97.5	0	0	0	111.8	Q201 I202 V204 I207 A213 I215 D219 L220 L221 P222	F191-Q201 WeakPolarHBondContact O-CA 3.36Å; F191-I202 PolarHBondContact N-O 3.32Å; F191-I202 PolarHBondContact O-N 3.1Å; F191-V204 HydrophobicContact CB-CG2 4.3Å; F191-I207 HydrophobicContact CB-CD1 3.81Å; F191-I207 HydrophobicContact CG-CD1 4.36Å; F191-A213 HydrophobicContact CD1-CB 4.27Å; F191-A213 HydrophobicContact CE1-CB 3.98Å; F191-I215 HydrophobicContact CE1-CG2 4.1Å; F191-I215 HydrophobicContact CZ-CG2 3.98Å; F191-D219 HydrophobicContact CE2-CB 3.89Å; F191-D219 HydrophobicContact CZ-CB 4.07Å; F191-L220 VanDerWaalsContact CE2-O 3.23Å; F191-L220 WeakPolarHBondContact CE2-O 3.32Å; F191-L221 HydrophobicContact CZ-CD2 4.37Å; F191-P222 HydrophobicContact CB-CG 4.19Å; F191-P222 HydrophobicContact CD1-CG 4Å; F191-P222 HydrophobicContact CD2-CG 3.76Å; F191-P222 HydrophobicContact CE1-CG 4.37Å; F191-P222 HydrophobicContact CE2-CG 4.13Å; F191-P222 HydrophobicContact CG-CG 3.69Å; F191-P222 HydrophobicContact CZ-CG 4.42Å
192	T	89.6	Confident	80.8	Confident	18 Å²	18	71.8 Å²	71.8	11%	0.11	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	119.4	-177.7	-53.6	0	0	0	0	110.4	V199 Q214	T192-V199 HydrophobicContact CG2-CG1 3.24Å; T192-Q214 HydrophobicContact CG2-CB 4.19Å; T192-Q214 PolarHBondContact O-N 3.39Å
193	V	92.5	Very high	81.8	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	157.3	178.1	-58	0	0	0	0	111.1	R195 I200 I202 I212	V193-R195 HydrophobicContact CG2-CG 4.23Å; V193-I200 HydrophobicContact CG2-CD1 4.3Å; V193-I200 HydrophobicContact CG2-CG1 3.78Å; V193-I200 PolarHBondContact N-O 2.87Å; V193-I200 PolarHBondContact O-N 3.09Å; V193-I200 VanDerWaalsContact O-O 3.11Å; V193-I202 HydrophobicContact CG1-CD1 4.06Å; V193-I202 HydrophobicContact CG1-CG1 4.16Å; V193-I202 HydrophobicContact CG2-CD1 3.67Å; V193-I202 HydrophobicContact CG2-CG1 3.77Å; V193-I202 HydrophobicContact CG2-CG2 4.16Å; V193-I212 CarbonylContact C-O 3.57Å; V193-I212 WeakPolarHBondContact CA-O 3.24Å
194	I	89.4	Confident	82.5	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.021	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.9	173.9	-50.9	179.9	0	0	0	108.2	G66 Q198 V199 I212	G66-I194 WeakPolarHBondContact CA-O 3.24Å; I194-Q198 WeakPolarHBondContact CA-O 3.29Å; I194-V199 HydrophobicContact CG1-CG2 4.39Å; I194-I212 HydrophobicContact CB-CB 4.31Å; I194-I212 HydrophobicContact CB-CG2 4.49Å; I194-I212 HydrophobicContact CD1-CG2 4.1Å; I194-I212 HydrophobicContact CG1-CG2 4.43Å; I194-I212 PolarHBondContact N-O 3.31Å
195	R	90.6	Very high	83.4	Confident	23 Å²	23	63.6 Å²	63.6	9%	0.087	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.2	171.4	-64.1	-170.4	178.6	163.9	-1.5	109	E65 L67 V193 G197 Q198 I200 E206 D211	E65-R195 CarbonylContact O-C 3.51Å; L67-R195 HydrophobicContact CB-CG 4.35Å; L67-R195 CarbonylContact O-C 3.58Å; L67-R195 VanDerWaalsContact O-CA 3.3Å; L67-R195 WeakPolarHBondContact O-CA 3.33Å; V193-R195 HydrophobicContact CG2-CG 4.23Å; R195-G197 PolarHBondContact O-N 2.61Å; R195-Q198 PolarHBondContact N-O 3.27Å; R195-Q198 PolarHBondContact O-N 3.16Å; R195-I200 HydrophobicContact CB-CD1 4.04Å; R195-I200 HydrophobicContact CG-CD1 4.2Å; R195-E206 PolarHBondContact NH2-O 3.47Å; R195-D211 IonicContact CZ-OD1 2.94Å; R195-D211 IonicContact CZ-OD2 2.71Å; R195-D211 IonicContact NE-OD1 2.77Å; R195-D211 PolarHBondContact NE-OD1 3.16Å; R195-D211 IonicContact NE-OD2 3.12Å; R195-D211 IonicContact NH2-OD1 3.79Å; R195-D211 PolarHBondContact NH2-OD1 2.77Å; R195-D211 IonicContact NH2-OD2 3.51Å; R195-D211 PolarHBondContact NH2-OD2 2.88Å
196	K	86.9	Confident	84.4	Confident	150 Å²	150	67.2 Å²	67.2	65%	0.652	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	35.4	-174.4	-55.4	-179.8	179.8	178.7	0	114.2	E65 L67 S68 Q198	E65-K196 PolarHBondContact O-N 3.35Å; E65-K196 VanDerWaalsContact O-N 3.09Å; L67-K196 PolarHBondContact O-N 3.46Å; S68-K196 WeakPolarHBondContact O-CE 3.41Å; S68-K196 WeakPolarHBondContact O-CG 3.34Å; K196-Q198 PolarHBondContact O-N 2.99Å; K196-Q198 VanDerWaalsContact O-N 3.16Å
197	G	79.4	Confident	85.5	Confident	46 Å²	46	63.8 Å²	63.8	47%	0.474	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	4.2	-176.1	0	0	0	0	0	114.7	E65 R195	E65-G197 PolarHBondContact O-N 3.02Å; R195-G197 PolarHBondContact O-N 2.61Å
198	Q	81.1	Confident	86.6	Confident	133 Å²	133	57.7 Å²	57.7	62%	0.621	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.8	177.7	-64.1	-174.2	-6.2	0	0	110.8	I194 R195 K196 I200	I194-Q198 WeakPolarHBondContact CA-O 3.29Å; R195-Q198 PolarHBondContact N-O 3.27Å; R195-Q198 PolarHBondContact O-N 3.16Å; K196-Q198 PolarHBondContact O-N 2.99Å; K196-Q198 VanDerWaalsContact O-N 3.16Å; Q198-I200 HydrophobicContact CB-CG2 4.3Å; Q198-I200 PolarHBondContact O-N 2.82Å
199	V	82.9	Confident	87.7	Confident	86 Å²	86	52.7 Å²	52.7	52%	0.521	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	113.1	173.4	-177.3	0	0	0	0	108.2	T192 I194	T192-V199 HydrophobicContact CG2-CG1 3.24Å; I194-V199 HydrophobicContact CG1-CG2 4.39Å
200	I	85.8	Confident	88.4	Confident	59 Å²	59	48.1 Å²	48.1	30%	0.303	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	152	-178.1	63	169.8	0	0	0	110.6	V193 R195 Q198 I202	V193-I200 HydrophobicContact CG2-CD1 4.3Å; V193-I200 HydrophobicContact CG2-CG1 3.78Å; V193-I200 PolarHBondContact N-O 2.87Å; V193-I200 PolarHBondContact O-N 3.09Å; V193-I200 VanDerWaalsContact O-O 3.11Å; R195-I200 HydrophobicContact CB-CD1 4.04Å; R195-I200 HydrophobicContact CG-CD1 4.2Å; Q198-I200 HydrophobicContact CB-CG2 4.3Å; Q198-I200 PolarHBondContact O-N 2.82Å; I200-I202 HydrophobicContact CD1-CG2 3.8Å; I200-I202 HydrophobicContact CG1-CG2 4.15Å
201	Q	84.7	Confident	88.9	Confident	127 Å²	127	42.5 Å²	42.5	59%	0.593	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101	121.3	172	-71.7	-172.4	-12.5	0	0	109.9	K190 F191	K190-Q201 HydrophobicContact CB-CB 4.48Å; F191-Q201 WeakPolarHBondContact O-CA 3.36Å
202	I	89.5	Confident	89.1	Confident	11 Å²	11	42.3 Å²	42.3	6%	0.056	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	153.8	177.8	64.2	171.4	0	0	0	110.5	K190 F191 V193 I200 E206 I207	K190-I202 CarbonylContact C-O 3.39Å; K190-I202 VanDerWaalsContact CA-O 3.26Å; K190-I202 WeakPolarHBondContact CA-O 3.44Å; F191-I202 PolarHBondContact N-O 3.32Å; F191-I202 PolarHBondContact O-N 3.1Å; V193-I202 HydrophobicContact CG1-CD1 4.06Å; V193-I202 HydrophobicContact CG1-CG1 4.16Å; V193-I202 HydrophobicContact CG2-CD1 3.67Å; V193-I202 HydrophobicContact CG2-CG1 3.77Å; V193-I202 HydrophobicContact CG2-CG2 4.16Å; I200-I202 HydrophobicContact CD1-CG2 3.8Å; I200-I202 HydrophobicContact CG1-CG2 4.15Å; I202-E206 HydrophobicContact CD1-CB 4.27Å; I202-I207 HydrophobicContact CD1-CG1 3.98Å; I202-I207 HydrophobicContact CG1-CG1 4.31Å
203	P	89.5	Confident	89.3	Confident	39 Å²	39	41.5 Å²	41.5	25%	0.253	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	142	169.9	-23	33.9	0	0	0	111.7	A205 E206	P203-A205 PolarHBondContact O-N 3.31Å; P203-A205 VanDerWaalsContact O-N 3.14Å; P203-E206 HydrophobicContact CB-CG 4.3Å; P203-E206 HydrophobicContact CG-CG 4.38Å; P203-E206 WeakPolarHBondContact O-CB 3.49Å; P203-E206 PolarHBondContact O-N 3.28Å
204	V	89.9	Confident	89.1	Confident	30 Å²	30	44.8 Å²	44.8	18%	0.182	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-55.1	-35.1	-179	164.7	0	0	0	0	112.5	N84 Q189 F191 E206 I207 P222	N84-V204 PolarHBondContact ND2-O 3.21Å; Q189-V204 HydrophobicContact CB-CG2 4.04Å; Q189-V204 PolarHBondContact O-N 3.34Å; F191-V204 HydrophobicContact CB-CG2 4.3Å; V204-E206 PolarHBondContact O-N 3.3Å; V204-I207 WeakPolarHBondContact O-CB 3.43Å; V204-I207 WeakPolarHBondContact O-CG1 3.41Å; V204-I207 PolarHBondContact O-N 3Å; V204-P222 HydrophobicContact CB-CB 4.36Å; V204-P222 HydrophobicContact CG1-CB 3.6Å; V204-P222 HydrophobicContact CG2-CB 3.97Å
205	A	88.3	Confident	89.1	Confident	55 Å²	55	44.6 Å²	44.6	46%	0.455	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-66.4	-19	178.7	0	0	0	0	0	114.5	N84 P203	N84-A205 WeakPolarHBondContact O-CA 3.44Å; P203-A205 PolarHBondContact O-N 3.31Å; P203-A205 VanDerWaalsContact O-N 3.14Å
206	E	90.1	Very high	88.7	Confident	102 Å²	102	48.7 Å²	48.7	48%	0.477	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-92.8	-1.2	-179.8	-65.3	-176.2	-168.3	0	0	113.6	R195 I202 P203 V204	R195-E206 PolarHBondContact NH2-O 3.47Å; I202-E206 HydrophobicContact CD1-CB 4.27Å; P203-E206 HydrophobicContact CB-CG 4.3Å; P203-E206 HydrophobicContact CG-CG 4.38Å; P203-E206 WeakPolarHBondContact O-CB 3.49Å; P203-E206 PolarHBondContact O-N 3.28Å; V204-E206 PolarHBondContact O-N 3.3Å
207	I	92.7	Very high	88.2	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.244	C	C	.	.			trans	-69.2	134.1	175.7	-64.7	172.9	0	0	0	109.4	N84 F191 I202 V204 P222 A223 V272 V275	N84-I207 WeakPolarHBondContact CB-O 3Å; F191-I207 HydrophobicContact CB-CD1 3.81Å; F191-I207 HydrophobicContact CG-CD1 4.36Å; I202-I207 HydrophobicContact CD1-CG1 3.98Å; I202-I207 HydrophobicContact CG1-CG1 4.31Å; V204-I207 WeakPolarHBondContact O-CB 3.43Å; V204-I207 WeakPolarHBondContact O-CG1 3.41Å; V204-I207 PolarHBondContact O-N 3Å; I207-P222 HydrophobicContact CD1-CB 3.78Å; I207-P222 HydrophobicContact CD1-CG 3.37Å; I207-A223 HydrophobicContact CG2-CB 4.34Å; I207-V272 HydrophobicContact CG2-CG1 4.13Å; I207-V272 HydrophobicContact CG2-CG2 3.92Å; I207-V275 HydrophobicContact CG2-CG1 4.41Å
208	V	94.2	Very high	87.8	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.006	22%	0.222	C	C	.	.			trans	-123.5	159.2	178.3	-64.1	0	0	0	0	111.8	L67 L74 R77 H78 G210 D211	L67-V208 HydrophobicContact CD1-CG2 3.64Å; L74-V208 HydrophobicContact CD2-CG1 4.49Å; L74-V208 HydrophobicContact CD2-CG2 3.68Å; R77-V208 HydrophobicContact CB-CB 4.32Å; H78-V208 WeakPolarHBondContact CE1-CG1 3.3Å; V208-G210 PolarHBondContact O-N 3.33Å; V208-D211 WeakPolarHBondContact CG2-OD2 3.29Å; V208-D211 PolarHBondContact N-OD2 3.19Å; V208-D211 WeakPolarHBondContact O-CB 3.5Å; V208-D211 PolarHBondContact O-N 3.21Å; V208-D211 VanDerWaalsContact O-N 3.07Å
209	V	94.4	Very high	87.7	Confident	3 Å²	3	37.8 Å²	37.8	2%	0.018	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	131.2	171.8	175.2	0	0	0	0	109.8	L30 L59 R77 F81 S273 V275	L30-V209 HydrophobicContact CD1-CG1 3.79Å; L59-V209 HydrophobicContact CD1-CG1 4.36Å; L59-V209 HydrophobicContact CD2-CG1 3.91Å; R77-V209 PolarHBondContact NH1-O 2.83Å; F81-V209 HydrophobicContact CB-CB 3.86Å; F81-V209 HydrophobicContact CB-CG1 4.46Å; F81-V209 HydrophobicContact CB-CG2 3.61Å; F81-V209 HydrophobicContact CD1-CG1 4.22Å; F81-V209 HydrophobicContact CD2-CB 3.98Å; F81-V209 HydrophobicContact CD2-CG1 4.16Å; F81-V209 HydrophobicContact CE2-CG1 4.48Å; F81-V209 HydrophobicContact CG-CB 3.88Å; F81-V209 HydrophobicContact CG-CG1 4.03Å; F81-V209 HydrophobicContact CG-CG2 4.1Å; V209-S273 WeakPolarHBondContact CG2-O 3.45Å; V209-V275 HydrophobicContact CG2-CG1 4.16Å; V209-V275 HydrophobicContact CG2-CG2 4.08Å
210	G	91.5	Very high	87.8	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	4	-174.3	0	0	0	0	0	115.4	T61 L67 V208 V272	T61-G210 WeakPolarHBondContact CB-O 3.22Å; T61-G210 WeakPolarHBondContact CG2-O 3.44Å; T61-G210 PolarHBondContact OG1-O 3.5Å; L67-G210 WeakPolarHBondContact CD2-O 3.44Å; V208-G210 PolarHBondContact O-N 3.33Å; G210-V272 PolarHBondContact N-O 2.98Å
211	D	94.3	Very high	88.1	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.			trans	-64.1	148.7	160.8	-88.4	-42.6	0	0	0	110.3	L67 R195 V208 V272	L67-D211 VanDerWaalsContact CD1-OD1 3.26Å; L67-D211 WeakPolarHBondContact CD1-OD1 3.49Å; R195-D211 IonicContact CZ-OD1 2.94Å; R195-D211 IonicContact CZ-OD2 2.71Å; R195-D211 IonicContact NE-OD1 2.77Å; R195-D211 PolarHBondContact NE-OD1 3.16Å; R195-D211 IonicContact NE-OD2 3.12Å; R195-D211 IonicContact NH2-OD1 3.79Å; R195-D211 PolarHBondContact NH2-OD1 2.77Å; R195-D211 IonicContact NH2-OD2 3.51Å; R195-D211 PolarHBondContact NH2-OD2 2.88Å; V208-D211 WeakPolarHBondContact CG2-OD2 3.29Å; V208-D211 PolarHBondContact N-OD2 3.19Å; V208-D211 WeakPolarHBondContact O-CB 3.5Å; V208-D211 PolarHBondContact O-N 3.21Å; V208-D211 VanDerWaalsContact O-N 3.07Å; D211-V272 HydrophobicContact CB-CG2 4.08Å; D211-V272 PolarHBondContact O-N 3.4Å
212	I	94.3	Very high	88.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	108.8	169.6	-56.3	-54.8	0	0	0	107.9	T61 S62 V193 I194 I228 R269 M270 V271	T61-I212 HydrophobicContact CG2-CD1 3.62Å; T61-I212 HydrophobicContact CG2-CG1 3.73Å; S62-I212 WeakPolarHBondContact O-CG1 2.73Å; V193-I212 CarbonylContact C-O 3.57Å; V193-I212 WeakPolarHBondContact CA-O 3.24Å; I194-I212 HydrophobicContact CB-CB 4.31Å; I194-I212 HydrophobicContact CB-CG2 4.49Å; I194-I212 HydrophobicContact CD1-CG2 4.1Å; I194-I212 HydrophobicContact CG1-CG2 4.43Å; I194-I212 PolarHBondContact N-O 3.31Å; I212-I228 HydrophobicContact CD1-CD1 3.62Å; I212-I228 HydrophobicContact CG2-CD1 4.32Å; I212-R269 HydrophobicContact CG2-CB 4.48Å; I212-M270 CarbonylContact C-O 3.56Å; I212-M270 WeakPolarHBondContact CA-O 3.18Å; I212-V271 HydrophobicContact CD1-CB 3.92Å; I212-V271 HydrophobicContact CD1-CG2 4.11Å
213	A	93.2	Very high	88.5	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	128.9	179.6	0	0	0	0	0	109.8	F191 R269 M270 V272	F191-A213 HydrophobicContact CD1-CB 4.27Å; F191-A213 HydrophobicContact CE1-CB 3.98Å; A213-R269 WeakPolarHBondContact O-CA 3.49Å; A213-M270 HydrophobicContact CB-CE 3.69Å; A213-M270 HydrophobicContact CB-CG 3.77Å; A213-M270 PolarHBondContact N-O 2.68Å; A213-M270 PolarHBondContact O-N 2.98Å; A213-V272 HydrophobicContact CB-CG2 4.26Å
214	Q	89.1	Confident	88.7	Confident	69 Å²	69	24.9 Å²	24.9	32%	0.322	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	115.3	174.7	-174.2	173.7	14.9	0	0	108.4	T192	T192-Q214 HydrophobicContact CG2-CB 4.19Å; T192-Q214 PolarHBondContact O-N 3.39Å
215	I	89.8	Confident	88.8	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.5	-174.7	60.9	177	0	0	0	110	F191 L221 L227 L233 L257 V263 S267 G268 M270	F191-I215 HydrophobicContact CE1-CG2 4.1Å; F191-I215 HydrophobicContact CZ-CG2 3.98Å; I215-L221 HydrophobicContact CB-CD2 4.35Å; I215-L221 HydrophobicContact CG2-CD2 3.63Å; I215-L227 HydrophobicContact CD1-CD1 4.45Å; I215-L233 HydrophobicContact CD1-CD1 4.08Å; I215-L233 HydrophobicContact CD1-CD2 3.54Å; I215-L233 HydrophobicContact CD1-CG 4.48Å; I215-L257 HydrophobicContact CD1-CD1 3.73Å; I215-L257 HydrophobicContact CD1-CD2 4.18Å; I215-V263 HydrophobicContact CB-CG2 4.48Å; I215-S267 CarbonylContact O-C 3.55Å; I215-S267 WeakPolarHBondContact O-CA 3.1Å; I215-S267 WeakPolarHBondContact O-CB 3.46Å; I215-G268 VanDerWaalsContact CG1-C 3.48Å; I215-G268 WeakPolarHBondContact CG1-O 3.38Å; I215-G268 PolarHBondContact N-O 3.44Å; I215-G268 PolarHBondContact O-N 3.31Å; I215-M270 HydrophobicContact CG2-CE 4.21Å; I215-M270 HydrophobicContact CG2-CG 4.21Å; I215-M270 HydrophobicContact CG2-SD 4.11Å
216	K	81.5	Confident	89.1	Confident	109 Å²	109	20.8 Å²	20.8	47%	0.474	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	164.8	176.9	54.6	171	-176.4	-179.3	0	109.9	G218 D219 V263	K216-G218 PolarHBondContact O-N 3.09Å; K216-D219 WeakPolarHBondContact CE-OD1 3.48Å; K216-D219 VanDerWaalsContact CG-CG 3.49Å; K216-D219 WeakPolarHBondContact CG-OD1 3.45Å; K216-D219 WeakPolarHBondContact CG-OD2 3.36Å; K216-D219 PolarHBondContact N-OD2 3.04Å; K216-D219 WeakPolarHBondContact O-CB 3.41Å; K216-D219 PolarHBondContact O-N 3.31Å; K216-V263 WeakPolarHBondContact O-CB 3.26Å
217	Y	76.9	Confident	89.2	Confident	87 Å²	87	16 Å²	16	34%	0.341	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45	128.1	170.2	169.4	-100.4	0	0	0	112.7	M264 G266 T794	Y217-M264 WeakPolarHBondContact CD2-O 3.26Å; Y217-M264 WeakPolarHBondContact CE2-O 3.31Å; Y217-G266 PolarHBondContact N-O 2.74Å; Y217-T794 HydrophobicContact CE1-CG2 4.3Å; Y217-T794 HydrophobicContact CE2-CG2 4.02Å; Y217-T794 WeakPolarHBondContact CE2-OG1 3.22Å; Y217-T794 VanDerWaalsContact CZ-OG1 3.27Å; Y217-T794 PolarHBondContact OH-OG1 3.04Å
218	G	69.4	Low	89	Confident	1 Å²	1	17 Å²	17	1%	0.01	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-4.5	176.9	0	0	0	0	0	116.1	K216 V263 D815	K216-G218 PolarHBondContact O-N 3.09Å; G218-V263 PolarHBondContact N-O 2.93Å; G218-D815 PolarHBondContact O-N 3.04Å; G218-D815 VanDerWaalsContact O-N 3.15Å
219	D	80.8	Confident	88.6	Confident	11 Å²	11	21.7 Å²	21.7	6%	0.059	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-74.1	141.6	177	-69.8	-9.2	0	0	0	111.2	F191 K216 V263	F191-D219 HydrophobicContact CE2-CB 3.89Å; F191-D219 HydrophobicContact CZ-CB 4.07Å; K216-D219 WeakPolarHBondContact CE-OD1 3.48Å; K216-D219 VanDerWaalsContact CG-CG 3.49Å; K216-D219 WeakPolarHBondContact CG-OD1 3.45Å; K216-D219 WeakPolarHBondContact CG-OD2 3.36Å; K216-D219 PolarHBondContact N-OD2 3.04Å; K216-D219 WeakPolarHBondContact O-CB 3.41Å; K216-D219 PolarHBondContact O-N 3.31Å; D219-V263 HydrophobicContact CB-CG2 4.43Å; D219-V263 PolarHBondContact O-N 2.98Å
220	L	85.1	Confident	88	Confident	36 Å²	36	23 Å²	23	19%	0.188	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-89.8	125.1	164.1	169.7	66.5	0	0	0	108.4	F191 P222 H262 D815	F191-L220 VanDerWaalsContact CE2-O 3.23Å; F191-L220 WeakPolarHBondContact CE2-O 3.32Å; L220-P222 VanDerWaalsContact O-CD 3.29Å; L220-P222 WeakPolarHBondContact O-CD 3.24Å; L220-H262 VanDerWaalsContact CD1-CE1 3.5Å; L220-H262 WeakPolarHBondContact CD1-CE1 3.48Å; L220-D815 HydrophobicContact CB-CB 3.79Å
221	L	90.5	Very high	87.4	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-70.4	120.8	-179.8	-64.7	-165.8	0	0	0	111.3	F191 I215 L235 L257 L258 S259 G260 T261 V263 M270	F191-L221 HydrophobicContact CZ-CD2 4.37Å; I215-L221 HydrophobicContact CB-CD2 4.35Å; I215-L221 HydrophobicContact CG2-CD2 3.63Å; L221-L235 HydrophobicContact CD1-CD2 3.52Å; L221-L235 HydrophobicContact CG-CD2 4.11Å; L221-L257 HydrophobicContact CD1-CB 3.71Å; L221-L257 HydrophobicContact CD1-CD2 4.1Å; L221-L257 HydrophobicContact CD1-CG 4.45Å; L221-L258 WeakPolarHBondContact CB-O 3.47Å; L221-S259 CarbonylContact O-C 3.59Å; L221-S259 WeakPolarHBondContact O-CA 3.48Å; L221-G260 PolarHBondContact O-N 3.45Å; L221-T261 PolarHBondContact N-O 2.78Å; L221-V263 HydrophobicContact CD2-CG2 4.06Å; L221-M270 HydrophobicContact CD1-SD 4.45Å; L221-M270 HydrophobicContact CD2-CE 4.21Å; L221-M270 HydrophobicContact CD2-SD 4.42Å
222	P	89.4	Confident	86.5	Confident	14 Å²	14	34.7 Å²	34.7	9%	0.091	18%	0.177	C	C	.	.			trans	-87.3	-10	-174	34.2	-37.3	0	0	0	114.4	N84 F191 V204 I207 L220 S259	N84-P222 PolarHBondContact ND2-O 3.39Å; N84-P222 VanDerWaalsContact ND2-O 3.08Å; N84-P222 PolarHBondContact OD1-O 3.49Å; F191-P222 HydrophobicContact CB-CG 4.19Å; F191-P222 HydrophobicContact CD1-CG 4Å; F191-P222 HydrophobicContact CD2-CG 3.76Å; F191-P222 HydrophobicContact CE1-CG 4.37Å; F191-P222 HydrophobicContact CE2-CG 4.13Å; F191-P222 HydrophobicContact CG-CG 3.69Å; F191-P222 HydrophobicContact CZ-CG 4.42Å; V204-P222 HydrophobicContact CB-CB 4.36Å; V204-P222 HydrophobicContact CG1-CB 3.6Å; V204-P222 HydrophobicContact CG2-CB 3.97Å; I207-P222 HydrophobicContact CD1-CB 3.78Å; I207-P222 HydrophobicContact CD1-CG 3.37Å; L220-P222 VanDerWaalsContact O-CD 3.29Å; L220-P222 WeakPolarHBondContact O-CD 3.24Å; P222-S259 PolarHBondContact O-OG 2.87Å
223	A	92.9	Very high	85.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-158.5	157.6	-175	0	0	0	0	0	109.2	I207 S259 V272 V275	I207-A223 HydrophobicContact CG2-CB 4.34Å; A223-S259 PolarHBondContact N-OG 3.33Å; A223-V272 HydrophobicContact CB-CG1 3.77Å; A223-V275 HydrophobicContact CB-CG1 3.93Å
224	D	93.8	Very high	85.1	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	145.9	174.9	-58.9	-15.2	0	0	0	109.6	M34 L257 S259 S273 A274 S279 Q280	M34-D224 HydrophobicContact CG-CB 3.82Å; M34-D224 HydrophobicContact SD-CB 3.65Å; D224-L257 CarbonylContact C-O 3.51Å; D224-L257 WeakPolarHBondContact CA-O 3.34Å; D224-S259 WeakPolarHBondContact OD1-CA 3.44Å; D224-S259 WeakPolarHBondContact OD1-CB 3.25Å; D224-S259 PolarHBondContact OD1-N 3.37Å; D224-S273 PolarHBondContact O-N 2.54Å; D224-A274 HydrophobicContact CB-CB 4.17Å; D224-A274 PolarHBondContact N-O 3.15Å; D224-A274 PolarHBondContact O-N 2.98Å; D224-S279 WeakPolarHBondContact OD2-CA 3.33Å; D224-Q280 PolarHBondContact OD2-N 2.97Å
225	G	93.8	Very high	84.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	173.7	-178.5	0	0	0	0	0	114.7	L257 V271	G225-L257 PolarHBondContact N-O 2.98Å; G225-L257 WeakPolarHBondContact O-CB 3.3Å; G225-L257 PolarHBondContact O-N 3.19Å; G225-V271 CarbonylContact C-O 3.43Å; G225-V271 WeakPolarHBondContact CA-O 3.48Å
226	I	93.7	Very high	84	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.3	180	-55.5	174.9	0	0	0	108.7	M34 I45 V52 I55 I228 P255 M256 M270 V271 S273	M34-I226 HydrophobicContact CE-CD1 4.01Å; M34-I226 HydrophobicContact CE-CG1 3.67Å; I45-I226 HydrophobicContact CD1-CD1 4.47Å; I45-I226 HydrophobicContact CD1-CG2 4.32Å; V52-I226 HydrophobicContact CG1-CB 4.5Å; V52-I226 HydrophobicContact CG1-CG2 3.88Å; V52-I226 HydrophobicContact CG2-CG2 3.79Å; I55-I226 HydrophobicContact CD1-CD1 3.73Å; I226-I228 PolarHBondContact O-N 3.21Å; I226-P255 HydrophobicContact CG2-CB 4.27Å; I226-M256 HydrophobicContact CB-CE 4.18Å; I226-M256 HydrophobicContact CD1-CE 4.32Å; I226-M256 HydrophobicContact CG1-CE 3.72Å; I226-M256 HydrophobicContact CG1-SD 4.32Å; I226-M256 HydrophobicContact CG2-CE 3.78Å; I226-M270 CarbonylContact O-C 3.57Å; I226-M270 WeakPolarHBondContact O-CA 3.49Å; I226-M270 WeakPolarHBondContact O-CB 3.37Å; I226-V271 HydrophobicContact CB-CG1 3.94Å; I226-V271 PolarHBondContact N-O 3.34Å; I226-V271 PolarHBondContact O-N 3.39Å; I226-S273 WeakPolarHBondContact CG1-OG 3.48Å
227	L	92.3	Very high	83.9	Confident	1 Å²	1	30 Å²	30	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	127.4	177.8	-170.8	70.1	0	0	0	110.5	I215 Q229 L233 K249 L251 P255 L257	I215-L227 HydrophobicContact CD1-CD1 4.45Å; L227-Q229 WeakPolarHBondContact CD1-O 3.47Å; L227-L233 HydrophobicContact CD1-CD2 3.62Å; L227-L233 HydrophobicContact CD2-CD2 4.45Å; L227-K249 HydrophobicContact CD2-CB 4.37Å; L227-L251 WeakPolarHBondContact O-CD2 3.45Å; L227-P255 HydrophobicContact CB-CB 4.12Å; L227-P255 WeakPolarHBondContact CB-O 3.29Å; L227-P255 PolarHBondContact N-O 2.86Å; L227-L257 HydrophobicContact CB-CD1 4.08Å; L227-L257 HydrophobicContact CD1-CD1 3.99Å
228	I	88.7	Confident	83.3	Confident	21 Å²	21	27.4 Å²	27.4	11%	0.108	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-41.2	173.4	-59.7	163.5	0	0	0	110	V52 P63 I212 I226 R269 V271	V52-I228 HydrophobicContact CG1-CG1 4Å; P63-I228 HydrophobicContact CB-CG2 4.32Å; I212-I228 HydrophobicContact CD1-CD1 3.62Å; I212-I228 HydrophobicContact CG2-CD1 4.32Å; I226-I228 PolarHBondContact O-N 3.21Å; I228-R269 PolarHBondContact N-O 2.96Å; I228-V271 HydrophobicContact CD1-CB 4.01Å; I228-V271 HydrophobicContact CD1-CG1 4.5Å; I228-V271 HydrophobicContact CG1-CB 4.45Å; I228-V271 HydrophobicContact CG1-CG1 4.41Å
229	Q	84.8	Confident	82.9	Confident	101 Å²	101	31.1 Å²	31.1	47%	0.472	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	135.4	-176.9	-174.1	179.7	14.5	0	0	108.6	L227 G268 R269	L227-Q229 WeakPolarHBondContact CD1-O 3.47Å; Q229-G268 CarbonylContact O-C 3.54Å; Q229-G268 WeakPolarHBondContact O-CA 3.44Å; Q229-R269 PolarHBondContact N-O 3.23Å; Q229-R269 PolarHBondContact O-N 3.4Å
230	G	81.4	Confident	82.3	Confident	31 Å²	31	32.6 Å²	32.6	32%	0.32	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	146	178.2	0	0	0	0	0	112.1	S267	G230-S267 CarbonylContact C-O 3.53Å; G230-S267 WeakPolarHBondContact CA-O 3.03Å
231	N	79.8	Confident	81.4	Confident	106 Å²	106	34.1 Å²	34.1	57%	0.567	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	107	173.1	-72.6	-21	0	0	0	108.1	L233 G266 S267	N231-L233 PolarHBondContact O-N 2.77Å; N231-L233 VanDerWaalsContact O-N 3.14Å; N231-G266 VanDerWaalsContact O-CA 3.24Å; N231-G266 WeakPolarHBondContact O-CA 3.4Å; N231-S267 PolarHBondContact N-O 2.95Å; N231-S267 PolarHBondContact O-N 3.35Å; N231-S267 VanDerWaalsContact O-N 3.16Å
232	D	75.8	Confident	79.4	Confident	139 Å²	139	37 Å²	37	74%	0.743	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	45.8	42.7	179.9	-70.3	-36.8	0	0	0	114	K234 G266	D232-K234 PolarHBondContact O-N 3.21Å; D232-G266 WeakPolarHBondContact O-CA 3.14Å
233	L	77.8	Confident	77.9	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	126	-174	-172.4	68.8	0	0	0	111.4	I215 L227 N231 L235 K249 L257 V263 E265	I215-L233 HydrophobicContact CD1-CD1 4.08Å; I215-L233 HydrophobicContact CD1-CD2 3.54Å; I215-L233 HydrophobicContact CD1-CG 4.48Å; L227-L233 HydrophobicContact CD1-CD2 3.62Å; L227-L233 HydrophobicContact CD2-CD2 4.45Å; N231-L233 PolarHBondContact O-N 2.77Å; N231-L233 VanDerWaalsContact O-N 3.14Å; L233-L235 HydrophobicContact CD1-CD1 4.44Å; L233-L235 HydrophobicContact CD2-CD1 4.05Å; L233-L235 HydrophobicContact CG-CD1 3.85Å; L233-K249 HydrophobicContact CB-CB 4.47Å; L233-K249 HydrophobicContact CD2-CB 4.08Å; L233-K249 HydrophobicContact CG-CB 4.37Å; L233-K249 PolarHBondContact O-N 2.72Å; L233-L257 HydrophobicContact CD2-CD2 3.95Å; L233-V263 HydrophobicContact CD1-CG1 3.61Å; L233-E265 WeakPolarHBondContact CA-O 3.36Å
234	K	79.6	Confident	75.9	Confident	37 Å²	37	47.6 Å²	47.6	16%	0.161	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138.9	173.7	-57.5	-175	-170	158.3	0	111	D232 Q246 V247 R248 M264 E265	D232-K234 PolarHBondContact O-N 3.21Å; K234-Q246 HydrophobicContact CB-CB 4.48Å; K234-V247 WeakPolarHBondContact CA-O 3.34Å; K234-R248 HydrophobicContact CD-CG 4.3Å; K234-R248 HydrophobicContact CG-CG 4.01Å; K234-M264 PolarHBondContact O-N 3.11Å; K234-E265 HydrophobicContact CB-CB 4.16Å; K234-E265 HydrophobicContact CD-CB 4.27Å; K234-E265 HydrophobicContact CD-CG 4.49Å; K234-E265 WeakPolarHBondContact CD-OE2 3.33Å; K234-E265 VanDerWaalsContact CE-OE2 3.3Å; K234-E265 WeakPolarHBondContact CE-OE2 3.49Å; K234-E265 HydrophobicContact CG-CB 4.29Å; K234-E265 PolarHBondContact N-O 3.01Å; K234-E265 IonicContact NZ-OE2 3.76Å; K234-E265 PolarHBondContact NZ-OE2 3.33Å; K234-E265 PolarHBondContact O-N 3.16Å
235	L	80.6	Confident	74.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	151.4	178.3	-68.2	94.9	0	0	0	112.1	L221 L233 Q246 V247 K249 L257 T261 H262 V263	L221-L235 HydrophobicContact CD1-CD2 3.52Å; L221-L235 HydrophobicContact CG-CD2 4.11Å; L233-L235 HydrophobicContact CD1-CD1 4.44Å; L233-L235 HydrophobicContact CD2-CD1 4.05Å; L233-L235 HydrophobicContact CG-CD1 3.85Å; L235-Q246 WeakPolarHBondContact O-CA 3.27Å; L235-V247 PolarHBondContact N-O 3.1Å; L235-V247 PolarHBondContact O-N 3.03Å; L235-K249 HydrophobicContact CD1-CB 4.21Å; L235-K249 HydrophobicContact CD1-CD 4.4Å; L235-K249 HydrophobicContact CD1-CG 3.31Å; L235-L257 HydrophobicContact CD1-CD2 3.47Å; L235-L257 VanDerWaalsContact CD1-CD2 3.47Å; L235-L257 HydrophobicContact CD2-CD2 3.72Å; L235-L257 HydrophobicContact CG-CD2 4.29Å; L235-T261 WeakPolarHBondContact CD2-OG1 3.38Å; L235-H262 CarbonylContact C-O 3.59Å; L235-H262 WeakPolarHBondContact CA-O 3.42Å; L235-H262 WeakPolarHBondContact CB-O 3.29Å; L235-V263 HydrophobicContact CD2-CG2 4.15Å; L235-V263 HydrophobicContact CG-CG2 4.36Å
236	D	75.1	Confident	73.1	Confident	33 Å²	33	58.2 Å²	58.2	18%	0.176	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	113.9	165.4	179.5	6.7	0	0	0	108.7	S238 T261 H262 M264	D236-S238 VanDerWaalsContact CG-OG 3.24Å; D236-S238 WeakPolarHBondContact OD1-CB 3.33Å; D236-S238 PolarHBondContact OD1-N 3.24Å; D236-S238 PolarHBondContact OD1-OG 2.86Å; D236-S238 PolarHBondContact OD2-OG 2.68Å; D236-T261 VanDerWaalsContact O-CB 3.3Å; D236-T261 WeakPolarHBondContact O-CB 3.4Å; D236-H262 HydrophobicContact CB-CB 4.44Å; D236-H262 PolarHBondContact N-O 2.83Å; D236-H262 PolarHBondContact O-N 2.73Å; D236-M264 HydrophobicContact CB-CG 3.51Å; D236-M264 HydrophobicContact CB-SD 3.97Å
237	E	78.8	Confident	72.5	Confident	7 Å²	7	60.4 Å²	60.4	3%	0.033	35%	0.353	C	S	.	.			trans	-102.9	11.7	179.3	-55.3	-162.6	154.8	0	0	112.4	S239 L240 T241 V247 K249 T261	E237-S239 PolarHBondContact O-N 2.86Å; E237-S239 VanDerWaalsContact O-N 3.16Å; E237-L240 PolarHBondContact O-N 3.25Å; E237-T241 HydrophobicContact CB-CG2 4.2Å; E237-T241 PolarHBondContact O-N 2.98Å; E237-T241 PolarHBondContact O-OG1 3.02Å; E237-T241 VanDerWaalsContact O-OG1 3.13Å; E237-V247 HydrophobicContact CG-CG2 4.21Å; E237-K249 WeakPolarHBondContact OE1-CE 3.18Å; E237-K249 IonicContact OE1-NZ 2.92Å; E237-K249 PolarHBondContact OE1-NZ 2.89Å; E237-K249 IonicContact OE2-NZ 2.67Å; E237-T261 HydrophobicContact CB-CG2 4.2Å; E237-T261 HydrophobicContact CG-CG2 4.02Å
238	S	65.1	Low	72	Confident	33 Å²	33	68.8 Å²	68.8	23%	0.231	38%	0.384	C	S	.	.	H	α-helix	trans	-58.4	-32.2	-173.7	56.6	0	0	0	0	113.8	D236 L240 G242 E243	D236-S238 VanDerWaalsContact CG-OG 3.24Å; D236-S238 WeakPolarHBondContact OD1-CB 3.33Å; D236-S238 PolarHBondContact OD1-N 3.24Å; D236-S238 PolarHBondContact OD1-OG 2.86Å; D236-S238 PolarHBondContact OD2-OG 2.68Å; S238-L240 PolarHBondContact O-N 2.89Å; S238-G242 VanDerWaalsContact O-CA 3.24Å; S238-G242 WeakPolarHBondContact O-CA 3.36Å; S238-G242 PolarHBondContact O-N 2.83Å; S238-E243 WeakPolarHBondContact CA-O 3.39Å; S238-E243 VanDerWaalsContact CB-O 3.26Å; S238-E243 WeakPolarHBondContact CB-O 3.48Å
239	S	61.2	Low	71.9	Confident	79 Å²	79	68.3 Å²	68.3	55%	0.552	38%	0.381	S	S	*	.	H	α-helix	trans	-60.4	-23.1	173.4	-58	0	0	0	0	114.3	E237	E237-S239 PolarHBondContact O-N 2.86Å; E237-S239 VanDerWaalsContact O-N 3.16Å
240	L	67.6	Low	71.9	Confident	43 Å²	43	65.5 Å²	65.5	23%	0.225	37%	0.373	C	S	.	.	H	α-helix	trans	-111.2	-41.2	-176.8	-69.8	173.9	0	0	0	112.9	E237 S238 L258 T261 I284	E237-L240 PolarHBondContact O-N 3.25Å; S238-L240 PolarHBondContact O-N 2.89Å; L240-L258 HydrophobicContact CD1-CB 3.6Å; L240-L258 HydrophobicContact CD1-CD1 3.72Å; L240-L258 HydrophobicContact CD1-CG 4.29Å; L240-T261 HydrophobicContact CD1-CG2 3.66Å; L240-T261 HydrophobicContact CG-CG2 4.42Å; L240-I284 HydrophobicContact CD2-CD1 3.54Å
241	T	65.8	Low	71.9	Confident	68 Å²	68	67.7 Å²	67.7	42%	0.417	38%	0.377	S	S	.	.	H	α-helix	trans	-97	-20.6	-175.6	63.4	0	0	0	0	112.8	E237 E243	E237-T241 HydrophobicContact CB-CG2 4.2Å; E237-T241 PolarHBondContact O-N 2.98Å; E237-T241 PolarHBondContact O-OG1 3.02Å; E237-T241 VanDerWaalsContact O-OG1 3.13Å; T241-E243 PolarHBondContact O-N 3.24Å; T241-E243 PolarHBondContact OG1-N 2.83Å
242	G	49.8	Very low	72	Confident	62 Å²	62	69.2 Å²	69.2	64%	0.639	39%	0.385	S	S	*	.	S	Bend	trans	75.8	-4.4	-170	0	0	0	0	0	114.2	S238	S238-G242 VanDerWaalsContact O-CA 3.24Å; S238-G242 WeakPolarHBondContact O-CA 3.36Å; S238-G242 PolarHBondContact O-N 2.83Å
243	E	58.4	Low	72.2	Confident	135 Å²	135	70.1 Å²	70.1	63%	0.631	38%	0.383	S	S	*	.			trans	-89.7	125.6	177.3	-63.9	-177.5	169.9	0	0	109.8	S238 T241 D245	S238-E243 WeakPolarHBondContact CA-O 3.39Å; S238-E243 VanDerWaalsContact CB-O 3.26Å; S238-E243 WeakPolarHBondContact CB-O 3.48Å; T241-E243 PolarHBondContact O-N 3.24Å; T241-E243 PolarHBondContact OG1-N 2.83Å; E243-D245 VanDerWaalsContact C-N 3.28Å; E243-D245 PolarHBondContact O-N 3.42Å
244	S	50.5	Low	72.7	Confident	100 Å²	100	70.3 Å²	70.3	70%	0.699	38%	0.384	S	S	*	.			trans	-84.7	1.8	-176.1	-48.1	0	0	0	0	114.3
245	D	57	Low	73.2	Confident	132 Å²	132	68.8 Å²	68.8	71%	0.706	38%	0.377	S	S	*	.	S	Bend	trans	-79.6	140.3	-177.9	-74.4	-24.4	0	0	0	111.3	E243 V247	E243-D245 VanDerWaalsContact C-N 3.28Å; E243-D245 PolarHBondContact O-N 3.42Å; D245-V247 PolarHBondContact O-N 3.43Å
246	Q	72.1	Confident	73.7	Confident	91 Å²	91	68.8 Å²	68.8	43%	0.425	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	123	179.1	-64.5	178.2	-1.2	0	0	110.8	K234 L235 M264	K234-Q246 HydrophobicContact CB-CB 4.48Å; L235-Q246 WeakPolarHBondContact O-CA 3.27Å; Q246-M264 HydrophobicContact CG-CB 4.38Å; Q246-M264 HydrophobicContact CG-CG 4.48Å
247	V	80.7	Confident	74.5	Confident	46 Å²	46	67.2 Å²	67.2	28%	0.279	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.9	178.8	-174.1	0	0	0	0	109.5	K234 L235 E237 D245 K249	K234-V247 WeakPolarHBondContact CA-O 3.34Å; L235-V247 PolarHBondContact N-O 3.1Å; L235-V247 PolarHBondContact O-N 3.03Å; E237-V247 HydrophobicContact CG-CG2 4.21Å; D245-V247 PolarHBondContact O-N 3.43Å; V247-K249 HydrophobicContact CG1-CD 4.32Å
248	R	82.3	Confident	75	Confident	178 Å²	178	66.9 Å²	66.9	67%	0.672	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	131.1	173.4	-70.2	-174.5	-175.8	-148.1	3.3	110	K234	K234-R248 HydrophobicContact CD-CG 4.3Å; K234-R248 HydrophobicContact CG-CG 4.01Å
249	K	85.9	Confident	76.2	Confident	10 Å²	10	65.9 Å²	65.9	4%	0.043	36%	0.36	C	S	.	.			trans	-108.3	132.9	175.4	-59	-58	179.1	161.2	0	111.3	L227 L233 L235 E237 V247 D254 M256 L257	L227-K249 HydrophobicContact CD2-CB 4.37Å; L233-K249 HydrophobicContact CB-CB 4.47Å; L233-K249 HydrophobicContact CD2-CB 4.08Å; L233-K249 HydrophobicContact CG-CB 4.37Å; L233-K249 PolarHBondContact O-N 2.72Å; L235-K249 HydrophobicContact CD1-CB 4.21Å; L235-K249 HydrophobicContact CD1-CD 4.4Å; L235-K249 HydrophobicContact CD1-CG 3.31Å; E237-K249 WeakPolarHBondContact OE1-CE 3.18Å; E237-K249 IonicContact OE1-NZ 2.92Å; E237-K249 PolarHBondContact OE1-NZ 2.89Å; E237-K249 IonicContact OE2-NZ 2.67Å; V247-K249 HydrophobicContact CG1-CD 4.32Å; K249-D254 WeakPolarHBondContact CA-O 3.22Å; K249-D254 WeakPolarHBondContact CB-O 3.41Å; K249-D254 HydrophobicContact CD-CB 4.13Å; K249-D254 WeakPolarHBondContact CD-O 3.27Å; K249-D254 IonicContact NZ-OD1 3.6Å; K249-D254 IonicContact NZ-OD2 2.95Å; K249-D254 PolarHBondContact NZ-OD2 3.48Å; K249-M256 VanDerWaalsContact CE-O 3.32Å; K249-M256 WeakPolarHBondContact CE-O 3.21Å; K249-M256 PolarHBondContact NZ-O 2.99Å; K249-L257 HydrophobicContact CG-CD2 4.13Å
250	S	84.8	Confident	77.2	Confident	42 Å²	42	63.1 Å²	63.1	29%	0.294	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-150.6	159.3	174.1	71.1	0	0	0	0	109.7	D252 K253 D254	S250-D252 PolarHBondContact O-N 3.5Å; S250-K253 PolarHBondContact O-N 3.3Å; S250-K253 PolarHBondContact OG-N 3.16Å; S250-D254 PolarHBondContact N-O 3.28Å; S250-D254 CarbonylContact O-C 3.1Å; S250-D254 PolarHBondContact O-N 2.97Å; S250-D254 VanDerWaalsContact O-N 3.11Å; S250-D254 VanDerWaalsContact O-O 3.12Å
251	L	82	Confident	78	Confident	78 Å²	78	61 Å²	61	41%	0.408	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-34.1	178.1	-71.8	155.7	0	0	0	112.2	L227	L227-L251 WeakPolarHBondContact O-CD2 3.45Å
252	D	80.1	Confident	78.7	Confident	138 Å²	138	58.6 Å²	58.6	74%	0.738	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-21.6	-172.7	-43	-63.9	0	0	0	114.5	S250	S250-D252 PolarHBondContact O-N 3.5Å
253	K	81	Confident	80.2	Confident	158 Å²	158	55.6 Å²	55.6	69%	0.687	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-53.4	-176.2	-81.5	-170.9	173.1	-173.6	0	113.2	S38 S250	S38-K253 CarbonylContact C-O 3.5Å; S38-K253 WeakPolarHBondContact CA-O 3.42Å; S250-K253 PolarHBondContact O-N 3.3Å; S250-K253 PolarHBondContact OG-N 3.16Å
254	D	87.3	Confident	80.8	Confident	7 Å²	7	50.9 Å²	50.9	4%	0.037	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-154.3	94.5	-175.7	-172.3	8.9	0	0	0	109.8	K249 S250 M256	K249-D254 WeakPolarHBondContact CA-O 3.22Å; K249-D254 WeakPolarHBondContact CB-O 3.41Å; K249-D254 HydrophobicContact CD-CB 4.13Å; K249-D254 WeakPolarHBondContact CD-O 3.27Å; K249-D254 IonicContact NZ-OD1 3.6Å; K249-D254 IonicContact NZ-OD2 2.95Å; K249-D254 PolarHBondContact NZ-OD2 3.48Å; S250-D254 PolarHBondContact N-O 3.28Å; S250-D254 CarbonylContact O-C 3.1Å; S250-D254 PolarHBondContact O-N 2.97Å; S250-D254 VanDerWaalsContact O-N 3.11Å; S250-D254 VanDerWaalsContact O-O 3.12Å; D254-M256 VanDerWaalsContact C-N 3.33Å; D254-M256 PolarHBondContact OD1-N 3.42Å
255	P	90.2	Very high	81.9	Confident	4 Å²	4	50.1 Å²	50.1	3%	0.026	25%	0.25	C	S	.	.			trans	-87.7	0.5	179.8	25.9	-20.7	0	0	0	113	V42 I45 I226 L227	V42-P255 HydrophobicContact CG2-CG 4.11Å; I45-P255 HydrophobicContact CD1-CG 4.18Å; I226-P255 HydrophobicContact CG2-CB 4.27Å; L227-P255 HydrophobicContact CB-CB 4.12Å; L227-P255 WeakPolarHBondContact CB-O 3.29Å; L227-P255 PolarHBondContact N-O 2.86Å
256	M	91.2	Very high	82.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	132.1	-174.4	-60.6	-59.6	95.7	0	0	111.5	M34 A41 I45 I226 K249 D254	M34-M256 HydrophobicContact CE-CE 4.47Å; M34-M256 HydrophobicContact CE-SD 3.44Å; M34-M256 WeakPolarHBondContact CE-SD 3.42Å; M34-M256 HydrophobicContact SD-SD 4.4Å; A41-M256 HydrophobicContact CB-CE 4.41Å; A41-M256 HydrophobicContact CB-CG 3.73Å; A41-M256 HydrophobicContact CB-SD 4.23Å; I45-M256 HydrophobicContact CD1-CE 3.46Å; I45-M256 VanDerWaalsContact CD1-CE 3.46Å; I226-M256 HydrophobicContact CB-CE 4.18Å; I226-M256 HydrophobicContact CD1-CE 4.32Å; I226-M256 HydrophobicContact CG1-CE 3.72Å; I226-M256 HydrophobicContact CG1-SD 4.32Å; I226-M256 HydrophobicContact CG2-CE 3.78Å; K249-M256 VanDerWaalsContact CE-O 3.32Å; K249-M256 WeakPolarHBondContact CE-O 3.21Å; K249-M256 PolarHBondContact NZ-O 2.99Å; D254-M256 VanDerWaalsContact C-N 3.33Å; D254-M256 PolarHBondContact OD1-N 3.42Å
257	L	91.9	Very high	83.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.1	179.2	-67.3	163	0	0	0	108.6	I215 L221 D224 G225 L227 L233 L235 K249 M270	I215-L257 HydrophobicContact CD1-CD1 3.73Å; I215-L257 HydrophobicContact CD1-CD2 4.18Å; L221-L257 HydrophobicContact CD1-CB 3.71Å; L221-L257 HydrophobicContact CD1-CD2 4.1Å; L221-L257 HydrophobicContact CD1-CG 4.45Å; D224-L257 CarbonylContact C-O 3.51Å; D224-L257 WeakPolarHBondContact CA-O 3.34Å; G225-L257 PolarHBondContact N-O 2.98Å; G225-L257 WeakPolarHBondContact O-CB 3.3Å; G225-L257 PolarHBondContact O-N 3.19Å; L227-L257 HydrophobicContact CB-CD1 4.08Å; L227-L257 HydrophobicContact CD1-CD1 3.99Å; L233-L257 HydrophobicContact CD2-CD2 3.95Å; L235-L257 HydrophobicContact CD1-CD2 3.47Å; L235-L257 VanDerWaalsContact CD1-CD2 3.47Å; L235-L257 HydrophobicContact CD2-CD2 3.72Å; L235-L257 HydrophobicContact CG-CD2 4.29Å; K249-L257 HydrophobicContact CG-CD2 4.13Å; L257-M270 HydrophobicContact CB-SD 3.91Å; L257-M270 HydrophobicContact CD1-CB 3.42Å; L257-M270 VanDerWaalsContact CD1-CB 3.42Å; L257-M270 HydrophobicContact CD1-CG 4.11Å; L257-M270 HydrophobicContact CD1-SD 3.68Å; L257-M270 HydrophobicContact CG-SD 4.44Å
258	L	90.8	Very high	83.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.			trans	-112.8	136.2	-167.5	-54.6	170.7	0	0	0	111.2	R37 L221 L240 T261 Q280	R37-L258 VanDerWaalsContact CZ-CD1 3.46Å; L221-L258 WeakPolarHBondContact CB-O 3.47Å; L240-L258 HydrophobicContact CD1-CB 3.6Å; L240-L258 HydrophobicContact CD1-CD1 3.72Å; L240-L258 HydrophobicContact CD1-CG 4.29Å; L258-T261 HydrophobicContact CB-CG2 3.82Å; L258-T261 WeakPolarHBondContact O-CB 3.04Å; L258-T261 WeakPolarHBondContact O-CG2 3.43Å; L258-T261 PolarHBondContact O-N 2.92Å; L258-T261 PolarHBondContact O-OG1 2.88Å; L258-Q280 HydrophobicContact CD2-CG 4.15Å
259	S	89.5	Confident	83.8	Confident	13 Å²	13	36.3 Å²	36.3	9%	0.091	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	137.3	172.6	-171	0	0	0	0	109.8	L221 P222 A223 D224 T261 T281	L221-S259 CarbonylContact O-C 3.59Å; L221-S259 WeakPolarHBondContact O-CA 3.48Å; P222-S259 PolarHBondContact O-OG 2.87Å; A223-S259 PolarHBondContact N-OG 3.33Å; D224-S259 WeakPolarHBondContact OD1-CA 3.44Å; D224-S259 WeakPolarHBondContact OD1-CB 3.25Å; D224-S259 PolarHBondContact OD1-N 3.37Å; S259-T261 VanDerWaalsContact C-N 3.34Å; S259-T281 PolarHBondContact O-OG1 2.73Å
260	G	82.3	Confident	84.2	Confident	20 Å²	20	35.9 Å²	35.9	21%	0.206	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	-0.5	-177.7	0	0	0	0	0	114.6	L221	L221-G260 PolarHBondContact O-N 3.45Å
261	T	85.5	Confident	84.7	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.			trans	-99.1	156.8	174.5	67	0	0	0	0	111.5	L221 L235 D236 E237 L240 L258 S259	L221-T261 PolarHBondContact N-O 2.78Å; L235-T261 WeakPolarHBondContact CD2-OG1 3.38Å; D236-T261 VanDerWaalsContact O-CB 3.3Å; D236-T261 WeakPolarHBondContact O-CB 3.4Å; E237-T261 HydrophobicContact CB-CG2 4.2Å; E237-T261 HydrophobicContact CG-CG2 4.02Å; L240-T261 HydrophobicContact CD1-CG2 3.66Å; L240-T261 HydrophobicContact CG-CG2 4.42Å; L258-T261 HydrophobicContact CB-CG2 3.82Å; L258-T261 WeakPolarHBondContact O-CB 3.04Å; L258-T261 WeakPolarHBondContact O-CG2 3.43Å; L258-T261 PolarHBondContact O-N 2.92Å; L258-T261 PolarHBondContact O-OG1 2.88Å; S259-T261 VanDerWaalsContact C-N 3.34Å
262	H	79.8	Confident	85.3	Confident	16 Å²	16	30.2 Å²	30.2	7%	0.074	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.2	-174.4	-62.4	-74	0	0	0	112.1	L220 L235 D236 M264 V816 E819	L220-H262 VanDerWaalsContact CD1-CE1 3.5Å; L220-H262 WeakPolarHBondContact CD1-CE1 3.48Å; L235-H262 CarbonylContact C-O 3.59Å; L235-H262 WeakPolarHBondContact CA-O 3.42Å; L235-H262 WeakPolarHBondContact CB-O 3.29Å; D236-H262 HydrophobicContact CB-CB 4.44Å; D236-H262 PolarHBondContact N-O 2.83Å; D236-H262 PolarHBondContact O-N 2.73Å; H262-M264 HydrophobicContact CB-SD 4.22Å; H262-M264 PolarHBondContact O-N 3.28Å; H262-V816 HydrophobicContact CB-CG2 3.82Å; H262-V816 WeakPolarHBondContact ND1-CG2 3.23Å; H262-E819 IonicContact CE1-OE2 3.77Å; H262-E819 PolarHBondContact CE1-OE2 2.7Å; H262-E819 IonicContact NE2-OE2 2.62Å
263	V	80.7	Confident	85.9	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	110.7	173.1	-174	0	0	0	0	109.8	I215 K216 G218 D219 L221 L233 L235	I215-V263 HydrophobicContact CB-CG2 4.48Å; K216-V263 WeakPolarHBondContact O-CB 3.26Å; G218-V263 PolarHBondContact N-O 2.93Å; D219-V263 HydrophobicContact CB-CG2 4.43Å; D219-V263 PolarHBondContact O-N 2.98Å; L221-V263 HydrophobicContact CD2-CG2 4.06Å; L233-V263 HydrophobicContact CD1-CG1 3.61Å; L235-V263 HydrophobicContact CD2-CG2 4.15Å; L235-V263 HydrophobicContact CG-CG2 4.36Å
264	M	71.9	Confident	86.5	Confident	36 Å²	36	16.4 Å²	16.4	18%	0.177	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-27.2	-175.9	-62.7	-53.9	-76.2	0	0	113.5	Y217 K234 D236 Q246 H262	Y217-M264 WeakPolarHBondContact CD2-O 3.26Å; Y217-M264 WeakPolarHBondContact CE2-O 3.31Å; K234-M264 PolarHBondContact O-N 3.11Å; D236-M264 HydrophobicContact CB-CG 3.51Å; D236-M264 HydrophobicContact CB-SD 3.97Å; Q246-M264 HydrophobicContact CG-CB 4.38Å; Q246-M264 HydrophobicContact CG-CG 4.48Å; H262-M264 HydrophobicContact CB-SD 4.22Å; H262-M264 PolarHBondContact O-N 3.28Å
265	E	72.9	Confident	86.7	Confident	84 Å²	84	16.1 Å²	16.1	39%	0.393	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	155.3	174.4	-63.5	-174.8	173.9	0	0	110.4	L233 K234	L233-E265 WeakPolarHBondContact CA-O 3.36Å; K234-E265 HydrophobicContact CB-CB 4.16Å; K234-E265 HydrophobicContact CD-CB 4.27Å; K234-E265 HydrophobicContact CD-CG 4.49Å; K234-E265 WeakPolarHBondContact CD-OE2 3.33Å; K234-E265 VanDerWaalsContact CE-OE2 3.3Å; K234-E265 WeakPolarHBondContact CE-OE2 3.49Å; K234-E265 HydrophobicContact CG-CB 4.29Å; K234-E265 PolarHBondContact N-O 3.01Å; K234-E265 IonicContact NZ-OE2 3.76Å; K234-E265 PolarHBondContact NZ-OE2 3.33Å; K234-E265 PolarHBondContact O-N 3.16Å
266	G	74.9	Confident	86.7	Confident	28 Å²	28	16 Å²	16	29%	0.289	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	83.2	-165.6	173.1	0	0	0	0	0	115.2	Y217 N231 D232	Y217-G266 PolarHBondContact N-O 2.74Å; N231-G266 VanDerWaalsContact O-CA 3.24Å; N231-G266 WeakPolarHBondContact O-CA 3.4Å; D232-G266 WeakPolarHBondContact O-CA 3.14Å
267	S	81.1	Confident	86.5	Confident	49 Å²	49	19.5 Å²	19.5	34%	0.343	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	160.8	177.4	59.2	0	0	0	0	110.7	I215 G230 N231	I215-S267 CarbonylContact O-C 3.55Å; I215-S267 WeakPolarHBondContact O-CA 3.1Å; I215-S267 WeakPolarHBondContact O-CB 3.46Å; G230-S267 CarbonylContact C-O 3.53Å; G230-S267 WeakPolarHBondContact CA-O 3.03Å; N231-S267 PolarHBondContact N-O 2.95Å; N231-S267 PolarHBondContact O-N 3.35Å; N231-S267 VanDerWaalsContact O-N 3.16Å
268	G	86.6	Confident	86.3	Confident	9 Å²	9	21 Å²	21	9%	0.093	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	-174.3	179.9	0	0	0	0	0	114.3	I215 Q229	I215-G268 VanDerWaalsContact CG1-C 3.48Å; I215-G268 WeakPolarHBondContact CG1-O 3.38Å; I215-G268 PolarHBondContact N-O 3.44Å; I215-G268 PolarHBondContact O-N 3.31Å; Q229-G268 CarbonylContact O-C 3.54Å; Q229-G268 WeakPolarHBondContact O-CA 3.44Å
269	R	90.3	Very high	86.3	Confident	70 Å²	70	21 Å²	21	26%	0.264	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.1	172.1	-64.2	-178.5	-177.2	-169.8	1.6	108.4	I212 A213 I228 Q229	I212-R269 HydrophobicContact CG2-CB 4.48Å; A213-R269 WeakPolarHBondContact O-CA 3.49Å; I228-R269 PolarHBondContact N-O 2.96Å; Q229-R269 PolarHBondContact N-O 3.23Å; Q229-R269 PolarHBondContact O-N 3.4Å
270	M	93.9	Very high	86	Confident	1 Å²	1	21.7 Å²	21.7	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	148.3	175.9	71.6	176.7	-172	0	0	111.3	I212 A213 I215 L221 I226 L257	I212-M270 CarbonylContact C-O 3.56Å; I212-M270 WeakPolarHBondContact CA-O 3.18Å; A213-M270 HydrophobicContact CB-CE 3.69Å; A213-M270 HydrophobicContact CB-CG 3.77Å; A213-M270 PolarHBondContact N-O 2.68Å; A213-M270 PolarHBondContact O-N 2.98Å; I215-M270 HydrophobicContact CG2-CE 4.21Å; I215-M270 HydrophobicContact CG2-CG 4.21Å; I215-M270 HydrophobicContact CG2-SD 4.11Å; L221-M270 HydrophobicContact CD1-SD 4.45Å; L221-M270 HydrophobicContact CD2-CE 4.21Å; L221-M270 HydrophobicContact CD2-SD 4.42Å; I226-M270 CarbonylContact O-C 3.57Å; I226-M270 WeakPolarHBondContact O-CA 3.49Å; I226-M270 WeakPolarHBondContact O-CB 3.37Å; L257-M270 HydrophobicContact CB-SD 3.91Å; L257-M270 HydrophobicContact CD1-CB 3.42Å; L257-M270 VanDerWaalsContact CD1-CB 3.42Å; L257-M270 HydrophobicContact CD1-CG 4.11Å; L257-M270 HydrophobicContact CD1-SD 3.68Å; L257-M270 HydrophobicContact CG-SD 4.44Å
271	V	94.9	Very high	86	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	130.2	164.7	57	0	0	0	0	108.7	V52 L59 I212 G225 I226 I228 S273	V52-V271 HydrophobicContact CG1-CG1 4.29Å; L59-V271 HydrophobicContact CD1-CG2 4.02Å; I212-V271 HydrophobicContact CD1-CB 3.92Å; I212-V271 HydrophobicContact CD1-CG2 4.11Å; G225-V271 CarbonylContact C-O 3.43Å; G225-V271 WeakPolarHBondContact CA-O 3.48Å; I226-V271 HydrophobicContact CB-CG1 3.94Å; I226-V271 PolarHBondContact N-O 3.34Å; I226-V271 PolarHBondContact O-N 3.39Å; I228-V271 HydrophobicContact CD1-CB 4.01Å; I228-V271 HydrophobicContact CD1-CG1 4.5Å; I228-V271 HydrophobicContact CG1-CB 4.45Å; I228-V271 HydrophobicContact CG1-CG1 4.41Å; V271-S273 PolarHBondContact O-N 3.06Å
272	V	95.5	Very high	85.8	Confident	1 Å²	1	22.6 Å²	22.6	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	125	177.3	178.7	0	0	0	0	109.5	I207 G210 D211 A213 A223 V275	I207-V272 HydrophobicContact CG2-CG1 4.13Å; I207-V272 HydrophobicContact CG2-CG2 3.92Å; G210-V272 PolarHBondContact N-O 2.98Å; D211-V272 HydrophobicContact CB-CG2 4.08Å; D211-V272 PolarHBondContact O-N 3.4Å; A213-V272 HydrophobicContact CB-CG2 4.26Å; A223-V272 HydrophobicContact CB-CG1 3.77Å; V272-V275 HydrophobicContact CG1-CG1 3.55Å
273	S	92.1	Very high	85.8	Confident	2 Å²	2	23.5 Å²	23.5	1%	0.014	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-37.9	-176	-64.2	0	0	0	0	113	V209 D224 I226 V271	V209-S273 WeakPolarHBondContact CG2-O 3.45Å; D224-S273 PolarHBondContact O-N 2.54Å; I226-S273 WeakPolarHBondContact CG1-OG 3.48Å; V271-S273 PolarHBondContact O-N 3.06Å
274	A	92.6	Very high	85.6	Confident	4 Å²	4	26.9 Å²	26.9	3%	0.033	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142.1	177.4	0	0	0	0	0	111.8	M34 D224	M34-A274 HydrophobicContact CG-CB 4.26Å; D224-A274 HydrophobicContact CB-CB 4.17Å; D224-A274 PolarHBondContact N-O 3.15Å; D224-A274 PolarHBondContact O-N 2.98Å
275	V	93.3	Very high	85.5	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.006	17%	0.165	C	C	.	.			trans	-131.1	154.3	-175	-63.9	0	0	0	0	111.7	N84 I207 V209 A223 V272 L277 N278	N84-V275 HydrophobicContact CB-CB 3.79Å; N84-V275 HydrophobicContact CB-CG1 4.21Å; N84-V275 HydrophobicContact CB-CG2 4.48Å; I207-V275 HydrophobicContact CG2-CG1 4.41Å; V209-V275 HydrophobicContact CG2-CG1 4.16Å; V209-V275 HydrophobicContact CG2-CG2 4.08Å; A223-V275 HydrophobicContact CB-CG1 3.93Å; V272-V275 HydrophobicContact CG1-CG1 3.55Å; V275-L277 PolarHBondContact O-N 3.09Å; V275-N278 WeakPolarHBondContact O-CB 3.03Å; V275-N278 PolarHBondContact O-N 3.41Å; V275-N278 VanDerWaalsContact O-N 3.11Å
276	G	88.6	Confident	85.5	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.01	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	57.3	-132.2	173.5	0	0	0	0	0	113.1	N84 N278 S279	N84-G276 PolarHBondContact OD1-N 3.34Å; G276-N278 PolarHBondContact O-N 3.1Å; G276-S279 WeakPolarHBondContact O-CB 3.45Å; G276-S279 PolarHBondContact O-N 2.89Å; G276-S279 VanDerWaalsContact O-N 3.1Å; G276-S279 PolarHBondContact O-OG 3.29Å
277	L	86.6	Confident	85.4	Confident	74 Å²	74	34.1 Å²	34.1	39%	0.387	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-60	-15.8	178.7	-66.3	175.3	0	0	0	114.2	I86 P87 V275 T286	I86-L277 HydrophobicContact CG2-CD2 4.23Å; P87-L277 HydrophobicContact CG-CD1 4.49Å; V275-L277 PolarHBondContact O-N 3.09Å; L277-T286 WeakPolarHBondContact CD2-OG1 3.33Å
278	N	89.5	Confident	84.5	Confident	32 Å²	32	37.2 Å²	37.2	17%	0.171	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-92.1	-12.1	-178.4	-57.1	-33.6	0	0	0	112.8	M27 F81 V275 G276	M27-N278 HydrophobicContact CE-CB 3.89Å; M27-N278 VanDerWaalsContact CE-ND2 3.26Å; M27-N278 WeakPolarHBondContact CE-ND2 3.47Å; M27-N278 WeakPolarHBondContact CE-OD1 3.45Å; F81-N278 PolarHBondContact O-ND2 2.85Å; V275-N278 WeakPolarHBondContact O-CB 3.03Å; V275-N278 PolarHBondContact O-N 3.41Å; V275-N278 VanDerWaalsContact O-N 3.11Å; G276-N278 PolarHBondContact O-N 3.1Å
279	S	89.5	Confident	83	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.007	21%	0.207	C	C	.	.	S	Bend	trans	-72.6	158.8	171.6	67.7	0	0	0	0	111.5	D224 G276 T281 G282 I283	D224-S279 WeakPolarHBondContact OD2-CA 3.33Å; G276-S279 WeakPolarHBondContact O-CB 3.45Å; G276-S279 PolarHBondContact O-N 2.89Å; G276-S279 VanDerWaalsContact O-N 3.1Å; G276-S279 PolarHBondContact O-OG 3.29Å; S279-T281 VanDerWaalsContact C-N 3.3Å; S279-T281 PolarHBondContact O-N 2.84Å; S279-G282 PolarHBondContact O-N 2.86Å; S279-G282 PolarHBondContact OG-N 3.2Å; S279-I283 VanDerWaalsContact O-CG1 3.26Å; S279-I283 WeakPolarHBondContact O-CG1 3.46Å; S279-I283 PolarHBondContact O-N 2.84Å
280	Q	83.1	Confident	80.9	Confident	26 Å²	26	37.9 Å²	37.9	12%	0.121	21%	0.212	C	C	.	.	H	α-helix	trans	-55.7	-45.4	176.1	-68.2	-58.9	-42.6	0	0	111.9	M34 D224 L258 G282 I283 I284	M34-Q280 HydrophobicContact CB-CG 4.3Å; M34-Q280 PolarHBondContact O-NE2 3.22Å; D224-Q280 PolarHBondContact OD2-N 2.97Å; L258-Q280 HydrophobicContact CD2-CG 4.15Å; Q280-G282 PolarHBondContact O-N 3.1Å; Q280-I283 PolarHBondContact O-N 3.38Å; Q280-I284 WeakPolarHBondContact O-CG1 3.46Å; Q280-I284 PolarHBondContact O-N 3.19Å
281	T	82.3	Confident	78.2	Confident	40 Å²	40	41 Å²	41	25%	0.245	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-42.3	174.4	-71	0	0	0	0	112.2	S259 S279 I283 I284 F285	S259-T281 PolarHBondContact O-OG1 2.73Å; S279-T281 VanDerWaalsContact C-N 3.3Å; S279-T281 PolarHBondContact O-N 2.84Å; T281-I283 PolarHBondContact O-N 2.62Å; T281-I284 PolarHBondContact O-N 3.13Å; T281-F285 WeakPolarHBondContact O-CB 3.41Å; T281-F285 PolarHBondContact O-N 3.1Å
282	G	81.1	Confident	75.5	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.6	-37.4	177.2	0	0	0	0	0	113.7	S279 Q280 T286	S279-G282 PolarHBondContact O-N 2.86Å; S279-G282 PolarHBondContact OG-N 3.2Å; Q280-G282 PolarHBondContact O-N 3.1Å; G282-T286 WeakPolarHBondContact O-CB 3.4Å; G282-T286 PolarHBondContact O-N 2.77Å; G282-T286 PolarHBondContact O-OG1 3.19Å
283	I	81.4	Confident	72.5	Confident	34 Å²	34	52 Å²	52	17%	0.174	29%	0.285	C	S	.	.	H	α-helix	trans	-65.6	-49.2	175.9	-63.1	159.4	0	0	0	110	K31 S279 Q280 T281 F285 T286 L287	K31-I283 HydrophobicContact CD-CD1 4.42Å; K31-I283 HydrophobicContact CG-CD1 4.39Å; S279-I283 VanDerWaalsContact O-CG1 3.26Å; S279-I283 WeakPolarHBondContact O-CG1 3.46Å; S279-I283 PolarHBondContact O-N 2.84Å; Q280-I283 PolarHBondContact O-N 3.38Å; T281-I283 PolarHBondContact O-N 2.62Å; I283-F285 VanDerWaalsContact C-N 3.33Å; I283-F285 PolarHBondContact O-N 3.15Å; I283-T286 PolarHBondContact O-N 3.13Å; I283-L287 HydrophobicContact CG2-CD1 4.09Å; I283-L287 WeakPolarHBondContact O-CG 3.44Å; I283-L287 PolarHBondContact O-N 3.39Å
284	I	76.6	Confident	69.6	Low	71 Å²	71	56.4 Å²	56.4	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-58.5	-46.2	177.6	-67	165.6	0	0	0	110.3	L240 Q280 T281 T286 L287 L288	L240-I284 HydrophobicContact CD2-CD1 3.54Å; Q280-I284 WeakPolarHBondContact O-CG1 3.46Å; Q280-I284 PolarHBondContact O-N 3.19Å; T281-I284 PolarHBondContact O-N 3.13Å; I284-T286 VanDerWaalsContact C-N 3.3Å; I284-T286 PolarHBondContact O-N 3.12Å; I284-L287 PolarHBondContact O-N 2.82Å; I284-L288 HydrophobicContact CG2-CD1 3.87Å; I284-L288 HydrophobicContact CG2-CG 4.38Å; I284-L288 WeakPolarHBondContact O-CG 3.37Å; I284-L288 PolarHBondContact O-N 2.8Å
285	F	69.3	Low	66.9	Low	121 Å²	121	62.3 Å²	62.3	53%	0.531	34%	0.34	S	S	.	.	H	α-helix	trans	-63	-36.6	179.4	-161.4	-93.2	0	0	0	112.5	I86 T281 I283 G289	I86-F285 HydrophobicContact CG2-CD1 3.74Å; I86-F285 HydrophobicContact CG2-CE1 4.13Å; I86-F285 HydrophobicContact CG2-CG 4.46Å; T281-F285 WeakPolarHBondContact O-CB 3.41Å; T281-F285 PolarHBondContact O-N 3.1Å; I283-F285 VanDerWaalsContact C-N 3.33Å; I283-F285 PolarHBondContact O-N 3.15Å; F285-G289 PolarHBondContact O-N 2.9Å
286	T	73.3	Confident	64	Low	68 Å²	68	69.4 Å²	69.4	42%	0.417	37%	0.373	S	S	.	.	H	α-helix	trans	-67.5	-40.8	176	-55.7	0	0	0	0	111.6	L277 G282 I283 I284 G289 S290	L277-T286 WeakPolarHBondContact CD2-OG1 3.33Å; G282-T286 WeakPolarHBondContact O-CB 3.4Å; G282-T286 PolarHBondContact O-N 2.77Å; G282-T286 PolarHBondContact O-OG1 3.19Å; I283-T286 PolarHBondContact O-N 3.13Å; I284-T286 VanDerWaalsContact C-N 3.3Å; I284-T286 PolarHBondContact O-N 3.12Å; T286-G289 PolarHBondContact O-N 2.87Å; T286-S290 WeakPolarHBondContact O-CB 3.42Å; T286-S290 PolarHBondContact O-N 3.45Å; T286-S290 VanDerWaalsContact O-N 3.08Å; T286-S290 PolarHBondContact O-OG 3.35Å
287	L	72.1	Confident	61.3	Low	112 Å²	112	76.3 Å²	76.3	59%	0.586	40%	0.402	S	S	*	.	H	α-helix	trans	-65.8	-42.5	176.4	-70.8	168.9	0	0	0	111.9	I283 I284 S290 S291	I283-L287 HydrophobicContact CG2-CD1 4.09Å; I283-L287 WeakPolarHBondContact O-CG 3.44Å; I283-L287 PolarHBondContact O-N 3.39Å; I284-L287 PolarHBondContact O-N 2.82Å; L287-S290 WeakPolarHBondContact CA-OG 3.47Å; L287-S290 PolarHBondContact O-N 3.37Å; L287-S290 PolarHBondContact O-OG 3.43Å; L287-S291 PolarHBondContact O-N 2.8Å
288	L	63.1	Low	58.6	Low	113 Å²	113	81.1 Å²	81.1	59%	0.592	42%	0.42	S	S	*	.	H	α-helix	trans	-66.8	-35.4	175	-69.9	171.7	0	0	0	112.6	I284 S290 S291	I284-L288 HydrophobicContact CG2-CD1 3.87Å; I284-L288 HydrophobicContact CG2-CG 4.38Å; I284-L288 WeakPolarHBondContact O-CG 3.37Å; I284-L288 PolarHBondContact O-N 2.8Å; L288-S290 VanDerWaalsContact C-N 3.34Å; L288-S291 PolarHBondContact O-OG 2.87Å
289	G	53.8	Low	56.1	Low	39 Å²	39	85.5 Å²	85.5	40%	0.402	45%	0.448	S	S	.	.	H	α-helix	trans	-75.5	-19	177	0	0	0	0	0	114.3	F285 T286	F285-G289 PolarHBondContact O-N 2.9Å; T286-G289 PolarHBondContact O-N 2.87Å
290	S	47.3	Very low	53.4	Low	54 Å²	54	94.3 Å²	94.3	38%	0.378	49%	0.486	S	S	.	.	H	α-helix	trans	-91.4	-23.5	179.6	36.8	0	0	0	0	113.5	T286 L287 L288 E292 H293	T286-S290 WeakPolarHBondContact O-CB 3.42Å; T286-S290 PolarHBondContact O-N 3.45Å; T286-S290 VanDerWaalsContact O-N 3.08Å; T286-S290 PolarHBondContact O-OG 3.35Å; L287-S290 WeakPolarHBondContact CA-OG 3.47Å; L287-S290 PolarHBondContact O-N 3.37Å; L287-S290 PolarHBondContact O-OG 3.43Å; L288-S290 VanDerWaalsContact C-N 3.34Å; S290-E292 VanDerWaalsContact C-N 3.35Å; S290-E292 PolarHBondContact O-N 2.87Å; S290-H293 PolarHBondContact O-N 2.85Å; S290-H293 VanDerWaalsContact O-N 3.13Å
291	S	35.9	Very low	50.9	Low	68 Å²	68	102.9 Å²	102.9	48%	0.476	52%	0.523	S	S	.	.	H	α-helix	trans	-67.4	-29.2	174.1	52.2	0	0	0	0	113.6	L287 L288 H293	L287-S291 PolarHBondContact O-N 2.8Å; L288-S291 PolarHBondContact O-OG 2.87Å; S291-H293 PolarHBondContact O-N 3.21Å
292	E	38	Very low	48.4	Very low	126 Å²	126	104.5 Å²	104.5	59%	0.589	55%	0.548	S	S	*	.	H	α-helix	trans	-63.7	-24.1	170.9	-74.4	-167.7	163.3	0	0	113	K89 S290	K89-E292 IonicContact NZ-OE2 2.85Å; K89-E292 PolarHBondContact NZ-OE2 3.27Å; S290-E292 VanDerWaalsContact C-N 3.35Å; S290-E292 PolarHBondContact O-N 2.87Å
293	H	33.4	Very low	46	Very low	104 Å²	104	114.5 Å²	114.5	48%	0.481	59%	0.591	S	S	.	*	H	α-helix	trans	-91	-17.5	-172.2	-95.1	-55.3	0	0	0	114.8	S290 S291	S290-H293 PolarHBondContact O-N 2.85Å; S290-H293 VanDerWaalsContact O-N 3.13Å; S291-H293 PolarHBondContact O-N 3.21Å
294	D	30.6	Very low	43.6	Very low	96 Å²	96	123.4 Å²	123.4	51%	0.513	63%	0.628	S	S	.	*	H	α-helix	trans	-88	-21.9	-176.3	-84.8	-14.7	0	0	0	113.7	K298	D294-K298 PolarHBondContact O-N 2.93Å
295	D	35.5	Very low	41.2	Very low	127 Å²	127	129.7 Å²	129.7	68%	0.679	66%	0.657	S	S	*	*	H	α-helix	trans	-70.8	-30.5	174.4	-76.2	-24.4	0	0	0	112.3
296	E	32.8	Very low	39.1	Very low	151 Å²	151	127.3 Å²	127.3	71%	0.706	67%	0.666	S	S	*	*	H	α-helix	trans	-80.6	-27.3	176.4	-72.1	-169.6	155.7	0	0	113.5
297	K	31.8	Very low	37.1	Very low	145 Å²	145	130.3 Å²	130.3	63%	0.63	69%	0.687	S	S	*	*	H	α-helix	trans	-86.7	-23.9	-175.1	-78.4	179.2	-177.1	166.6	0	114.2	V299 K300	K297-V299 PolarHBondContact O-N 2.92Å; K297-K300 PolarHBondContact O-N 2.86Å
298	K	30.8	Very low	35.9	Very low	175 Å²	175	130.5 Å²	130.5	76%	0.761	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-14.5	176.6	-80	-178.3	-180	170.1	0	113.9	D294	D294-K298 PolarHBondContact O-N 2.93Å
299	V	37.2	Very low	34	Very low	124 Å²	124	133.3 Å²	133.3	75%	0.752	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-15.1	178.4	-176.1	0	0	0	0	113.2	K297	K297-V299 PolarHBondContact O-N 2.92Å
300	K	32.3	Very low	32.6	Very low	186 Å²	186	138.2 Å²	138.2	81%	0.809	72%	0.722	S	S	*	*	S	Bend	trans	-116.9	7.5	-168.7	-78	-173.2	178.2	175.5	0	117.9	K297	K297-K300 PolarHBondContact O-N 2.86Å
301	K	31.1	Very low	31.7	Very low	207 Å²	207	146.3 Å²	146.3	90%	0.9	74%	0.744	S	S	*	*			trans	-130.6	87.4	173.2	-80.9	-172.4	176.8	179.2	0	112.9
302	G	28.6	Very low	31.2	Very low	74 Å²	74	149.8 Å²	149.8	76%	0.763	76%	0.757	S	S	*	*			trans	-150.6	75.4	166.5	0	0	0	0	0	110.9
303	K	31.7	Very low	30.5	Very low	210 Å²	210	153.3 Å²	153.3	91%	0.913	77%	0.77	S	S	*	*			trans	-172.2	104.9	161	-108	171.1	-173.1	-178.1	0	110.7
304	K	29.8	Very low	30	Very low	220 Å²	220	152.7 Å²	152.7	96%	0.957	78%	0.783	S	S	*	*			trans	-168	140.2	137.6	-105.7	177	-176.9	-174.6	0	110.4
305	Q	27.1	Very low	29.8	Very low	204 Å²	204	157.6 Å²	157.6	95%	0.953	80%	0.8	S	S	*	*			trans	-97.9	156.6	-168.2	-69.2	163.4	-29.6	0	0	112.4
306	G	24.3	Very low	29.2	Very low	71 Å²	71	157 Å²	157	73%	0.732	80%	0.801	S	S	*	*			trans	168.6	145.5	158.8	0	0	0	0	0	113.2
307	P	31.4	Very low	28.8	Very low	131 Å²	131	157.5 Å²	157.5	85%	0.851	80%	0.804	S	S	*	*			trans	-106.3	180	-138.6	41.3	-32.8	0	0	0	115.7
308	P	47	Very low	28.3	Very low	116 Å²	116	158 Å²	158	75%	0.753	81%	0.813	S	S	*	*			trans	-103.7	154.7	-153.6	39.1	-31.7	0	0	0	114.5
309	E	24.6	Very low	28.1	Very low	172 Å²	172	153.3 Å²	153.3	80%	0.804	82%	0.815	S	S	*	*			trans	173.7	144.9	131.3	-104	-174.3	163.7	0	0	115.9
310	N	24.3	Very low	27.4	Very low	141 Å²	141	155.1 Å²	155.1	75%	0.754	82%	0.819	S	S	*	*			trans	81.4	133.6	142.7	-80.8	-33.5	0	0	0	125.3
311	R	27.8	Very low	26.9	Very low	224 Å²	224	150.9 Å²	150.9	85%	0.845	82%	0.818	S	S	*	*			trans	-69.6	139.5	179.4	-73.4	167.7	154.9	164.7	-7.3	113.3
312	N	24.3	Very low	26.8	Very low	142 Å²	142	148.4 Å²	148.4	76%	0.759	81%	0.814	S	S	*	*				161.2	134.1	111.8	-90.6	-30	0	0	0	114.3
313	K	24	Very low	26.5	Very low	199 Å²	199	153.2 Å²	153.2	87%	0.865	82%	0.816	S	S	*	*			trans	55	119.8	144.2	-76.4	-177.8	175.1	177.3	0	122.8
314	A	23.8	Very low	26.4	Very low	91 Å²	91	150.9 Å²	150.9	75%	0.752	81%	0.812	S	S	*	*				113.9	117.3	122	0	0	0	0	0	119.2
315	K	25.3	Very low	26	Very low	199 Å²	199	148 Å²	148	87%	0.865	80%	0.803	S	S	*	*			trans	43.3	134.6	146.4	-65.1	-177.8	175.4	-176.7	0	118.4
316	T	23.4	Very low	25.9	Very low	114 Å²	114	144.5 Å²	144.5	70%	0.699	80%	0.797	S	S	*	*				-168.1	144	51.3	-27	0	0	0	0	111.7
317	Q	24.1	Very low	25.9	Very low	163 Å²	163	149.6 Å²	149.6	76%	0.762	81%	0.807	S	S	*	*			trans	40.8	116.3	146.3	-84.6	172	-37.3	0	0	122.9
318	D	22.1	Very low	25.5	Very low	154 Å²	154	153 Å²	153	82%	0.824	81%	0.808	S	S	*	*				146.3	138.7	99.3	-91.2	-13.2	0	0	0	111.6
319	G	25	Very low	24.5	Very low	78 Å²	78	153.2 Å²	153.2	80%	0.804	81%	0.813	S	S	*	*			trans	142.8	93.7	168	0	0	0	0	0	114.9
320	I	23.7	Very low	24.4	Very low	162 Å²	162	153.9 Å²	153.9	83%	0.831	82%	0.815	S	S	*	*			trans	-70.9	137.6	-173.5	-69.2	158.4	0	0	0	112.6	L322	I320-L322 HydrophobicContact CG2-CD1 4.48Å
321	A	22.3	Very low	24.4	Very low	96 Å²	96	156.2 Å²	156.2	79%	0.793	82%	0.822	S	S	*	*			trans	-95.3	139.9	162.9	0	0	0	0	0	109.7
322	L	28.3	Very low	24.1	Very low	156 Å²	156	149.5 Å²	149.5	82%	0.817	81%	0.814	S	S	*	*			trans	-124.4	108.8	174.2	-104.1	152.5	0	0	0	109.4	I320	I320-L322 HydrophobicContact CG2-CD1 4.48Å
323	E	23	Very low	23.9	Very low	174 Å²	174	149.9 Å²	149.9	81%	0.813	82%	0.822	S	S	*	*			trans	-83	141.3	159.4	-76.5	-179.2	148.1	0	0	108.9
324	I	28.6	Very low	23.9	Very low	161 Å²	161	149.3 Å²	149.3	83%	0.826	82%	0.822	S	S	*	*			trans	-114.5	118.1	170.1	-61	173.6	0	0	0	107.7
325	Q	21.3	Very low	23.8	Very low	161 Å²	161	151 Å²	151	75%	0.752	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-100.9	144.7	166.4	-70.8	179.7	14.3	0	0	109.4
326	P	26.1	Very low	23.6	Very low	129 Å²	129	150 Å²	150	84%	0.838	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-86.7	132	171.9	31.6	-27.5	0	0	0	111.5
327	L	23.6	Very low	23.6	Very low	178 Å²	178	152.3 Å²	152.3	93%	0.932	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-83.3	136.9	177.9	-86.1	145.7	0	0	0	111.9
328	K	23	Very low	23.7	Very low	203 Å²	203	153.8 Å²	153.8	88%	0.883	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-84.2	150.8	168	-76.6	178	173.3	179.3	0	110.9
329	S	25.3	Very low	23.8	Very low	121 Å²	121	155.8 Å²	155.8	85%	0.846	84%	0.838	S	S	*	*			trans	-104.3	123.8	163.4	53	0	0	0	0	110.7
330	E	24	Very low	23.7	Very low	185 Å²	185	160.8 Å²	160.8	86%	0.864	84%	0.841	S	S	*	*			trans	-93.2	149.3	162	-67.4	177.2	154.8	0	0	107.9
331	E	23	Very low	23.8	Very low	191 Å²	191	159.8 Å²	159.8	89%	0.893	84%	0.842	S	S	*	*				-165.3	164	58	-76.7	177	156.9	0	0	107.6
332	A	22	Very low	23.8	Very low	83 Å²	83	164.5 Å²	164.5	69%	0.686	84%	0.844	S	S	*	*			cis	-169.1	143.8	-9.9	0	0	0	0	0	107.8
333	T	21.3	Very low	23.6	Very low	149 Å²	149	165.6 Å²	165.6	91%	0.914	85%	0.845	S	S	*	*				173.2	138.5	124.9	29	0	0	0	0	111.2
334	E	22.3	Very low	23.7	Very low	187 Å²	187	164.2 Å²	164.2	87%	0.874	85%	0.848	S	S	*	*			trans	-76.8	142.8	-162	-61.2	163.1	147.1	0	0	114.5
335	S	21.8	Very low	23.4	Very low	126 Å²	126	165.8 Å²	165.8	88%	0.881	85%	0.849	S	S	*	*			trans	-159.6	134.5	137.2	-35.7	0	0	0	0	109.5
336	E	22.6	Very low	23.5	Very low	180 Å²	180	167.2 Å²	167.2	84%	0.841	85%	0.853	S	S	*	*			trans	-77	167	-169.9	-59.7	172.8	132.1	0	0	115
337	E	23.4	Very low	23.3	Very low	161 Å²	161	167.7 Å²	167.7	75%	0.752	85%	0.853	S	S	*	*			trans	84.9	96.1	154.2	-68.6	-167.1	-177	0	0	120.9
338	K	25.4	Very low	23.2	Very low	194 Å²	194	166 Å²	166	84%	0.843	85%	0.845	S	S	*	*				163.6	122.4	101.6	-95.2	168.8	-173.8	175.3	0	111.2	E340	K338-E340 PolarHBondContact O-N 2.81Å
339	E	23.3	Very low	23.3	Very low	196 Å²	196	162.5 Å²	162.5	92%	0.916	84%	0.841	S	S	*	*			trans	-73.5	115.5	177	-69.8	179.9	141.6	0	0	111.7
340	E	24.3	Very low	23.3	Very low	184 Å²	184	163 Å²	163	86%	0.86	84%	0.839	S	S	*	*			trans	-114.8	119.1	149	-85.9	-169.1	167.8	0	0	108.4	K338 K342	K338-E340 PolarHBondContact O-N 2.81Å; E340-K342 PolarHBondContact O-N 3.14Å
341	V	24.3	Very low	23.5	Very low	141 Å²	141	161.7 Å²	161.7	86%	0.855	83%	0.83	S	S	*	*			trans	-68.4	94.5	178.5	178.6	0	0	0	0	109.3	Q343	V341-Q343 PolarHBondContact O-N 3Å
342	K	23.6	Very low	24.2	Very low	194 Å²	194	161.7 Å²	161.7	84%	0.843	83%	0.827	S	S	*	*			trans	-72.8	114.7	167.2	-92.1	179.9	178.3	171.3	0	109.9	E340 V344	E340-K342 PolarHBondContact O-N 3.14Å; K342-V344 PolarHBondContact O-N 2.95Å
343	Q	22.9	Very low	25.3	Very low	180 Å²	180	165.9 Å²	165.9	84%	0.841	83%	0.832	S	S	*	*			trans	-55.2	130.5	165.6	-70.4	-174.3	-8.3	0	0	110.6	V341 K345	V341-Q343 PolarHBondContact O-N 3Å; Q343-K345 PolarHBondContact O-N 2.92Å; Q343-K345 VanDerWaalsContact O-N 3.08Å
344	V	25.4	Very low	26.9	Very low	144 Å²	144	163.4 Å²	163.4	87%	0.873	81%	0.809	S	S	*	*			trans	-60.9	107.9	168.7	177.1	0	0	0	0	108.2	K342 K346	K342-V344 PolarHBondContact O-N 2.95Å; V344-K346 PolarHBondContact O-N 2.81Å; V344-K346 VanDerWaalsContact O-N 3.17Å
345	K	23.1	Very low	29.1	Very low	195 Å²	195	155.1 Å²	155.1	85%	0.848	77%	0.772	S	S	*	*			trans	-62.2	114.4	173.1	-83.4	-178.8	174.2	179.7	0	108.9	Q343 V347	Q343-K345 PolarHBondContact O-N 2.92Å; Q343-K345 VanDerWaalsContact O-N 3.08Å; K345-V347 PolarHBondContact O-N 3.35Å
346	K	22.7	Very low	31.5	Very low	190 Å²	190	150.7 Å²	150.7	83%	0.826	74%	0.739	S	S	*	*			trans	-54	130.4	157.9	-83.7	179.4	174.1	177.2	0	108	V344 N348	V344-K346 PolarHBondContact O-N 2.81Å; V344-K346 VanDerWaalsContact O-N 3.17Å; K346-N348 PolarHBondContact O-N 2.76Å
347	V	22.8	Very low	34	Very low	140 Å²	140	142.2 Å²	142.2	85%	0.848	70%	0.7	S	S	*	*			trans	-62.5	99.7	168.5	177.7	0	0	0	0	107.1	K345 V349	K345-V347 PolarHBondContact O-N 3.35Å; V347-V349 PolarHBondContact O-N 3.29Å
348	N	21.9	Very low	36.3	Very low	141 Å²	141	138.6 Å²	138.6	75%	0.754	68%	0.683	S	S	*	*			trans	-71.4	109.1	168.9	-81.7	-12.9	0	0	0	107	K346 T350	K346-N348 PolarHBondContact O-N 2.76Å; N348-T350 PolarHBondContact O-N 3.18Å; N348-T350 VanDerWaalsContact O-N 3.13Å
349	V	25	Very low	38.5	Very low	131 Å²	131	130 Å²	130	79%	0.794	65%	0.649	S	S	*	*			trans	-55.4	118	160.1	178.8	0	0	0	0	106.3	V347 K351	V347-V349 PolarHBondContact O-N 3.29Å; V349-K351 PolarHBondContact O-N 3.26Å
350	T	24.2	Very low	41.3	Very low	131 Å²	131	123.2 Å²	123.2	80%	0.804	62%	0.617	S	S	*	*			trans	-55.9	105.2	178.1	32.5	0	0	0	0	109.2	N348 K352	N348-T350 PolarHBondContact O-N 3.18Å; N348-T350 VanDerWaalsContact O-N 3.13Å; T350-K352 PolarHBondContact O-N 2.75Å
351	K	28.8	Very low	43.8	Very low	157 Å²	157	114.8 Å²	114.8	68%	0.683	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-56.9	134.1	168.8	-83.4	179.3	175.3	179.3	0	107.6	V349 E353 D1089	V349-K351 PolarHBondContact O-N 3.26Å; K351-E353 PolarHBondContact O-N 3.31Å; K351-E353 VanDerWaalsContact O-N 3.11Å; K351-D1089 IonicContact NZ-OD1 3.22Å; K351-D1089 IonicContact NZ-OD2 2.7Å; K351-D1089 PolarHBondContact NZ-OD2 3.01Å
352	K	37.5	Very low	46.2	Very low	191 Å²	191	110.8 Å²	110.8	83%	0.83	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-55.8	116.6	172.8	-78.5	179.1	175	177.4	0	109	T350 K354	T350-K352 PolarHBondContact O-N 2.75Å; K352-K354 PolarHBondContact O-N 3.01Å
353	E	44.8	Very low	48.8	Very low	171 Å²	171	108 Å²	108	80%	0.799	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-58.3	128.8	173.6	-69.1	-178.7	174.9	0	0	108.8	K351	K351-E353 PolarHBondContact O-N 3.31Å; K351-E353 VanDerWaalsContact O-N 3.11Å
354	K	54.3	Low	51.4	Low	98 Å²	98	100.6 Å²	100.6	43%	0.426	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-75.2	151.2	177	-67.5	177.8	-176.4	168.6	0	109.2	K352 E1092	K352-K354 PolarHBondContact O-N 3.01Å; K354-E1092 IonicContact NZ-OE2 2.63Å; K354-E1092 PolarHBondContact NZ-OE2 2.84Å
355	S	68.6	Low	53.9	Low	12 Å²	12	95 Å²	95	8%	0.084	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-63	149	177.6	-161.9	0	0	0	0	112.6	L357 Q358 G359 E459	S355-L357 PolarHBondContact O-N 2.92Å; S355-Q358 WeakPolarHBondContact O-CB 3.43Å; S355-Q358 PolarHBondContact O-N 2.78Å; S355-Q358 VanDerWaalsContact O-N 3.14Å; S355-G359 PolarHBondContact O-N 2.92Å; S355-G359 VanDerWaalsContact O-N 3.13Å; S355-E459 WeakPolarHBondContact CB-OE2 3.45Å; S355-E459 PolarHBondContact OG-OE2 3.32Å
356	V	71.7	Confident	56.4	Low	34 Å²	34	87.6 Å²	87.6	21%	0.206	44%	0.443	C	S	.	.	H	α-helix	trans	-59.5	-44.9	-176.3	-176.3	0	0	0	0	111.9	G359 K360 R914	V356-G359 PolarHBondContact O-N 3.07Å; V356-K360 PolarHBondContact O-N 2.85Å; V356-R914 VanDerWaalsContact CG2-NH2 3.3Å
357	L	75.8	Confident	59.1	Low	1 Å²	1	83.9 Å²	83.9	1%	0.005	43%	0.429	C	S	.	.	H	α-helix	trans	-67.2	-36.1	177.6	-176.2	64.1	0	0	0	112.7	S355 G359 K360 L361 E459 Y844 I847 L918	S355-L357 PolarHBondContact O-N 2.92Å; L357-G359 VanDerWaalsContact C-N 3.29Å; L357-G359 PolarHBondContact O-N 3.42Å; L357-K360 PolarHBondContact O-N 3.26Å; L357-L361 HydrophobicContact CD1-CD1 4.39Å; L357-L361 HydrophobicContact CD1-CG 4.49Å; L357-L361 HydrophobicContact CG-CD1 3.94Å; L357-L361 HydrophobicContact CG-CG 4.46Å; L357-L361 WeakPolarHBondContact O-CB 3.17Å; L357-L361 WeakPolarHBondContact O-CG 3.39Å; L357-L361 PolarHBondContact O-N 3.14Å; L357-E459 HydrophobicContact CB-CG 4.34Å; L357-E459 WeakPolarHBondContact CB-OE1 3.49Å; L357-E459 WeakPolarHBondContact CB-OE2 3.24Å; L357-E459 HydrophobicContact CD2-CG 4.42Å; L357-E459 PolarHBondContact N-OE1 3.36Å; L357-Y844 HydrophobicContact CD1-CD2 4.11Å; L357-Y844 HydrophobicContact CD1-CE2 3.99Å; L357-Y844 HydrophobicContact CD2-CD2 4.42Å; L357-I847 HydrophobicContact CD2-CB 4.31Å; L357-I847 HydrophobicContact CD2-CD1 3.25Å; L357-I847 HydrophobicContact CD2-CG1 4.34Å; L357-I847 HydrophobicContact CD2-CG2 4.16Å; L357-I847 HydrophobicContact CG-CD1 4.47Å; L357-L918 HydrophobicContact CD1-CD1 3.44Å; L357-L918 VanDerWaalsContact CD1-CD1 3.44Å; L357-L918 HydrophobicContact CD1-CD2 4.1Å; L357-L918 HydrophobicContact CD1-CG 4.41Å
358	Q	72.1	Confident	61.9	Low	85 Å²	85	78.7 Å²	78.7	40%	0.397	40%	0.396	S	S	.	.	H	α-helix	trans	-62.6	-39.9	177.6	-171.4	177.8	-11.6	0	0	110.8	S355 L361 T362	S355-Q358 WeakPolarHBondContact O-CB 3.43Å; S355-Q358 PolarHBondContact O-N 2.78Å; S355-Q358 VanDerWaalsContact O-N 3.14Å; Q358-L361 PolarHBondContact O-N 3.34Å; Q358-T362 WeakPolarHBondContact O-CB 3.23Å; Q358-T362 PolarHBondContact O-N 3.5Å; Q358-T362 PolarHBondContact O-OG1 3.32Å
359	G	72.7	Confident	64.7	Low	14 Å²	14	72.8 Å²	72.8	14%	0.144	37%	0.369	C	S	.	.	H	α-helix	trans	-58.6	-50.1	172	0	0	0	0	0	112.5	S355 V356 L357 L361 T362 R363	S355-G359 PolarHBondContact O-N 2.92Å; S355-G359 VanDerWaalsContact O-N 3.13Å; V356-G359 PolarHBondContact O-N 3.07Å; L357-G359 VanDerWaalsContact C-N 3.29Å; L357-G359 PolarHBondContact O-N 3.42Å; G359-L361 PolarHBondContact O-N 3.1Å; G359-T362 PolarHBondContact O-N 3.47Å; G359-R363 PolarHBondContact O-N 3.36Å; G359-R363 VanDerWaalsContact O-N 3.09Å
360	K	80.5	Confident	67.4	Low	54 Å²	54	72.9 Å²	72.9	24%	0.235	36%	0.359	C	S	.	.	H	α-helix	trans	-61.1	-41.9	178.5	-69.9	-177.9	178.5	-178.4	0	113.2	V356 L357 R363 L364 R914 K916	V356-K360 PolarHBondContact O-N 2.85Å; L357-K360 PolarHBondContact O-N 3.26Å; K360-R363 PolarHBondContact O-N 3.31Å; K360-L364 PolarHBondContact O-N 3.3Å; K360-R914 WeakPolarHBondContact CE-O 3.37Å; K360-R914 PolarHBondContact NZ-O 3.41Å; K360-K916 PolarHBondContact NZ-O 3.06Å
361	L	77.2	Confident	70.3	Confident	7 Å²	7	69.3 Å²	69.3	4%	0.037	34%	0.343	C	S	.	.	H	α-helix	trans	-67.5	-38.1	179	-79.8	169	0	0	0	112.4	L357 Q358 G359 R363 L364 A365 V434 I847 L851 L918	L357-L361 HydrophobicContact CD1-CD1 4.39Å; L357-L361 HydrophobicContact CD1-CG 4.49Å; L357-L361 HydrophobicContact CG-CD1 3.94Å; L357-L361 HydrophobicContact CG-CG 4.46Å; L357-L361 WeakPolarHBondContact O-CB 3.17Å; L357-L361 WeakPolarHBondContact O-CG 3.39Å; L357-L361 PolarHBondContact O-N 3.14Å; Q358-L361 PolarHBondContact O-N 3.34Å; G359-L361 PolarHBondContact O-N 3.1Å; L361-R363 VanDerWaalsContact C-N 3.34Å; L361-L364 PolarHBondContact O-N 3.23Å; L361-A365 WeakPolarHBondContact O-CB 3.41Å; L361-A365 PolarHBondContact O-N 2.96Å; L361-V434 HydrophobicContact CD1-CG2 3.02Å; L361-V434 HydrophobicContact CG-CG2 4.49Å; L361-I847 HydrophobicContact CD1-CG2 4.1Å; L361-L851 HydrophobicContact CD2-CD1 3.94Å; L361-L851 HydrophobicContact CD2-CD2 3.94Å; L361-L851 HydrophobicContact CD2-CG 4.35Å; L361-L918 HydrophobicContact CD2-CD2 3.57Å; L361-L918 HydrophobicContact CG-CD2 3.89Å
362	T	74.9	Confident	72.9	Confident	56 Å²	56	62 Å²	62	34%	0.344	31%	0.312	S	S	.	.	H	α-helix	trans	-62.4	-45	175.3	-53.9	0	0	0	0	110.2	Q358 G359 L364 A365 V366	Q358-T362 WeakPolarHBondContact O-CB 3.23Å; Q358-T362 PolarHBondContact O-N 3.5Å; Q358-T362 PolarHBondContact O-OG1 3.32Å; G359-T362 PolarHBondContact O-N 3.47Å; T362-L364 PolarHBondContact O-N 3.29Å; T362-A365 PolarHBondContact O-N 2.98Å; T362-V366 WeakPolarHBondContact O-CG2 3.39Å; T362-V366 PolarHBondContact O-N 3.28Å
363	R	77.9	Confident	75.2	Confident	135 Å²	135	57.9 Å²	57.9	51%	0.509	30%	0.298	S	S	.	.	H	α-helix	trans	-59.9	-44.4	175.3	-168.2	176	-173.4	162.4	5.6	112.1	G359 K360 L361 V366 Q367	G359-R363 PolarHBondContact O-N 3.36Å; G359-R363 VanDerWaalsContact O-N 3.09Å; K360-R363 PolarHBondContact O-N 3.31Å; L361-R363 VanDerWaalsContact C-N 3.34Å; R363-V366 PolarHBondContact O-N 3.16Å; R363-Q367 WeakPolarHBondContact O-CG 3.34Å; R363-Q367 PolarHBondContact O-N 3Å; R363-Q367 VanDerWaalsContact O-N 3.12Å
364	L	78.3	Confident	77.4	Confident	26 Å²	26	56.4 Å²	56.4	14%	0.136	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-46.1	177.4	-174.6	70.7	0	0	0	111.9	K360 L361 T362 V366 Q367 I368 L851 I919	K360-L364 PolarHBondContact O-N 3.3Å; L361-L364 PolarHBondContact O-N 3.23Å; T362-L364 PolarHBondContact O-N 3.29Å; L364-V366 VanDerWaalsContact C-N 3.3Å; L364-V366 PolarHBondContact O-N 3.02Å; L364-Q367 PolarHBondContact O-N 3.12Å; L364-I368 HydrophobicContact CD1-CD1 4.29Å; L364-I368 HydrophobicContact CD2-CD1 4.34Å; L364-I368 HydrophobicContact CG-CD1 3.84Å; L364-I368 HydrophobicContact CG-CG1 4.49Å; L364-I368 WeakPolarHBondContact O-CG1 3.33Å; L364-I368 PolarHBondContact O-N 3.32Å; L364-L851 HydrophobicContact CD2-CD2 3.96Å; L364-I919 HydrophobicContact CD1-CD1 4.04Å; L364-I919 HydrophobicContact CD2-CD1 4.44Å
365	A	76.8	Confident	79	Confident	26 Å²	26	54 Å²	54	22%	0.215	28%	0.28	C	S	.	.	H	α-helix	trans	-59.7	-41.6	179	0	0	0	0	0	111.5	L361 T362 I368 G369 L430	L361-A365 WeakPolarHBondContact O-CB 3.41Å; L361-A365 PolarHBondContact O-N 2.96Å; T362-A365 PolarHBondContact O-N 2.98Å; A365-I368 PolarHBondContact O-N 3.36Å; A365-G369 PolarHBondContact O-N 3.39Å; A365-L430 HydrophobicContact CB-CD1 4.12Å
366	V	76.5	Confident	79.8	Confident	39 Å²	39	53.9 Å²	53.9	24%	0.236	28%	0.28	C	S	.	.	H	α-helix	trans	-64.4	-42.4	175.9	172.2	0	0	0	0	111.7	T362 R363 L364 G369 K370 L1095	T362-V366 WeakPolarHBondContact O-CG2 3.39Å; T362-V366 PolarHBondContact O-N 3.28Å; R363-V366 PolarHBondContact O-N 3.16Å; L364-V366 VanDerWaalsContact C-N 3.3Å; L364-V366 PolarHBondContact O-N 3.02Å; V366-G369 PolarHBondContact O-N 2.92Å; V366-K370 HydrophobicContact CG1-CD 4.38Å; V366-K370 WeakPolarHBondContact O-CG 3.48Å; V366-K370 PolarHBondContact O-N 3.27Å; V366-L1095 HydrophobicContact CG2-CD1 4.19Å
367	Q	79.9	Confident	80.6	Confident	112 Å²	112	54.5 Å²	54.5	52%	0.523	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-45.5	177.1	-73.7	176.7	-11	0	0	111.9	R363 L364 G369 K370 A371	R363-Q367 WeakPolarHBondContact O-CG 3.34Å; R363-Q367 PolarHBondContact O-N 3Å; R363-Q367 VanDerWaalsContact O-N 3.12Å; L364-Q367 PolarHBondContact O-N 3.12Å; Q367-G369 VanDerWaalsContact C-N 3.34Å; Q367-K370 PolarHBondContact O-N 2.86Å; Q367-A371 PolarHBondContact O-N 3.33Å
368	I	81.7	Confident	81.3	Confident	31 Å²	31	57.1 Å²	57.1	16%	0.159	30%	0.302	C	S	.	.	H	α-helix	trans	-62.8	-43.1	176.5	-66.9	168.9	0	0	0	110.3	L364 A365 K370 A371 G372 A425 P427 L855	L364-I368 HydrophobicContact CD1-CD1 4.29Å; L364-I368 HydrophobicContact CD2-CD1 4.34Å; L364-I368 HydrophobicContact CG-CD1 3.84Å; L364-I368 HydrophobicContact CG-CG1 4.49Å; L364-I368 WeakPolarHBondContact O-CG1 3.33Å; L364-I368 PolarHBondContact O-N 3.32Å; A365-I368 PolarHBondContact O-N 3.36Å; I368-K370 PolarHBondContact O-N 3.23Å; I368-A371 PolarHBondContact O-N 3.3Å; I368-G372 PolarHBondContact O-N 2.86Å; I368-A425 WeakPolarHBondContact CG2-O 3.36Å; I368-P427 HydrophobicContact CD1-CG 4.19Å; I368-P427 HydrophobicContact CG2-CG 4.16Å; I368-L855 HydrophobicContact CD1-CD2 3.52Å
369	G	79.3	Confident	82.1	Confident	18 Å²	18	53 Å²	53	19%	0.186	28%	0.283	C	S	.	.	H	α-helix	trans	-61.4	-41.6	177	0	0	0	0	0	113.2	A365 V366 Q367 G372 L373	A365-G369 PolarHBondContact O-N 3.39Å; V366-G369 PolarHBondContact O-N 2.92Å; Q367-G369 VanDerWaalsContact C-N 3.34Å; G369-G372 PolarHBondContact O-N 2.96Å; G369-L373 WeakPolarHBondContact O-CB 3.32Å; G369-L373 PolarHBondContact O-N 3.27Å
370	K	81.7	Confident	82.8	Confident	132 Å²	132	53.5 Å²	53.5	57%	0.574	28%	0.283	S	S	*	.	H	α-helix	trans	-63	-44	174.3	-73.1	179.1	-178.6	-179.2	0	111.7	V366 Q367 I368 F374	V366-K370 HydrophobicContact CG1-CD 4.38Å; V366-K370 WeakPolarHBondContact O-CG 3.48Å; V366-K370 PolarHBondContact O-N 3.27Å; Q367-K370 PolarHBondContact O-N 2.86Å; I368-K370 PolarHBondContact O-N 3.23Å; K370-F374 PolarHBondContact O-N 3.43Å; K370-F374 VanDerWaalsContact O-N 3.13Å
371	A	84.6	Confident	83.3	Confident	57 Å²	57	55.4 Å²	55.4	47%	0.471	30%	0.295	S	S	.	.	H	α-helix	trans	-65.8	-42.4	177.2	0	0	0	0	0	112.4	Q367 I368 F374 M375	Q367-A371 PolarHBondContact O-N 3.33Å; I368-A371 PolarHBondContact O-N 3.3Å; A371-F374 PolarHBondContact O-N 2.73Å; A371-M375 WeakPolarHBondContact O-CG 3.42Å; A371-M375 PolarHBondContact O-N 3.07Å
372	G	85.3	Confident	83.8	Confident	4 Å²	4	57.5 Å²	57.5	4%	0.041	31%	0.306	C	S	.	.	H	α-helix	trans	-61.9	-43.8	176.2	0	0	0	0	0	112.8	I368 G369 F374 M375 S376 A425	I368-G372 PolarHBondContact O-N 2.86Å; G369-G372 PolarHBondContact O-N 2.96Å; G372-F374 PolarHBondContact O-N 3.07Å; G372-M375 PolarHBondContact O-N 3.21Å; G372-S376 VanDerWaalsContact O-CB 3.29Å; G372-S376 WeakPolarHBondContact O-CB 3.35Å; G372-S376 PolarHBondContact O-N 3.14Å; G372-A425 VanDerWaalsContact CA-CB 3.45Å
373	L	85.5	Confident	84.4	Confident	103 Å²	103	55 Å²	55	54%	0.539	29%	0.29	S	S	.	.	H	α-helix	trans	-61.1	-43.3	175.1	-176.6	65.5	0	0	0	112.1	G369 A377 L422	G369-L373 WeakPolarHBondContact O-CB 3.32Å; G369-L373 PolarHBondContact O-N 3.27Å; L373-A377 WeakPolarHBondContact O-CB 3.25Å; L373-A377 PolarHBondContact O-N 3.19Å; L373-L422 HydrophobicContact CB-CD1 4.21Å; L373-L422 HydrophobicContact CD1-CD1 4.35Å; L373-L422 HydrophobicContact CD1-CD2 4.31Å
374	F	89.9	Confident	84.8	Confident	140 Å²	140	51.3 Å²	51.3	61%	0.614	28%	0.28	S	S	*	.	H	α-helix	trans	-61.5	-48.6	176.1	176.6	-97.6	0	0	0	111.8	K370 A371 G372 A377 L378	K370-F374 PolarHBondContact O-N 3.43Å; K370-F374 VanDerWaalsContact O-N 3.13Å; A371-F374 PolarHBondContact O-N 2.73Å; G372-F374 PolarHBondContact O-N 3.07Å; F374-A377 PolarHBondContact O-N 2.9Å; F374-L378 HydrophobicContact CE1-CD2 4.26Å; F374-L378 WeakPolarHBondContact O-CB 3Å; F374-L378 PolarHBondContact O-N 2.98Å
375	M	87.4	Confident	85.3	Confident	47 Å²	47	54.5 Å²	54.5	23%	0.232	30%	0.297	C	S	.	.	H	α-helix	trans	-64.2	-40.8	179.1	-72.3	-59.1	-63.1	0	0	112.6	A371 G372 L378 T379 V862 F866	A371-M375 WeakPolarHBondContact O-CG 3.42Å; A371-M375 PolarHBondContact O-N 3.07Å; G372-M375 PolarHBondContact O-N 3.21Å; M375-L378 PolarHBondContact O-N 2.88Å; M375-T379 WeakPolarHBondContact O-CB 3.38Å; M375-T379 PolarHBondContact O-N 3.1Å; M375-T379 PolarHBondContact O-OG1 2.95Å; M375-V862 HydrophobicContact CB-CG1 4.34Å; M375-V862 HydrophobicContact CG-CG1 4.43Å; M375-F866 HydrophobicContact CE-CB 4.06Å; M375-F866 HydrophobicContact CE-CD1 4Å; M375-F866 HydrophobicContact CE-CD2 3.59Å; M375-F866 HydrophobicContact CE-CE1 4.36Å; M375-F866 HydrophobicContact CE-CE2 3.99Å; M375-F866 HydrophobicContact CE-CG 3.6Å; M375-F866 HydrophobicContact CE-CZ 4.36Å
376	S	86.9	Confident	85.7	Confident	11 Å²	11	58.3 Å²	58.3	8%	0.077	31%	0.306	C	S	.	.	H	α-helix	trans	-59.6	-51.5	175	170.5	0	0	0	0	111.4	G372 L378 T379 V380 G418	G372-S376 VanDerWaalsContact O-CB 3.29Å; G372-S376 WeakPolarHBondContact O-CB 3.35Å; G372-S376 PolarHBondContact O-N 3.14Å; S376-L378 VanDerWaalsContact C-N 3.33Å; S376-L378 PolarHBondContact O-N 3.34Å; S376-T379 WeakPolarHBondContact O-CB 3.07Å; S376-T379 PolarHBondContact O-N 2.97Å; S376-V380 WeakPolarHBondContact O-CG2 3.27Å; S376-V380 PolarHBondContact O-N 3.29Å; S376-V380 VanDerWaalsContact O-N 3.08Å; S376-G418 WeakPolarHBondContact CB-O 3.42Å; S376-G418 PolarHBondContact OG-O 3.14Å
377	A	88.8	Confident	86	Confident	46 Å²	46	57.1 Å²	57.1	38%	0.38	30%	0.298	S	S	.	.	H	α-helix	trans	-60.8	-42.9	178.3	0	0	0	0	0	111.9	L373 F374 T379 V380 I381	L373-A377 WeakPolarHBondContact O-CB 3.25Å; L373-A377 PolarHBondContact O-N 3.19Å; F374-A377 PolarHBondContact O-N 2.9Å; A377-T379 VanDerWaalsContact C-N 3.34Å; A377-T379 PolarHBondContact O-N 2.87Å; A377-V380 PolarHBondContact O-N 2.98Å; A377-I381 WeakPolarHBondContact O-CD1 3.15Å; A377-I381 VanDerWaalsContact O-CG1 3.25Å; A377-I381 WeakPolarHBondContact O-CG1 3.5Å; A377-I381 PolarHBondContact O-N 3.23Å
378	L	90.6	Very high	86.3	Confident	56 Å²	56	54.4 Å²	54.4	29%	0.293	29%	0.289	S	S	.	.	H	α-helix	trans	-60.5	-43.2	176.7	-177.4	62.1	0	0	0	111.7	F374 M375 S376 I381 I382 F866	F374-L378 HydrophobicContact CE1-CD2 4.26Å; F374-L378 WeakPolarHBondContact O-CB 3Å; F374-L378 PolarHBondContact O-N 2.98Å; M375-L378 PolarHBondContact O-N 2.88Å; S376-L378 VanDerWaalsContact C-N 3.33Å; S376-L378 PolarHBondContact O-N 3.34Å; L378-I381 PolarHBondContact O-N 3.3Å; L378-I382 HydrophobicContact CD1-CD1 4Å; L378-I382 HydrophobicContact CD1-CG1 4.32Å; L378-I382 HydrophobicContact CG-CD1 3.86Å; L378-I382 VanDerWaalsContact O-CG1 3.28Å; L378-I382 WeakPolarHBondContact O-CG1 3.36Å; L378-I382 PolarHBondContact O-N 3.18Å; L378-F866 HydrophobicContact CD2-CE2 3.97Å; L378-F866 HydrophobicContact CD2-CZ 4.24Å; L378-F866 HydrophobicContact CG-CE2 4.14Å
379	T	87.4	Confident	86.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-47.3	177.7	-51	0	0	0	0	111.2	M375 S376 A377 I381 I382 L383 I417 F866 A869	M375-T379 WeakPolarHBondContact O-CB 3.38Å; M375-T379 PolarHBondContact O-N 3.1Å; M375-T379 PolarHBondContact O-OG1 2.95Å; S376-T379 WeakPolarHBondContact O-CB 3.07Å; S376-T379 PolarHBondContact O-N 2.97Å; A377-T379 VanDerWaalsContact C-N 3.34Å; A377-T379 PolarHBondContact O-N 2.87Å; T379-I381 PolarHBondContact O-N 3.48Å; T379-I382 PolarHBondContact O-N 3.19Å; T379-L383 HydrophobicContact CG2-CD1 4.06Å; T379-L383 WeakPolarHBondContact O-CB 3.45Å; T379-L383 WeakPolarHBondContact O-CG 3.41Å; T379-L383 PolarHBondContact O-N 3.34Å; T379-I417 HydrophobicContact CG2-CG2 4.43Å; T379-F866 WeakPolarHBondContact OG1-CD2 3.43Å; T379-A869 HydrophobicContact CG2-CB 3.69Å
380	V	88.4	Confident	86.6	Confident	24 Å²	24	59.2 Å²	59.2	15%	0.145	31%	0.307	C	S	.	.	H	α-helix	trans	-60.9	-45.9	178.4	174.9	0	0	0	0	110.9	S376 A377 I382 L383 I384	S376-V380 WeakPolarHBondContact O-CG2 3.27Å; S376-V380 PolarHBondContact O-N 3.29Å; S376-V380 VanDerWaalsContact O-N 3.08Å; A377-V380 PolarHBondContact O-N 2.98Å; V380-I382 PolarHBondContact O-N 3.34Å; V380-L383 PolarHBondContact O-N 3.06Å; V380-I384 HydrophobicContact CG1-CD1 3.7Å; V380-I384 HydrophobicContact CG1-CG1 4.37Å; V380-I384 WeakPolarHBondContact O-CB 3.26Å; V380-I384 VanDerWaalsContact O-CG1 3.26Å; V380-I384 WeakPolarHBondContact O-CG1 3.01Å; V380-I384 PolarHBondContact O-N 3.24Å
381	I	90.3	Very high	86.5	Confident	93 Å²	93	53.5 Å²	53.5	48%	0.477	28%	0.284	S	S	.	.	H	α-helix	trans	-61.2	-45.8	179.3	-69.4	165.6	0	0	0	110.7	A377 L378 T379 I384 L385	A377-I381 WeakPolarHBondContact O-CD1 3.15Å; A377-I381 VanDerWaalsContact O-CG1 3.25Å; A377-I381 WeakPolarHBondContact O-CG1 3.5Å; A377-I381 PolarHBondContact O-N 3.23Å; L378-I381 PolarHBondContact O-N 3.3Å; T379-I381 PolarHBondContact O-N 3.48Å; I381-I384 PolarHBondContact O-N 3.04Å; I381-L385 HydrophobicContact CG2-CD1 3.71Å; I381-L385 HydrophobicContact CG2-CG 4.3Å; I381-L385 WeakPolarHBondContact O-CB 3.36Å; I381-L385 VanDerWaalsContact O-CG 3.29Å; I381-L385 WeakPolarHBondContact O-CG 3.48Å; I381-L385 PolarHBondContact O-N 3.41Å
382	I	88.4	Confident	86.5	Confident	52 Å²	52	52.9 Å²	52.9	27%	0.267	27%	0.27	S	S	.	.	H	α-helix	trans	-62.5	-46.9	179.5	-69.9	168.7	0	0	0	110.8	L378 T379 V380 I384 L385 Y386 F866	L378-I382 HydrophobicContact CD1-CD1 4Å; L378-I382 HydrophobicContact CD1-CG1 4.32Å; L378-I382 HydrophobicContact CG-CD1 3.86Å; L378-I382 VanDerWaalsContact O-CG1 3.28Å; L378-I382 WeakPolarHBondContact O-CG1 3.36Å; L378-I382 PolarHBondContact O-N 3.18Å; T379-I382 PolarHBondContact O-N 3.19Å; V380-I382 PolarHBondContact O-N 3.34Å; I382-I384 PolarHBondContact O-N 3.14Å; I382-L385 PolarHBondContact O-N 2.77Å; I382-Y386 WeakPolarHBondContact O-CB 3.42Å; I382-Y386 PolarHBondContact O-N 3.42Å; I382-F866 HydrophobicContact CD1-CE2 3.87Å; I382-F866 HydrophobicContact CD1-CZ 4.08Å
383	L	85.9	Confident	86.3	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-61.1	-44	179.1	-74.4	171.1	0	0	0	112.1	T379 V380 F387 F414 I417 A869	T379-L383 HydrophobicContact CG2-CD1 4.06Å; T379-L383 WeakPolarHBondContact O-CB 3.45Å; T379-L383 WeakPolarHBondContact O-CG 3.41Å; T379-L383 PolarHBondContact O-N 3.34Å; V380-L383 PolarHBondContact O-N 3.06Å; L383-F387 VanDerWaalsContact O-CB 3.31Å; L383-F387 WeakPolarHBondContact O-CB 3.5Å; L383-F387 PolarHBondContact O-N 3.41Å; L383-F414 HydrophobicContact CB-CB 4.06Å; L383-F414 HydrophobicContact CB-CD1 3.78Å; L383-F414 HydrophobicContact CB-CD2 4.19Å; L383-F414 HydrophobicContact CB-CE1 4.25Å; L383-F414 HydrophobicContact CB-CG 3.75Å; L383-F414 HydrophobicContact CD1-CB 4.16Å; L383-F414 HydrophobicContact CD1-CD1 3.88Å; L383-F414 HydrophobicContact CD1-CG 4.28Å; L383-F414 HydrophobicContact CD2-CD1 4.22Å; L383-F414 HydrophobicContact CD2-CE1 4.27Å; L383-F414 HydrophobicContact CG-CD1 4.19Å; L383-I417 HydrophobicContact CD1-CB 4.34Å; L383-I417 HydrophobicContact CD1-CD1 4.27Å; L383-I417 HydrophobicContact CD1-CG2 4.07Å; L383-A869 HydrophobicContact CD1-CB 4.15Å; L383-A869 HydrophobicContact CD2-CB 4.12Å; L383-A869 VanDerWaalsContact CD2-O 3.28Å; L383-A869 WeakPolarHBondContact CD2-O 3.15Å; L383-A869 HydrophobicContact CG-CB 4.32Å
384	I	88	Confident	86.2	Confident	56 Å²	56	57.2 Å²	57.2	29%	0.287	30%	0.302	S	S	.	.	H	α-helix	trans	-61.4	-51.3	176.5	-73.7	176.5	0	0	0	110.9	V380 I381 I382 Y386 F387 V388 F411 F414	V380-I384 HydrophobicContact CG1-CD1 3.7Å; V380-I384 HydrophobicContact CG1-CG1 4.37Å; V380-I384 WeakPolarHBondContact O-CB 3.26Å; V380-I384 VanDerWaalsContact O-CG1 3.26Å; V380-I384 WeakPolarHBondContact O-CG1 3.01Å; V380-I384 PolarHBondContact O-N 3.24Å; I381-I384 PolarHBondContact O-N 3.04Å; I382-I384 PolarHBondContact O-N 3.14Å; I384-Y386 VanDerWaalsContact C-N 3.35Å; I384-Y386 PolarHBondContact O-N 3.15Å; I384-F387 PolarHBondContact O-N 2.92Å; I384-V388 HydrophobicContact CG2-CG2 4.45Å; I384-V388 WeakPolarHBondContact O-CB 3.35Å; I384-V388 VanDerWaalsContact O-CG2 3.26Å; I384-V388 WeakPolarHBondContact O-CG2 3.42Å; I384-V388 PolarHBondContact O-N 2.88Å; I384-F411 HydrophobicContact CB-CE1 4.32Å; I384-F411 HydrophobicContact CD1-CD1 4.14Å; I384-F411 HydrophobicContact CD1-CE1 4.42Å; I384-F411 HydrophobicContact CG1-CD1 3.83Å; I384-F411 HydrophobicContact CG1-CE1 3.91Å; I384-F411 HydrophobicContact CG2-CE1 3.9Å; I384-F414 HydrophobicContact CG1-CD2 4.24Å
385	L	88.1	Confident	85.7	Confident	94 Å²	94	54.8 Å²	54.8	49%	0.492	29%	0.293	S	S	.	.	H	α-helix	trans	-62.3	-44.2	-179.2	-74.2	173.6	0	0	0	111.2	I381 I382 V388 I389	I381-L385 HydrophobicContact CG2-CD1 3.71Å; I381-L385 HydrophobicContact CG2-CG 4.3Å; I381-L385 WeakPolarHBondContact O-CB 3.36Å; I381-L385 VanDerWaalsContact O-CG 3.29Å; I381-L385 WeakPolarHBondContact O-CG 3.48Å; I381-L385 PolarHBondContact O-N 3.41Å; I382-L385 PolarHBondContact O-N 2.77Å; L385-V388 PolarHBondContact O-N 3.11Å; L385-I389 HydrophobicContact CB-CD1 4.5Å; L385-I389 VanDerWaalsContact O-CB 3.3Å; L385-I389 WeakPolarHBondContact O-CB 3.37Å; L385-I389 WeakPolarHBondContact O-CD1 3.43Å; L385-I389 WeakPolarHBondContact O-CG1 3.26Å; L385-I389 PolarHBondContact O-N 3.28Å
386	Y	84.6	Confident	85	Confident	105 Å²	105	55.2 Å²	55.2	41%	0.412	31%	0.309	S	S	.	.	H	α-helix	trans	-61.4	-46.7	178.7	-171.8	-96.7	0	0	0	111.3	I382 I384 H390 Q873	I382-Y386 WeakPolarHBondContact O-CB 3.42Å; I382-Y386 PolarHBondContact O-N 3.42Å; I384-Y386 VanDerWaalsContact C-N 3.35Å; I384-Y386 PolarHBondContact O-N 3.15Å; Y386-H390 WeakPolarHBondContact O-CB 3.27Å; Y386-H390 PolarHBondContact O-N 3Å; Y386-Q873 HydrophobicContact CD1-CG 3.59Å; Y386-Q873 HydrophobicContact CE1-CG 3.35Å
387	F	83.2	Confident	84.3	Confident	15 Å²	15	58.5 Å²	58.5	7%	0.066	32%	0.32	C	S	.	.	H	α-helix	trans	-61.1	-46.6	176.6	177.8	-101.9	0	0	0	112.5	L383 I384 T391 Y407 Y410 F411 F414	L383-F387 VanDerWaalsContact O-CB 3.31Å; L383-F387 WeakPolarHBondContact O-CB 3.5Å; L383-F387 PolarHBondContact O-N 3.41Å; I384-F387 PolarHBondContact O-N 2.92Å; F387-T391 WeakPolarHBondContact O-CB 3.25Å; F387-T391 PolarHBondContact O-N 2.86Å; F387-T391 PolarHBondContact O-OG1 3.09Å; F387-Y407 HydrophobicContact CE1-CD1 4.34Å; F387-Y407 AromaticContact CZ-CD1 3.93Å; F387-Y407 HydrophobicContact CZ-CD1 3.93Å; F387-Y407 HydrophobicContact CZ-CE1 4.5Å; F387-Y410 HydrophobicContact CE2-CD1 4.3Å; F387-Y410 HydrophobicContact CE2-CD2 4.12Å; F387-Y410 AromaticContact CE2-CG 3.98Å; F387-Y410 HydrophobicContact CE2-CG 3.98Å; F387-Y410 HydrophobicContact CZ-CD2 4.13Å; F387-Y410 HydrophobicContact CZ-CG 4.18Å; F387-F411 HydrophobicContact CD1-CZ 4.4Å; F387-F414 HydrophobicContact CB-CE2 3.55Å; F387-F414 HydrophobicContact CB-CZ 3.83Å; F387-F414 HydrophobicContact CD1-CE2 4.27Å; F387-F414 HydrophobicContact CD2-CE2 4.24Å; F387-F414 HydrophobicContact CD2-CZ 4.12Å; F387-F414 AromaticContact CG-CE2 3.77Å; F387-F414 HydrophobicContact CG-CE2 3.77Å; F387-F414 HydrophobicContact CG-CZ 4.06Å
388	V	85.9	Confident	83.7	Confident	54 Å²	54	61.3 Å²	61.3	33%	0.327	33%	0.333	S	S	.	.	H	α-helix	trans	-66.3	-46.8	-178.3	170	0	0	0	0	111.3	I384 L385 F392 F411	I384-V388 HydrophobicContact CG2-CG2 4.45Å; I384-V388 WeakPolarHBondContact O-CB 3.35Å; I384-V388 VanDerWaalsContact O-CG2 3.26Å; I384-V388 WeakPolarHBondContact O-CG2 3.42Å; I384-V388 PolarHBondContact O-N 2.88Å; L385-V388 PolarHBondContact O-N 3.11Å; V388-F392 HydrophobicContact CB-CD2 4.37Å; V388-F392 HydrophobicContact CG1-CD2 4.06Å; V388-F392 WeakPolarHBondContact O-CB 3.49Å; V388-F392 WeakPolarHBondContact O-CD2 3.45Å; V388-F392 PolarHBondContact O-N 3.15Å; V388-F411 HydrophobicContact CG2-CE1 4.48Å; V388-F411 HydrophobicContact CG2-CZ 4.15Å
389	I	85.8	Confident	83.1	Confident	89 Å²	89	65.4 Å²	65.4	46%	0.456	34%	0.344	S	S	.	.	I	π-helix	trans	-65	-48.2	179.8	-67.8	168	0	0	0	110.1	L385 T391 A393 I394	L385-I389 HydrophobicContact CB-CD1 4.5Å; L385-I389 VanDerWaalsContact O-CB 3.3Å; L385-I389 WeakPolarHBondContact O-CB 3.37Å; L385-I389 WeakPolarHBondContact O-CD1 3.43Å; L385-I389 WeakPolarHBondContact O-CG1 3.26Å; L385-I389 PolarHBondContact O-N 3.28Å; I389-T391 PolarHBondContact O-N 2.67Å; I389-A393 HydrophobicContact CG2-CB 4.41Å; I389-A393 CarbonylContact O-C 3.6Å; I389-A393 WeakPolarHBondContact O-CA 3.44Å; I389-A393 VanDerWaalsContact O-CB 3.24Å; I389-A393 WeakPolarHBondContact O-CB 3.45Å; I389-A393 PolarHBondContact O-N 2.92Å; I389-I394 HydrophobicContact CG2-CD1 4.23Å; I389-I394 HydrophobicContact CG2-CG1 4.33Å; I389-I394 PolarHBondContact O-N 3.17Å
390	H	81.7	Confident	82.6	Confident	61 Å²	61	68.6 Å²	68.6	28%	0.282	36%	0.36	S	S	.	.	I	π-helix	trans	-64.1	-43.3	-177.8	-171	-91.3	0	0	0	112	Y386 Q395	Y386-H390 WeakPolarHBondContact O-CB 3.27Å; Y386-H390 PolarHBondContact O-N 3Å; H390-Q395 PolarHBondContact CE1-NE2 3.38Å; H390-Q395 WeakPolarHBondContact O-CB 3.39Å; H390-Q395 WeakPolarHBondContact O-CG 3.05Å; H390-Q395 PolarHBondContact O-N 3.45Å
391	T	80.7	Confident	81.8	Confident	12 Å²	12	71.5 Å²	71.5	7%	0.074	39%	0.387	C	S	.	.	I	π-helix	trans	-80.6	-44.8	-174.2	-48.8	0	0	0	0	113.1	F387 I389 Q395 R397	F387-T391 WeakPolarHBondContact O-CB 3.25Å; F387-T391 PolarHBondContact O-N 2.86Å; F387-T391 PolarHBondContact O-OG1 3.09Å; I389-T391 PolarHBondContact O-N 2.67Å; T391-Q395 WeakPolarHBondContact O-CB 3.41Å; T391-R397 PolarHBondContact O-N 3.07Å
392	F	83.8	Confident	80.8	Confident	44 Å²	44	74.6 Å²	74.6	19%	0.193	40%	0.399	C	S	.	.	I	π-helix	trans	-97.2	-32.4	-173.2	-59.6	-69.6	0	0	0	113.2	V388 R397 W399 Y407	V388-F392 HydrophobicContact CB-CD2 4.37Å; V388-F392 HydrophobicContact CG1-CD2 4.06Å; V388-F392 WeakPolarHBondContact O-CB 3.49Å; V388-F392 WeakPolarHBondContact O-CD2 3.45Å; V388-F392 PolarHBondContact O-N 3.15Å; F392-R397 WeakPolarHBondContact CD1-O 3.39Å; F392-W399 HydrophobicContact CE1-CB 4.37Å; F392-W399 HydrophobicContact CE1-CD2 4.45Å; F392-W399 AromaticContact CE1-CE3 3.76Å; F392-W399 HydrophobicContact CE1-CE3 3.76Å; F392-W399 HydrophobicContact CE1-CZ3 4.48Å; F392-W399 AromaticContact CE2-CE3 3.91Å; F392-W399 HydrophobicContact CE2-CE3 3.91Å; F392-W399 AromaticContact CE2-CZ3 3.86Å; F392-W399 HydrophobicContact CE2-CZ3 3.86Å; F392-W399 HydrophobicContact CZ-CD2 4.29Å; F392-W399 AromaticContact CZ-CE3 3.34Å; F392-W399 HydrophobicContact CZ-CE3 3.34Å; F392-W399 AromaticContact CZ-CZ3 3.63Å; F392-W399 HydrophobicContact CZ-CZ3 3.63Å; F392-Y407 HydrophobicContact CE1-CE2 4.27Å; F392-Y407 HydrophobicContact CZ-CD2 4.23Å; F392-Y407 HydrophobicContact CZ-CE2 4.07Å
393	A	82.1	Confident	79.9	Confident	76 Å²	76	72.2 Å²	72.2	63%	0.628	39%	0.387	S	S	*	.	I	π-helix	trans	-94	-45.8	-178.4	0	0	0	0	0	113.1	I389	I389-A393 HydrophobicContact CG2-CB 4.41Å; I389-A393 CarbonylContact O-C 3.6Å; I389-A393 WeakPolarHBondContact O-CA 3.44Å; I389-A393 VanDerWaalsContact O-CB 3.24Å; I389-A393 WeakPolarHBondContact O-CB 3.45Å; I389-A393 PolarHBondContact O-N 2.92Å
394	I	81.9	Confident	79.4	Confident	122 Å²	122	73.7 Å²	73.7	63%	0.626	40%	0.396	S	S	*	.	I	π-helix	trans	-83.7	-51.5	-177.4	-58.9	176.8	0	0	0	111.2	I389 G396	I389-I394 HydrophobicContact CG2-CD1 4.23Å; I389-I394 HydrophobicContact CG2-CG1 4.33Å; I389-I394 PolarHBondContact O-N 3.17Å; I394-G396 PolarHBondContact O-N 3.03Å
395	Q	79.1	Confident	78.6	Confident	90 Å²	90	72.6 Å²	72.6	42%	0.421	39%	0.393	S	S	.	.	S	Bend	trans	-76.5	-10.4	178.2	-69.4	-179.7	-8.1	0	0	113.3	H390 T391 R397	H390-Q395 PolarHBondContact CE1-NE2 3.38Å; H390-Q395 WeakPolarHBondContact O-CB 3.39Å; H390-Q395 WeakPolarHBondContact O-CG 3.05Å; H390-Q395 PolarHBondContact O-N 3.45Å; T391-Q395 WeakPolarHBondContact O-CB 3.41Å; Q395-R397 VanDerWaalsContact C-N 3.27Å; Q395-R397 HydrophobicContact CB-CG 4.27Å; Q395-R397 PolarHBondContact O-N 3.07Å
396	G	73.4	Confident	77.9	Confident	55 Å²	55	71.6 Å²	71.6	57%	0.567	39%	0.387	S	S	*	.			trans	65.1	22	174.3	0	0	0	0	0	115.2	I394	I394-G396 PolarHBondContact O-N 3.03Å
397	R	72.9	Confident	77.6	Confident	80 Å²	80	67.2 Å²	67.2	30%	0.302	37%	0.37	S	S	.	.			trans	-72.9	140.3	-179.3	-62.5	-173.3	-178.6	-168.7	1.5	110.7	C133 T391 F392 Q395	C133-R397 PolarHBondContact O-NH1 3.08Å; T391-R397 PolarHBondContact O-N 3.07Å; F392-R397 WeakPolarHBondContact CD1-O 3.39Å; Q395-R397 VanDerWaalsContact C-N 3.27Å; Q395-R397 HydrophobicContact CB-CG 4.27Å; Q395-R397 PolarHBondContact O-N 3.07Å
398	T	76.1	Confident	77.4	Confident	106 Å²	106	70.2 Å²	70.2	65%	0.65	39%	0.386	S	S	*	.			trans	-86.4	145.6	173.3	49.7	0	0	0	0	110.8	M400	T398-M400 PolarHBondContact O-N 2.96Å; T398-M400 VanDerWaalsContact O-N 3.09Å
399	W	78.5	Confident	76.8	Confident	142 Å²	142	70.1 Å²	70.1	54%	0.538	38%	0.382	S	S	.	.			trans	-70.9	104.3	177.6	-170.5	-67.7	0	0	0	110.3	F392 T404 Y407 F411	F392-W399 HydrophobicContact CE1-CB 4.37Å; F392-W399 HydrophobicContact CE1-CD2 4.45Å; F392-W399 AromaticContact CE1-CE3 3.76Å; F392-W399 HydrophobicContact CE1-CE3 3.76Å; F392-W399 HydrophobicContact CE1-CZ3 4.48Å; F392-W399 AromaticContact CE2-CE3 3.91Å; F392-W399 HydrophobicContact CE2-CE3 3.91Å; F392-W399 AromaticContact CE2-CZ3 3.86Å; F392-W399 HydrophobicContact CE2-CZ3 3.86Å; F392-W399 HydrophobicContact CZ-CD2 4.29Å; F392-W399 AromaticContact CZ-CE3 3.34Å; F392-W399 HydrophobicContact CZ-CE3 3.34Å; F392-W399 AromaticContact CZ-CZ3 3.63Å; F392-W399 HydrophobicContact CZ-CZ3 3.63Å; W399-T404 HydrophobicContact CZ2-CG2 4.23Å; W399-Y407 HydrophobicContact CD2-CD2 4.49Å; W399-Y407 HydrophobicContact CH2-CD2 4.49Å; W399-Y407 HydrophobicContact CZ2-CD2 4.36Å; W399-F411 HydrophobicContact CH2-CE2 4.47Å
400	M	76.1	Confident	76.3	Confident	67 Å²	67	68.4 Å²	68.4	33%	0.33	37%	0.37	S	S	.	.			trans	-94.9	133.1	176.9	-68.2	-171.7	-74.5	0	0	111.3	A132 T398 E402 C403 T404	A132-M400 WeakPolarHBondContact O-CE 3.46Å; T398-M400 PolarHBondContact O-N 2.96Å; T398-M400 VanDerWaalsContact O-N 3.09Å; M400-E402 PolarHBondContact O-N 3.35Å; M400-C403 PolarHBondContact O-N 3.27Å; M400-C403 VanDerWaalsContact O-N 3.17Å; M400-T404 PolarHBondContact O-N 3.34Å; M400-T404 PolarHBondContact O-OG1 3.27Å
401	A	71	Confident	76.3	Confident	85 Å²	85	68.2 Å²	68.2	70%	0.702	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-59.4	-34.8	-177.8	0	0	0	0	0	112.7	C403 T404	A401-C403 VanDerWaalsContact C-N 3.34Å; A401-C403 PolarHBondContact O-N 3.48Å; A401-T404 WeakPolarHBondContact CA-OG1 3.47Å; A401-T404 WeakPolarHBondContact O-CB 3.49Å; A401-T404 PolarHBondContact O-N 2.94Å; A401-T404 PolarHBondContact O-OG1 3.13Å
402	E	70.3	Confident	76.1	Confident	158 Å²	158	68.9 Å²	68.9	74%	0.738	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-67.4	-29.4	179.7	-64.4	173.9	-173.8	0	0	113.3	M400	M400-E402 PolarHBondContact O-N 3.35Å
403	C	69.5	Low	75.7	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.007	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-93.4	-1.1	-179.7	-42.7	0	0	0	0	113.2	C133 M400 A401 P405 I406 Y407	C133-C403 WeakPolarHBondContact CA-SG 3.35Å; C133-C403 HydrophobicContact CB-CB 3.92Å; C133-C403 WeakPolarHBondContact CB-SG 3.5Å; C133-C403 WeakPolarHBondContact SG-CB 3.37Å; C133-C403 CovalentContact SG-SG 2.04Å; C133-C403 PolarHBondContact SG-SG 2.92Å; M400-C403 PolarHBondContact O-N 3.27Å; M400-C403 VanDerWaalsContact O-N 3.17Å; A401-C403 VanDerWaalsContact C-N 3.34Å; A401-C403 PolarHBondContact O-N 3.48Å; C403-P405 VanDerWaalsContact C-CD 3.43Å; C403-I406 PolarHBondContact O-N 2.89Å; C403-I406 VanDerWaalsContact O-N 3.14Å; C403-Y407 HydrophobicContact CB-CE2 3.95Å; C403-Y407 PolarHBondContact O-N 2.96Å
404	T	75.6	Confident	75.8	Confident	36 Å²	36	65 Å²	65	22%	0.221	34%	0.341	C	S	.	.	H	α-helix	trans	-53.9	-42	-179.5	-50.6	0	0	0	0	113.6	W399 M400 A401 I406 Y407 I408	W399-T404 HydrophobicContact CZ2-CG2 4.23Å; M400-T404 PolarHBondContact O-N 3.34Å; M400-T404 PolarHBondContact O-OG1 3.27Å; A401-T404 WeakPolarHBondContact CA-OG1 3.47Å; A401-T404 WeakPolarHBondContact O-CB 3.49Å; A401-T404 PolarHBondContact O-N 2.94Å; A401-T404 PolarHBondContact O-OG1 3.13Å; T404-I406 VanDerWaalsContact C-N 3.29Å; T404-I406 PolarHBondContact O-N 2.82Å; T404-Y407 PolarHBondContact O-N 2.79Å; T404-I408 HydrophobicContact CG2-CD1 3.84Å; T404-I408 HydrophobicContact CG2-CG1 4.33Å; T404-I408 WeakPolarHBondContact O-CG1 3.23Å; T404-I408 PolarHBondContact O-N 3.23Å
405	P	71.6	Confident	75.8	Confident	33 Å²	33	64.1 Å²	64.1	21%	0.214	33%	0.333	C	S	.	.	H	α-helix	trans	-59.6	-37	178.3	-25	36.1	0	0	0	113.5	Y123 C403 I408 Q409	Y123-P405 HydrophobicContact CE1-CG 4.37Å; C403-P405 VanDerWaalsContact C-CD 3.43Å; P405-I408 PolarHBondContact O-N 3.31Å; P405-Q409 PolarHBondContact O-N 3.45Å
406	I	73	Confident	75.7	Confident	73 Å²	73	60.3 Å²	60.3	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-68.3	-43.5	179.2	-62.3	167	0	0	0	110.2	C133 C403 T404 I408 Q409 Y410	C133-I406 HydrophobicContact CB-CD1 4.42Å; C403-I406 PolarHBondContact O-N 2.89Å; C403-I406 VanDerWaalsContact O-N 3.14Å; T404-I406 VanDerWaalsContact C-N 3.29Å; T404-I406 PolarHBondContact O-N 2.82Å; I406-I408 VanDerWaalsContact C-N 3.34Å; I406-I408 PolarHBondContact O-N 3.25Å; I406-Q409 WeakPolarHBondContact O-CB 3.14Å; I406-Q409 PolarHBondContact O-N 3.18Å; I406-Q409 VanDerWaalsContact O-N 3.17Å; I406-Y410 HydrophobicContact CG2-CD2 4.25Å; I406-Y410 HydrophobicContact CG2-CE2 4.01Å; I406-Y410 WeakPolarHBondContact O-CD2 3.39Å; I406-Y410 PolarHBondContact O-N 2.84Å
407	Y	78.5	Confident	76	Confident	12 Å²	12	58.4 Å²	58.4	5%	0.047	29%	0.292	C	S	.	.	H	α-helix	trans	-63.6	-39.8	176	-57.7	-35.5	0	0	0	112	F387 F392 W399 C403 T404 Q409 Y410 F411	F387-Y407 HydrophobicContact CE1-CD1 4.34Å; F387-Y407 AromaticContact CZ-CD1 3.93Å; F387-Y407 HydrophobicContact CZ-CD1 3.93Å; F387-Y407 HydrophobicContact CZ-CE1 4.5Å; F392-Y407 HydrophobicContact CE1-CE2 4.27Å; F392-Y407 HydrophobicContact CZ-CD2 4.23Å; F392-Y407 HydrophobicContact CZ-CE2 4.07Å; W399-Y407 HydrophobicContact CD2-CD2 4.49Å; W399-Y407 HydrophobicContact CH2-CD2 4.49Å; W399-Y407 HydrophobicContact CZ2-CD2 4.36Å; C403-Y407 HydrophobicContact CB-CE2 3.95Å; C403-Y407 PolarHBondContact O-N 2.96Å; T404-Y407 PolarHBondContact O-N 2.79Å; Y407-Q409 VanDerWaalsContact C-N 3.29Å; Y407-Q409 PolarHBondContact O-N 2.89Å; Y407-Y410 PolarHBondContact O-N 3.33Å; Y407-F411 WeakPolarHBondContact O-CD2 3.4Å; Y407-F411 PolarHBondContact O-N 3.21Å; Y407-F411 VanDerWaalsContact O-N 3.11Å
408	I	78.5	Confident	76.5	Confident	78 Å²	78	54.6 Å²	54.6	40%	0.4	28%	0.278	S	S	.	.	H	α-helix	trans	-60.8	-39.7	173.6	-68.2	168.7	0	0	0	110.9	L120 T404 P405 I406 Y410 F411 V412	L120-I408 HydrophobicContact CD1-CG2 4.33Å; T404-I408 HydrophobicContact CG2-CD1 3.84Å; T404-I408 HydrophobicContact CG2-CG1 4.33Å; T404-I408 WeakPolarHBondContact O-CG1 3.23Å; T404-I408 PolarHBondContact O-N 3.23Å; P405-I408 PolarHBondContact O-N 3.31Å; I406-I408 VanDerWaalsContact C-N 3.34Å; I406-I408 PolarHBondContact O-N 3.25Å; I408-Y410 VanDerWaalsContact C-N 3.34Å; I408-Y410 PolarHBondContact O-N 2.7Å; I408-F411 PolarHBondContact O-N 3.31Å; I408-V412 HydrophobicContact CG2-CG2 4.43Å; I408-V412 WeakPolarHBondContact O-CG2 3.36Å; I408-V412 PolarHBondContact O-N 2.86Å
409	Q	72.3	Confident	76.7	Confident	52 Å²	52	50 Å²	50	24%	0.243	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-40.2	177	-163.4	-179.7	-0.8	0	0	112.2	P405 I406 Y407 V412 K413 L959 H960	P405-Q409 PolarHBondContact O-N 3.45Å; I406-Q409 WeakPolarHBondContact O-CB 3.14Å; I406-Q409 PolarHBondContact O-N 3.18Å; I406-Q409 VanDerWaalsContact O-N 3.17Å; Y407-Q409 VanDerWaalsContact C-N 3.29Å; Y407-Q409 PolarHBondContact O-N 2.89Å; Q409-V412 PolarHBondContact O-N 3.4Å; Q409-K413 PolarHBondContact O-N 3.03Å; Q409-L959 HydrophobicContact CG-CD2 4.17Å; Q409-H960 PolarHBondContact NE2-NE2 3.32Å
410	Y	76.1	Confident	76.7	Confident	54 Å²	54	43.9 Å²	43.9	21%	0.212	23%	0.228	C	C	.	.	H	α-helix	trans	-64	-42.5	172.6	-81.6	-77.4	0	0	0	112.6	F387 I406 Y407 I408 V412 K413 F414	F387-Y410 HydrophobicContact CE2-CD1 4.3Å; F387-Y410 HydrophobicContact CE2-CD2 4.12Å; F387-Y410 AromaticContact CE2-CG 3.98Å; F387-Y410 HydrophobicContact CE2-CG 3.98Å; F387-Y410 HydrophobicContact CZ-CD2 4.13Å; F387-Y410 HydrophobicContact CZ-CG 4.18Å; I406-Y410 HydrophobicContact CG2-CD2 4.25Å; I406-Y410 HydrophobicContact CG2-CE2 4.01Å; I406-Y410 WeakPolarHBondContact O-CD2 3.39Å; I406-Y410 PolarHBondContact O-N 2.84Å; Y407-Y410 PolarHBondContact O-N 3.33Å; I408-Y410 VanDerWaalsContact C-N 3.34Å; I408-Y410 PolarHBondContact O-N 2.7Å; Y410-V412 VanDerWaalsContact C-N 3.33Å; Y410-V412 PolarHBondContact O-N 3.15Å; Y410-K413 WeakPolarHBondContact O-CB 3.46Å; Y410-K413 PolarHBondContact O-N 3.07Å; Y410-F414 HydrophobicContact CD1-CZ 4.29Å; Y410-F414 VanDerWaalsContact O-CD2 3.27Å; Y410-F414 WeakPolarHBondContact O-CD2 3.2Å; Y410-F414 VanDerWaalsContact O-CG 3.27Å; Y410-F414 WeakPolarHBondContact O-CG 3.36Å; Y410-F414 PolarHBondContact O-N 3.48Å
411	F	82.1	Confident	77	Confident	57 Å²	57	40.8 Å²	40.8	25%	0.25	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-41.2	175.8	-73.9	-62	0	0	0	112.5	I384 F387 V388 W399 Y407 I408 F414 F415	I384-F411 HydrophobicContact CB-CE1 4.32Å; I384-F411 HydrophobicContact CD1-CD1 4.14Å; I384-F411 HydrophobicContact CD1-CE1 4.42Å; I384-F411 HydrophobicContact CG1-CD1 3.83Å; I384-F411 HydrophobicContact CG1-CE1 3.91Å; I384-F411 HydrophobicContact CG2-CE1 3.9Å; F387-F411 HydrophobicContact CD1-CZ 4.4Å; V388-F411 HydrophobicContact CG2-CE1 4.48Å; V388-F411 HydrophobicContact CG2-CZ 4.15Å; W399-F411 HydrophobicContact CH2-CE2 4.47Å; Y407-F411 WeakPolarHBondContact O-CD2 3.4Å; Y407-F411 PolarHBondContact O-N 3.21Å; Y407-F411 VanDerWaalsContact O-N 3.11Å; I408-F411 PolarHBondContact O-N 3.31Å; F411-F414 PolarHBondContact O-N 3.21Å; F411-F415 WeakPolarHBondContact O-CB 3.44Å; F411-F415 PolarHBondContact O-N 3.24Å
412	V	76.4	Confident	77.6	Confident	25 Å²	25	38 Å²	38	15%	0.152	19%	0.186	C	C	.	.	H	α-helix	trans	-64.3	-41.3	174.9	171	0	0	0	0	110.9	I116 L120 I408 Q409 Y410 F414 F415 I416	I116-V412 HydrophobicContact CG2-CG1 4.1Å; I116-V412 HydrophobicContact CG2-CG2 4.04Å; L120-V412 HydrophobicContact CD1-CB 4.11Å; L120-V412 HydrophobicContact CD1-CG1 4.27Å; L120-V412 HydrophobicContact CD1-CG2 3.65Å; I408-V412 HydrophobicContact CG2-CG2 4.43Å; I408-V412 WeakPolarHBondContact O-CG2 3.36Å; I408-V412 PolarHBondContact O-N 2.86Å; Q409-V412 PolarHBondContact O-N 3.4Å; Y410-V412 VanDerWaalsContact C-N 3.33Å; Y410-V412 PolarHBondContact O-N 3.15Å; V412-F414 PolarHBondContact O-N 3.07Å; V412-F415 WeakPolarHBondContact O-CB 3.45Å; V412-F415 PolarHBondContact O-N 3.11Å; V412-I416 HydrophobicContact CG1-CD1 3.83Å; V412-I416 HydrophobicContact CG1-CG1 4.42Å; V412-I416 VanDerWaalsContact O-CG1 3.29Å; V412-I416 WeakPolarHBondContact O-CG1 3.42Å; V412-I416 PolarHBondContact O-N 3.05Å
413	K	75.1	Confident	78	Confident	35 Å²	35	30.7 Å²	30.7	15%	0.152	15%	0.152	C	C	.	.	H	α-helix	trans	-59.4	-47	173.8	-174	-178.1	178.3	-173.1	0	112	Q409 Y410 F415 I416 I417 D874 L959	Q409-K413 PolarHBondContact O-N 3.03Å; Y410-K413 WeakPolarHBondContact O-CB 3.46Å; Y410-K413 PolarHBondContact O-N 3.07Å; K413-F415 VanDerWaalsContact C-N 3.29Å; K413-F415 PolarHBondContact O-N 3.22Å; K413-I416 PolarHBondContact O-N 2.95Å; K413-I417 HydrophobicContact CG-CD1 4.33Å; K413-I417 WeakPolarHBondContact O-CG1 3.33Å; K413-I417 PolarHBondContact O-N 3.38Å; K413-D874 WeakPolarHBondContact CE-OD2 3.18Å; K413-D874 IonicContact NZ-OD1 3.87Å; K413-D874 IonicContact NZ-OD2 2.78Å; K413-D874 PolarHBondContact NZ-OD2 3.29Å; K413-L959 HydrophobicContact CD-CD1 3.83Å
414	F	83.6	Confident	78.5	Confident	5 Å²	5	30.9 Å²	30.9	2%	0.022	15%	0.153	C	C	.	.	H	α-helix	trans	-62.7	-37.7	177.4	-58.7	-33.5	0	0	0	112.2	L383 I384 F387 Y410 F411 V412 I417 G418	L383-F414 HydrophobicContact CB-CB 4.06Å; L383-F414 HydrophobicContact CB-CD1 3.78Å; L383-F414 HydrophobicContact CB-CD2 4.19Å; L383-F414 HydrophobicContact CB-CE1 4.25Å; L383-F414 HydrophobicContact CB-CG 3.75Å; L383-F414 HydrophobicContact CD1-CB 4.16Å; L383-F414 HydrophobicContact CD1-CD1 3.88Å; L383-F414 HydrophobicContact CD1-CG 4.28Å; L383-F414 HydrophobicContact CD2-CD1 4.22Å; L383-F414 HydrophobicContact CD2-CE1 4.27Å; L383-F414 HydrophobicContact CG-CD1 4.19Å; I384-F414 HydrophobicContact CG1-CD2 4.24Å; F387-F414 HydrophobicContact CB-CE2 3.55Å; F387-F414 HydrophobicContact CB-CZ 3.83Å; F387-F414 HydrophobicContact CD1-CE2 4.27Å; F387-F414 HydrophobicContact CD2-CE2 4.24Å; F387-F414 HydrophobicContact CD2-CZ 4.12Å; F387-F414 AromaticContact CG-CE2 3.77Å; F387-F414 HydrophobicContact CG-CE2 3.77Å; F387-F414 HydrophobicContact CG-CZ 4.06Å; Y410-F414 HydrophobicContact CD1-CZ 4.29Å; Y410-F414 VanDerWaalsContact O-CD2 3.27Å; Y410-F414 WeakPolarHBondContact O-CD2 3.2Å; Y410-F414 VanDerWaalsContact O-CG 3.27Å; Y410-F414 WeakPolarHBondContact O-CG 3.36Å; Y410-F414 PolarHBondContact O-N 3.48Å; F411-F414 PolarHBondContact O-N 3.21Å; V412-F414 PolarHBondContact O-N 3.07Å; F414-I417 PolarHBondContact O-N 3.44Å; F414-G418 PolarHBondContact O-N 3.38Å
415	F	82.2	Confident	78.8	Confident	103 Å²	103	29.4 Å²	29.4	45%	0.452	15%	0.145	S	C	.	.	H	α-helix	trans	-64.4	-43.5	174.1	-174.3	-102.7	0	0	0	112.1	A113 F411 V412 K413 I417 G418 V419	A113-F415 HydrophobicContact CB-CE1 4.47Å; F411-F415 WeakPolarHBondContact O-CB 3.44Å; F411-F415 PolarHBondContact O-N 3.24Å; V412-F415 WeakPolarHBondContact O-CB 3.45Å; V412-F415 PolarHBondContact O-N 3.11Å; K413-F415 VanDerWaalsContact C-N 3.29Å; K413-F415 PolarHBondContact O-N 3.22Å; F415-I417 VanDerWaalsContact C-N 3.33Å; F415-I417 PolarHBondContact O-N 3.04Å; F415-G418 WeakPolarHBondContact O-CA 3.45Å; F415-G418 PolarHBondContact O-N 3.16Å; F415-G418 VanDerWaalsContact O-N 3.12Å; F415-V419 HydrophobicContact CD1-CG2 4.11Å; F415-V419 HydrophobicContact CE1-CG2 3.71Å; F415-V419 HydrophobicContact CZ-CG2 3.93Å; F415-V419 WeakPolarHBondContact O-CG2 3.42Å; F415-V419 PolarHBondContact O-N 2.91Å
416	I	76.9	Confident	79.2	Confident	10 Å²	10	29.5 Å²	29.5	5%	0.051	15%	0.145	C	C	.	.	H	α-helix	trans	-60.8	-41.5	175.3	-69.1	163.6	0	0	0	111.1	A113 I156 V412 K413 G418 V419 T420	A113-I416 HydrophobicContact CB-CG1 4.06Å; I156-I416 HydrophobicContact CD1-CG2 4.42Å; V412-I416 HydrophobicContact CG1-CD1 3.83Å; V412-I416 HydrophobicContact CG1-CG1 4.42Å; V412-I416 VanDerWaalsContact O-CG1 3.29Å; V412-I416 WeakPolarHBondContact O-CG1 3.42Å; V412-I416 PolarHBondContact O-N 3.05Å; K413-I416 PolarHBondContact O-N 2.95Å; I416-G418 VanDerWaalsContact C-N 3.32Å; I416-G418 PolarHBondContact O-N 3.36Å; I416-V419 PolarHBondContact O-N 3.08Å; I416-T420 WeakPolarHBondContact O-CB 3.16Å; I416-T420 PolarHBondContact O-N 2.95Å; I416-T420 PolarHBondContact O-OG1 3.05Å
417	I	79.1	Confident	79.2	Confident	14 Å²	14	26.2 Å²	26.2	7%	0.072	13%	0.128	C	C	.	.	H	α-helix	trans	-60.3	-45	174	-67.2	168.1	0	0	0	110	T379 L383 K413 F414 F415 T420 V421 A869	T379-I417 HydrophobicContact CG2-CG2 4.43Å; L383-I417 HydrophobicContact CD1-CB 4.34Å; L383-I417 HydrophobicContact CD1-CD1 4.27Å; L383-I417 HydrophobicContact CD1-CG2 4.07Å; K413-I417 HydrophobicContact CG-CD1 4.33Å; K413-I417 WeakPolarHBondContact O-CG1 3.33Å; K413-I417 PolarHBondContact O-N 3.38Å; F414-I417 PolarHBondContact O-N 3.44Å; F415-I417 VanDerWaalsContact C-N 3.33Å; F415-I417 PolarHBondContact O-N 3.04Å; I417-T420 WeakPolarHBondContact O-CB 3.5Å; I417-T420 PolarHBondContact O-N 3.42Å; I417-V421 WeakPolarHBondContact O-CG2 3.23Å; I417-V421 PolarHBondContact O-N 3.45Å; I417-A869 HydrophobicContact CG2-CB 4.49Å
418	G	83.3	Confident	78.9	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-57.3	-49.4	174.3	0	0	0	0	0	113.4	S376 F414 F415 I416 T420 V421 L422	S376-G418 WeakPolarHBondContact CB-O 3.42Å; S376-G418 PolarHBondContact OG-O 3.14Å; F414-G418 PolarHBondContact O-N 3.38Å; F415-G418 WeakPolarHBondContact O-CA 3.45Å; F415-G418 PolarHBondContact O-N 3.16Å; F415-G418 VanDerWaalsContact O-N 3.12Å; I416-G418 VanDerWaalsContact C-N 3.32Å; I416-G418 PolarHBondContact O-N 3.36Å; G418-T420 VanDerWaalsContact C-N 3.31Å; G418-T420 PolarHBondContact O-N 2.82Å; G418-V421 PolarHBondContact O-N 3.23Å; G418-L422 PolarHBondContact O-N 2.83Å
419	V	81.1	Confident	78.4	Confident	8 Å²	8	24.5 Å²	24.5	5%	0.048	12%	0.12	C	C	.	.	H	α-helix	trans	-62.2	-40.1	177.1	175.4	0	0	0	0	110.9	I109 L110 F415 I416 V421 L422 V423	I109-V419 HydrophobicContact CG2-CG1 4Å; I109-V419 HydrophobicContact CG2-CG2 3.73Å; L110-V419 HydrophobicContact CB-CG1 4.23Å; L110-V419 HydrophobicContact CD1-CG1 3.97Å; F415-V419 HydrophobicContact CD1-CG2 4.11Å; F415-V419 HydrophobicContact CE1-CG2 3.71Å; F415-V419 HydrophobicContact CZ-CG2 3.93Å; F415-V419 WeakPolarHBondContact O-CG2 3.42Å; F415-V419 PolarHBondContact O-N 2.91Å; I416-V419 PolarHBondContact O-N 3.08Å; V419-V421 PolarHBondContact O-N 3.29Å; V419-L422 WeakPolarHBondContact O-CB 3.27Å; V419-L422 PolarHBondContact O-N 3.04Å; V419-L422 VanDerWaalsContact O-N 3.12Å; V419-V423 HydrophobicContact CG1-CG2 4.31Å; V419-V423 WeakPolarHBondContact O-CG2 3.42Å; V419-V423 PolarHBondContact O-N 3.01Å
420	T	77.5	Confident	78.6	Confident	14 Å²	14	22.1 Å²	22.1	9%	0.086	11%	0.108	C	C	.	.	H	α-helix	trans	-62	-42.8	176.6	-55.9	0	0	0	0	111.4	I416 I417 G418 L422 V423 V424 A879 M882	I416-T420 WeakPolarHBondContact O-CB 3.16Å; I416-T420 PolarHBondContact O-N 2.95Å; I416-T420 PolarHBondContact O-OG1 3.05Å; I417-T420 WeakPolarHBondContact O-CB 3.5Å; I417-T420 PolarHBondContact O-N 3.42Å; G418-T420 VanDerWaalsContact C-N 3.31Å; G418-T420 PolarHBondContact O-N 2.82Å; T420-L422 VanDerWaalsContact C-N 3.3Å; T420-L422 PolarHBondContact O-N 3.04Å; T420-V423 PolarHBondContact O-N 3.25Å; T420-V424 PolarHBondContact O-N 2.99Å; T420-V424 VanDerWaalsContact O-N 3.09Å; T420-A879 HydrophobicContact CG2-CB 4.4Å; T420-M882 HydrophobicContact CG2-CB 3.69Å; T420-M882 HydrophobicContact CG2-CG 3.86Å
421	V	82.8	Confident	78.2	Confident	3 Å²	3	23 Å²	23	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-61.1	-39.7	173.5	171.7	0	0	0	0	111.1	I417 G418 V419 A425 A865	I417-V421 WeakPolarHBondContact O-CG2 3.23Å; I417-V421 PolarHBondContact O-N 3.45Å; G418-V421 PolarHBondContact O-N 3.23Å; V419-V421 PolarHBondContact O-N 3.29Å; V421-A425 WeakPolarHBondContact O-CB 3.27Å; V421-A425 PolarHBondContact O-N 3.23Å; V421-A865 HydrophobicContact CG2-CB 3.77Å
422	L	83.5	Confident	77.7	Confident	26 Å²	26	21.1 Å²	21.1	14%	0.136	11%	0.113	C	C	.	.	H	α-helix	trans	-65.5	-47.6	177.6	-179.6	62	0	0	0	112.1	L373 G418 V419 T420 V424 A425 V426	L373-L422 HydrophobicContact CB-CD1 4.21Å; L373-L422 HydrophobicContact CD1-CD1 4.35Å; L373-L422 HydrophobicContact CD1-CD2 4.31Å; G418-L422 PolarHBondContact O-N 2.83Å; V419-L422 WeakPolarHBondContact O-CB 3.27Å; V419-L422 PolarHBondContact O-N 3.04Å; V419-L422 VanDerWaalsContact O-N 3.12Å; T420-L422 VanDerWaalsContact C-N 3.3Å; T420-L422 PolarHBondContact O-N 3.04Å; L422-V424 VanDerWaalsContact C-N 3.29Å; L422-V424 PolarHBondContact O-N 3.39Å; L422-A425 PolarHBondContact O-N 3.18Å; L422-A425 VanDerWaalsContact O-N 3.12Å; L422-V426 HydrophobicContact CD1-CG2 3.94Å; L422-V426 HydrophobicContact CG-CG2 4.49Å; L422-V426 WeakPolarHBondContact O-CG2 3.3Å; L422-V426 PolarHBondContact O-N 3.2Å
423	V	78.7	Confident	77.7	Confident	5 Å²	5	20 Å²	20	3%	0.03	11%	0.106	C	C	.	.	H	α-helix	trans	-59.8	-40.5	179.4	169.4	0	0	0	0	111.1	V419 T420 L883 N886	V419-V423 HydrophobicContact CG1-CG2 4.31Å; V419-V423 WeakPolarHBondContact O-CG2 3.42Å; V419-V423 PolarHBondContact O-N 3.01Å; T420-V423 PolarHBondContact O-N 3.25Å; V423-L883 HydrophobicContact CG1-CD2 4.1Å; V423-N886 PolarHBondContact O-ND2 3.47Å
424	V	79.9	Confident	77.9	Confident	4 Å²	4	18.8 Å²	18.8	2%	0.024	10%	0.102	C	C	.	.	H	α-helix	trans	-74.6	-31.8	176.2	172.8	0	0	0	0	112.2	T420 L422 N858 A861 M882	T420-V424 PolarHBondContact O-N 2.99Å; T420-V424 VanDerWaalsContact O-N 3.09Å; L422-V424 VanDerWaalsContact C-N 3.29Å; L422-V424 PolarHBondContact O-N 3.39Å; V424-N858 PolarHBondContact O-OD1 3.42Å; V424-A861 HydrophobicContact CG1-CB 3.49Å; V424-A861 VanDerWaalsContact CG1-CB 3.49Å; V424-M882 HydrophobicContact CB-CE 4.07Å; V424-M882 HydrophobicContact CG1-CE 4.04Å; V424-M882 HydrophobicContact CG2-CB 3.95Å; V424-M882 HydrophobicContact CG2-CE 3.64Å; V424-M882 HydrophobicContact CG2-CG 4.47Å; V424-M882 HydrophobicContact CG2-SD 4.16Å
425	A	82.9	Confident	77.6	Confident	6 Å²	6	20.4 Å²	20.4	5%	0.05	11%	0.112	C	C	.	.	H	α-helix	trans	-71.8	-29.3	179	0	0	0	0	0	113.1	I368 G372 V421 L422 P427 V862	I368-A425 WeakPolarHBondContact CG2-O 3.36Å; G372-A425 VanDerWaalsContact CA-CB 3.45Å; V421-A425 WeakPolarHBondContact O-CB 3.27Å; V421-A425 PolarHBondContact O-N 3.23Å; L422-A425 PolarHBondContact O-N 3.18Å; L422-A425 VanDerWaalsContact O-N 3.12Å; A425-P427 VanDerWaalsContact O-CD 3.28Å; A425-P427 WeakPolarHBondContact O-CD 3.19Å; A425-V862 HydrophobicContact CB-CG2 3.79Å
426	V	79.3	Confident	77.5	Confident	34 Å²	34	16 Å²	16	21%	0.206	9%	0.093	C	C	.	.	S	Bend	trans	-91.8	111	-177.4	178.9	0	0	0	0	110.1	L422 E428	L422-V426 HydrophobicContact CD1-CG2 3.94Å; L422-V426 HydrophobicContact CG-CG2 4.49Å; L422-V426 WeakPolarHBondContact O-CG2 3.3Å; L422-V426 PolarHBondContact O-N 3.2Å; V426-E428 PolarHBondContact O-N 3.34Å; V426-E428 VanDerWaalsContact O-N 3.09Å
427	P	73.9	Confident	77.8	Confident	5 Å²	5	15.6 Å²	15.6	3%	0.032	9%	0.091	C	C	.	.			trans	-83.5	92.1	-178.3	34	-36.4	0	0	0	110.9	I368 A425 G429 L430 Q854	I368-P427 HydrophobicContact CD1-CG 4.19Å; I368-P427 HydrophobicContact CG2-CG 4.16Å; A425-P427 VanDerWaalsContact O-CD 3.28Å; A425-P427 WeakPolarHBondContact O-CD 3.19Å; P427-G429 PolarHBondContact O-N 3.26Å; P427-L430 HydrophobicContact CB-CD1 4.16Å; P427-L430 HydrophobicContact CB-CD2 4.49Å; P427-L430 HydrophobicContact CB-CG 3.85Å; P427-L430 HydrophobicContact CG-CD1 3.49Å; P427-L430 VanDerWaalsContact CG-CD1 3.49Å; P427-L430 HydrophobicContact CG-CG 3.76Å; P427-L430 PolarHBondContact O-N 3.45Å; P427-Q854 HydrophobicContact CB-CG 4.07Å
428	E	72.4	Confident	78	Confident	52 Å²	52	15.5 Å²	15.5	24%	0.243	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27	178.1	-66.8	175.9	-161.1	0	0	112.3	T106 V426 L430 P431	T106-E428 PolarHBondContact OG1-OE1 3.26Å; V426-E428 PolarHBondContact O-N 3.34Å; V426-E428 VanDerWaalsContact O-N 3.09Å; E428-L430 VanDerWaalsContact C-N 3.27Å; E428-L430 PolarHBondContact O-N 3.46Å; E428-P431 WeakPolarHBondContact O-CD 3.49Å
429	G	67.9	Low	77.9	Confident	2 Å²	2	15.5 Å²	15.5	2%	0.021	9%	0.09	C	C	.	.	H	α-helix	trans	-72.2	-10.2	-179.2	0	0	0	0	0	115.2	P427 L432 A433 D890	P427-G429 PolarHBondContact O-N 3.26Å; G429-L432 PolarHBondContact O-N 3.25Å; G429-A433 WeakPolarHBondContact O-CB 3.43Å; G429-A433 PolarHBondContact O-N 3.34Å; G429-D890 VanDerWaalsContact CA-OD1 3.24Å; G429-D890 WeakPolarHBondContact CA-OD1 3.47Å; G429-D890 PolarHBondContact N-OD1 2.95Å
430	L	74.9	Confident	78	Confident	2 Å²	2	16.9 Å²	16.9	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-61.1	-53.1	-175.6	-69.5	-174.5	0	0	0	114	A365 P427 E428 L432 F850 L851	A365-L430 HydrophobicContact CB-CD1 4.12Å; P427-L430 HydrophobicContact CB-CD1 4.16Å; P427-L430 HydrophobicContact CB-CD2 4.49Å; P427-L430 HydrophobicContact CB-CG 3.85Å; P427-L430 HydrophobicContact CG-CD1 3.49Å; P427-L430 VanDerWaalsContact CG-CD1 3.49Å; P427-L430 HydrophobicContact CG-CG 3.76Å; P427-L430 PolarHBondContact O-N 3.45Å; E428-L430 VanDerWaalsContact C-N 3.27Å; E428-L430 PolarHBondContact O-N 3.46Å; L430-L432 VanDerWaalsContact C-N 3.28Å; L430-L432 PolarHBondContact O-N 3.07Å; L430-F850 HydrophobicContact CD2-CE1 3.79Å; L430-L851 HydrophobicContact CD1-CD2 4.44Å; L430-L851 HydrophobicContact CD2-CD2 3.31Å; L430-L851 HydrophobicContact CD2-CG 4.31Å
431	P	67.9	Low	78.4	Confident	71 Å²	71	16.2 Å²	16.2	46%	0.461	9%	0.091	S	C	.	.	H	α-helix	trans	-68.9	-30.9	179.3	-17.8	34.2	0	0	0	112.1	E428 T435	E428-P431 WeakPolarHBondContact O-CD 3.49Å; P431-T435 PolarHBondContact O-N 2.99Å; P431-T435 PolarHBondContact O-OG1 3.01Å
432	L	71.6	Confident	78.5	Confident	19 Å²	19	16.2 Å²	16.2	10%	0.099	9%	0.091	C	C	.	.	H	α-helix	trans	-66.4	-44.7	178.8	-178.2	60.7	0	0	0	111.4	G429 L430 V434 T435 I436	G429-L432 PolarHBondContact O-N 3.25Å; L430-L432 VanDerWaalsContact C-N 3.28Å; L430-L432 PolarHBondContact O-N 3.07Å; L432-V434 VanDerWaalsContact C-N 3.32Å; L432-V434 PolarHBondContact O-N 3.47Å; L432-T435 PolarHBondContact O-N 3.26Å; L432-I436 HydrophobicContact CD1-CD1 3.84Å; L432-I436 HydrophobicContact CD1-CG1 4.05Å; L432-I436 HydrophobicContact CD2-CD1 4.24Å; L432-I436 HydrophobicContact CG-CD1 3.63Å; L432-I436 HydrophobicContact CG-CG1 4.25Å; L432-I436 WeakPolarHBondContact O-CG1 3.2Å; L432-I436 PolarHBondContact O-N 3.2Å
433	A	78	Confident	78.5	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57.7	-41.3	179.9	0	0	0	0	0	112.9	G429 T435 S437 F850	G429-A433 WeakPolarHBondContact O-CB 3.43Å; G429-A433 PolarHBondContact O-N 3.34Å; A433-T435 VanDerWaalsContact C-N 3.33Å; A433-T435 PolarHBondContact O-N 2.94Å; A433-S437 VanDerWaalsContact O-CB 3.23Å; A433-S437 WeakPolarHBondContact O-CB 3.2Å; A433-S437 PolarHBondContact O-N 3.25Å; A433-F850 HydrophobicContact CB-CD1 3.32Å; A433-F850 HydrophobicContact CB-CE1 3.27Å; A433-F850 HydrophobicContact CB-CG 4.1Å; A433-F850 HydrophobicContact CB-CZ 4.04Å
434	V	79.1	Confident	79	Confident	11 Å²	11	23.8 Å²	23.8	7%	0.067	12%	0.122	C	C	.	.	H	α-helix	trans	-58.8	-49.4	174.5	-177.1	0	0	0	0	110.3	L361 L432 I436 S437 L438 I847	L361-V434 HydrophobicContact CD1-CG2 3.02Å; L361-V434 HydrophobicContact CG-CG2 4.49Å; L432-V434 VanDerWaalsContact C-N 3.32Å; L432-V434 PolarHBondContact O-N 3.47Å; V434-I436 PolarHBondContact O-N 2.98Å; V434-S437 PolarHBondContact O-N 3.2Å; V434-L438 WeakPolarHBondContact O-CB 3.48Å; V434-L438 PolarHBondContact O-N 3.07Å; V434-I847 HydrophobicContact CB-CD1 4.28Å; V434-I847 HydrophobicContact CG1-CD1 4.17Å; V434-I847 HydrophobicContact CG2-CD1 4.1Å
435	T	76.1	Confident	79.3	Confident	38 Å²	38	23.6 Å²	23.6	23%	0.233	12%	0.121	C	C	.	.	H	α-helix	trans	-69.1	-37.7	-173	-43.9	0	0	0	0	111.6	K174 F178 P431 L432 A433 A439	K174-T435 HydrophobicContact CD-CG2 3.57Å; K174-T435 HydrophobicContact CG-CG2 4.2Å; F178-T435 HydrophobicContact CE2-CG2 3.98Å; F178-T435 HydrophobicContact CZ-CG2 3.97Å; P431-T435 PolarHBondContact O-N 2.99Å; P431-T435 PolarHBondContact O-OG1 3.01Å; L432-T435 PolarHBondContact O-N 3.26Å; A433-T435 VanDerWaalsContact C-N 3.33Å; A433-T435 PolarHBondContact O-N 2.94Å; T435-A439 WeakPolarHBondContact O-CB 3.23Å; T435-A439 PolarHBondContact O-N 3.06Å
436	I	81	Confident	79.4	Confident	12 Å²	12	25.4 Å²	25.4	6%	0.062	13%	0.129	C	C	.	.	H	α-helix	trans	-66.7	-49.1	175.2	-67	172.5	0	0	0	110.8	N170 L432 V434 L438 A439 Y440 L895 T899	N170-I436 VanDerWaalsContact ND2-CD1 3.29Å; N170-I436 WeakPolarHBondContact ND2-CD1 3.47Å; N170-I436 WeakPolarHBondContact OD1-CD1 3.34Å; L432-I436 HydrophobicContact CD1-CD1 3.84Å; L432-I436 HydrophobicContact CD1-CG1 4.05Å; L432-I436 HydrophobicContact CD2-CD1 4.24Å; L432-I436 HydrophobicContact CG-CD1 3.63Å; L432-I436 HydrophobicContact CG-CG1 4.25Å; L432-I436 WeakPolarHBondContact O-CG1 3.2Å; L432-I436 PolarHBondContact O-N 3.2Å; V434-I436 PolarHBondContact O-N 2.98Å; I436-L438 PolarHBondContact O-N 3.04Å; I436-A439 PolarHBondContact O-N 3.17Å; I436-Y440 VanDerWaalsContact O-CB 3.3Å; I436-Y440 WeakPolarHBondContact O-CB 3.35Å; I436-Y440 PolarHBondContact O-N 2.99Å; I436-L895 HydrophobicContact CG2-CD1 4.05Å; I436-T899 HydrophobicContact CG2-CG2 4.5Å
437	S	84	Confident	79.8	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-52	-47.1	176.9	-174.1	0	0	0	0	110.8	A433 V434 S441 A898	A433-S437 VanDerWaalsContact O-CB 3.23Å; A433-S437 WeakPolarHBondContact O-CB 3.2Å; A433-S437 PolarHBondContact O-N 3.25Å; V434-S437 PolarHBondContact O-N 3.2Å; S437-S441 VanDerWaalsContact O-CB 3.22Å; S437-S441 WeakPolarHBondContact O-CB 2.97Å; S437-S441 PolarHBondContact O-N 3.33Å; S437-S441 PolarHBondContact O-OG 2.86Å; S437-A898 PolarHBondContact OG-O 2.68Å
438	L	82.4	Confident	80.6	Confident	12 Å²	12	34 Å²	34	6%	0.063	17%	0.165	C	C	.	.	H	α-helix	trans	-76.2	-42.5	-173.8	-162.9	141.7	0	0	0	112.1	V434 I436 Y440 S441 V442 L455 C458	V434-L438 WeakPolarHBondContact O-CB 3.48Å; V434-L438 PolarHBondContact O-N 3.07Å; I436-L438 PolarHBondContact O-N 3.04Å; L438-Y440 VanDerWaalsContact C-N 3.33Å; L438-Y440 PolarHBondContact O-N 2.93Å; L438-S441 PolarHBondContact O-N 2.79Å; L438-V442 HydrophobicContact CD2-CG2 3.99Å; L438-V442 WeakPolarHBondContact O-CB 3.01Å; L438-V442 VanDerWaalsContact O-CG2 3.24Å; L438-V442 WeakPolarHBondContact O-CG2 3.5Å; L438-V442 PolarHBondContact O-N 2.88Å; L438-L455 WeakPolarHBondContact CD1-O 3.44Å; L438-L455 HydrophobicContact CD2-CB 3.42Å; L438-L455 VanDerWaalsContact CD2-CB 3.42Å; L438-L455 HydrophobicContact CD2-CD1 4.21Å; L438-L455 HydrophobicContact CD2-CD2 3.58Å; L438-L455 HydrophobicContact CD2-CG 3.88Å; L438-C458 HydrophobicContact CD1-CB 4.45Å; L438-C458 HydrophobicContact CG-CB 4.41Å
439	A	80.6	Confident	81.4	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-60.6	-43.2	174.3	0	0	0	0	0	111.9	F178 T435 I436 K443	F178-A439 HydrophobicContact CE1-CB 4.37Å; F178-A439 HydrophobicContact CE2-CB 4.48Å; F178-A439 HydrophobicContact CZ-CB 4.03Å; T435-A439 WeakPolarHBondContact O-CB 3.23Å; T435-A439 PolarHBondContact O-N 3.06Å; I436-A439 PolarHBondContact O-N 3.17Å; A439-K443 WeakPolarHBondContact O-CB 3.44Å; A439-K443 PolarHBondContact O-N 3.23Å; A439-K443 VanDerWaalsContact O-N 3.12Å
440	Y	83.3	Confident	82.5	Confident	38 Å²	38	34.2 Å²	34.2	15%	0.149	17%	0.168	C	C	.	.	H	α-helix	trans	-63.4	-47.1	174.7	177.9	-99.7	0	0	0	111.7	I436 L438 K443 K444 T899 I1003	I436-Y440 VanDerWaalsContact O-CB 3.3Å; I436-Y440 WeakPolarHBondContact O-CB 3.35Å; I436-Y440 PolarHBondContact O-N 2.99Å; L438-Y440 VanDerWaalsContact C-N 3.33Å; L438-Y440 PolarHBondContact O-N 2.93Å; Y440-K443 PolarHBondContact O-N 3.27Å; Y440-K444 HydrophobicContact CD1-CG 4.44Å; Y440-K444 HydrophobicContact CE1-CG 4.09Å; Y440-K444 HydrophobicContact CE2-CG 4.39Å; Y440-K444 VanDerWaalsContact CZ-CE 3.42Å; Y440-K444 WeakPolarHBondContact O-CG 3.37Å; Y440-K444 PolarHBondContact O-N 3.47Å; Y440-K444 VanDerWaalsContact O-N 3.1Å; Y440-K444 VanDerWaalsContact OH-CE 3.23Å; Y440-K444 WeakPolarHBondContact OH-CE 3.47Å; Y440-T899 HydrophobicContact CD1-CG2 4.18Å; Y440-T899 HydrophobicContact CD2-CG2 4.11Å; Y440-T899 WeakPolarHBondContact CE1-O 3.46Å; Y440-T899 HydrophobicContact CG-CG2 3.93Å; Y440-T899 PolarHBondContact OH-O 3.43Å; Y440-I1003 HydrophobicContact CE2-CD1 4.37Å
441	S	87	Confident	83.2	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-45.4	179.8	-63.8	0	0	0	0	111.7	S437 L438 K443 K444 M445 V843	S437-S441 VanDerWaalsContact O-CB 3.22Å; S437-S441 WeakPolarHBondContact O-CB 2.97Å; S437-S441 PolarHBondContact O-N 3.33Å; S437-S441 PolarHBondContact O-OG 2.86Å; L438-S441 PolarHBondContact O-N 2.79Å; S441-K443 VanDerWaalsContact C-N 3.34Å; S441-K443 PolarHBondContact O-N 3.27Å; S441-K444 CarbonylContact O-C 3.27Å; S441-K444 PolarHBondContact O-N 3.32Å; S441-K444 VanDerWaalsContact O-N 3.08Å; S441-M445 WeakPolarHBondContact O-CB 3.46Å; S441-M445 WeakPolarHBondContact O-CG 3.46Å; S441-M445 PolarHBondContact O-N 2.86Å; S441-V843 WeakPolarHBondContact OG-CG2 3.49Å
442	V	83.9	Confident	84.2	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-60.3	-43.3	177	169.5	0	0	0	0	111.5	L181 L438 K444 M445 M446 V452 L455 C458	L181-V442 HydrophobicContact CD1-CB 4.32Å; L181-V442 HydrophobicContact CD1-CG1 3.56Å; L181-V442 HydrophobicContact CD2-CG1 4.04Å; L181-V442 HydrophobicContact CG-CG1 4.42Å; L438-V442 HydrophobicContact CD2-CG2 3.99Å; L438-V442 WeakPolarHBondContact O-CB 3.01Å; L438-V442 VanDerWaalsContact O-CG2 3.24Å; L438-V442 WeakPolarHBondContact O-CG2 3.5Å; L438-V442 PolarHBondContact O-N 2.88Å; V442-K444 VanDerWaalsContact C-N 3.25Å; V442-K444 PolarHBondContact O-N 3.45Å; V442-M445 PolarHBondContact O-N 2.92Å; V442-M446 PolarHBondContact O-N 2.98Å; V442-V452 HydrophobicContact CG1-CB 3.93Å; V442-V452 HydrophobicContact CG1-CG2 4.36Å; V442-V452 HydrophobicContact CG2-CB 4.02Å; V442-V452 HydrophobicContact CG2-CG1 4.1Å; V442-V452 HydrophobicContact CG2-CG2 4.17Å; V442-L455 HydrophobicContact CG2-CD2 3.9Å; V442-C458 HydrophobicContact CG2-CB 4.41Å
443	K	84.1	Confident	84.7	Confident	113 Å²	113	33.8 Å²	33.8	49%	0.491	16%	0.157	S	C	.	.	H	α-helix	trans	-60.3	-36.5	175.8	-176.9	177.9	-179.6	178.6	0	112.2	A439 Y440 S441	A439-K443 WeakPolarHBondContact O-CB 3.44Å; A439-K443 PolarHBondContact O-N 3.23Å; A439-K443 VanDerWaalsContact O-N 3.12Å; Y440-K443 PolarHBondContact O-N 3.27Å; S441-K443 VanDerWaalsContact C-N 3.34Å; S441-K443 PolarHBondContact O-N 3.27Å
444	K	88.1	Confident	84.7	Confident	77 Å²	77	36.6 Å²	36.6	34%	0.335	17%	0.17	S	C	.	.	H	α-helix	trans	-78.3	-39.6	177.5	-66.4	-70.6	-173.1	169.5	0	112.3	Y440 S441 V442 M446 K447 D448 W839	Y440-K444 HydrophobicContact CD1-CG 4.44Å; Y440-K444 HydrophobicContact CE1-CG 4.09Å; Y440-K444 HydrophobicContact CE2-CG 4.39Å; Y440-K444 VanDerWaalsContact CZ-CE 3.42Å; Y440-K444 WeakPolarHBondContact O-CG 3.37Å; Y440-K444 PolarHBondContact O-N 3.47Å; Y440-K444 VanDerWaalsContact O-N 3.1Å; Y440-K444 VanDerWaalsContact OH-CE 3.23Å; Y440-K444 WeakPolarHBondContact OH-CE 3.47Å; S441-K444 CarbonylContact O-C 3.27Å; S441-K444 PolarHBondContact O-N 3.32Å; S441-K444 VanDerWaalsContact O-N 3.08Å; V442-K444 VanDerWaalsContact C-N 3.25Å; V442-K444 PolarHBondContact O-N 3.45Å; K444-M446 PolarHBondContact O-N 2.79Å; K444-K447 WeakPolarHBondContact O-CA 3.37Å; K444-K447 VanDerWaalsContact O-CB 3.3Å; K444-K447 WeakPolarHBondContact O-CB 3.23Å; K444-K447 PolarHBondContact O-N 3.22Å; K444-D448 PolarHBondContact O-N 2.8Å; K444-D448 VanDerWaalsContact O-N 3.08Å; K444-W839 HydrophobicContact CB-CH2 3.31Å; K444-W839 HydrophobicContact CB-CZ2 3.34Å; K444-W839 HydrophobicContact CB-CZ3 4.03Å; K444-W839 HydrophobicContact CG-CH2 3.71Å; K444-W839 HydrophobicContact CG-CZ2 4.16Å; K444-W839 HydrophobicContact CG-CZ3 4.44Å
445	M	87.8	Confident	84.6	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-56.8	-39.7	172.6	-78.4	-175.4	68.4	0	0	111.7	S441 V442 K447 D448 N449 N450 V452 C458 I823 A836 W839	S441-M445 WeakPolarHBondContact O-CB 3.46Å; S441-M445 WeakPolarHBondContact O-CG 3.46Å; S441-M445 PolarHBondContact O-N 2.86Å; V442-M445 PolarHBondContact O-N 2.92Å; M445-K447 VanDerWaalsContact C-N 3.27Å; M445-K447 PolarHBondContact O-N 3.05Å; M445-D448 CarbonylContact O-C 3.59Å; M445-D448 VanDerWaalsContact O-CA 3.27Å; M445-D448 WeakPolarHBondContact O-CA 3.29Å; M445-D448 WeakPolarHBondContact O-CB 3.34Å; M445-D448 PolarHBondContact O-N 2.74Å; M445-N449 PolarHBondContact O-N 2.88Å; M445-N450 CarbonylContact C-O 3.52Å; M445-N450 HydrophobicContact CB-CB 4.07Å; M445-N450 HydrophobicContact CE-CB 3.84Å; M445-N450 WeakPolarHBondContact O-CB 3.39Å; M445-N450 PolarHBondContact O-N 3.17Å; M445-V452 HydrophobicContact CB-CG2 4.36Å; M445-V452 HydrophobicContact CE-CG2 3.71Å; M445-V452 HydrophobicContact SD-CG2 4Å; M445-C458 HydrophobicContact SD-CB 4.43Å; M445-C458 PolarHBondContact SD-SG 2.87Å; M445-I823 HydrophobicContact CE-CD1 4.39Å; M445-A836 HydrophobicContact CE-CB 3.67Å; M445-W839 HydrophobicContact CG-CB 3.66Å; M445-W839 VanDerWaalsContact CG-CD1 3.5Å; M445-W839 HydrophobicContact CG-CD2 3.93Å; M445-W839 HydrophobicContact CG-CG 3.4Å; M445-W839 VanDerWaalsContact CG-CG 3.4Å; M445-W839 HydrophobicContact SD-CB 3.6Å; M445-W839 VanDerWaalsContact SD-CB 3.6Å; M445-W839 HydrophobicContact SD-CG 4.06Å
446	M	85.1	Confident	84.9	Confident	44 Å²	44	39.7 Å²	39.7	22%	0.217	18%	0.184	C	C	.	.	H	α-helix	trans	-60.4	-36.8	174	-173	-171.7	70.4	0	0	112.1	L181 V442 K444 D448 N449 N450 L451	L181-M446 HydrophobicContact CD2-SD 3.93Å; V442-M446 PolarHBondContact O-N 2.98Å; K444-M446 PolarHBondContact O-N 2.79Å; M446-D448 VanDerWaalsContact C-N 3.25Å; M446-D448 PolarHBondContact O-N 3.01Å; M446-N449 PolarHBondContact O-N 3.43Å; M446-N450 VanDerWaalsContact CA-O 3.27Å; M446-N450 WeakPolarHBondContact CA-O 3.24Å; M446-N450 PolarHBondContact N-O 2.95Å; M446-N450 VanDerWaalsContact N-O 3.13Å; M446-L451 HydrophobicContact CG-CD1 4.22Å; M446-L451 HydrophobicContact SD-CD1 4.43Å
447	K	87.6	Confident	85.2	Confident	171 Å²	171	39.2 Å²	39.2	74%	0.743	18%	0.182	S	C	*	.	H	α-helix	trans	-69	-27.6	173.3	-169.5	-177.1	176.4	-175.3	0	111.9	K444 M445 N449	K444-K447 WeakPolarHBondContact O-CA 3.37Å; K444-K447 VanDerWaalsContact O-CB 3.3Å; K444-K447 WeakPolarHBondContact O-CB 3.23Å; K444-K447 PolarHBondContact O-N 3.22Å; M445-K447 VanDerWaalsContact C-N 3.27Å; M445-K447 PolarHBondContact O-N 3.05Å; K447-N449 VanDerWaalsContact C-N 3.25Å; K447-N449 PolarHBondContact O-N 2.7Å
448	D	90	Very high	85.3	Confident	48 Å²	48	39.2 Å²	39.2	26%	0.257	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	27.6	172.9	-76.1	-36.3	0	0	0	112.8	K444 M445 M446 N450 K835 W839	K444-D448 PolarHBondContact O-N 2.8Å; K444-D448 VanDerWaalsContact O-N 3.08Å; M445-D448 CarbonylContact O-C 3.59Å; M445-D448 VanDerWaalsContact O-CA 3.27Å; M445-D448 WeakPolarHBondContact O-CA 3.29Å; M445-D448 WeakPolarHBondContact O-CB 3.34Å; M445-D448 PolarHBondContact O-N 2.74Å; M446-D448 VanDerWaalsContact C-N 3.25Å; M446-D448 PolarHBondContact O-N 3.01Å; D448-N450 PolarHBondContact O-N 3.48Å; D448-N450 PolarHBondContact O-ND2 3.37Å; D448-K835 HydrophobicContact CB-CD 3.92Å; D448-K835 IonicContact OD1-NZ 3.68Å; D448-W839 PolarHBondContact OD2-NE1 3.33Å
449	N	90.1	Very high	85.6	Confident	59 Å²	59	38.9 Å²	38.9	32%	0.316	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	19.9	177	-54.5	-35.8	0	0	0	115.8	M445 M446 K447 T826 D827	M445-N449 PolarHBondContact O-N 2.88Å; M446-N449 PolarHBondContact O-N 3.43Å; K447-N449 VanDerWaalsContact C-N 3.25Å; K447-N449 PolarHBondContact O-N 2.7Å; N449-T826 VanDerWaalsContact CA-OG1 3.27Å; N449-T826 WeakPolarHBondContact CA-OG1 3.47Å; N449-T826 WeakPolarHBondContact CB-OG1 3.29Å; N449-T826 PolarHBondContact O-N 3.14Å; N449-T826 PolarHBondContact O-OG1 2.88Å; N449-D827 HydrophobicContact CB-CB 4.01Å; N449-D827 VanDerWaalsContact CB-CG 3.44Å; N449-D827 WeakPolarHBondContact CB-OD2 3.45Å; N449-D827 PolarHBondContact ND2-OD2 3.38Å
450	N	90.9	Very high	86	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	102.9	174.1	-73	-83.1	0	0	0	109.9	M445 M446 D448 V452 I823 L825 S832	M445-N450 CarbonylContact C-O 3.52Å; M445-N450 HydrophobicContact CB-CB 4.07Å; M445-N450 HydrophobicContact CE-CB 3.84Å; M445-N450 WeakPolarHBondContact O-CB 3.39Å; M445-N450 PolarHBondContact O-N 3.17Å; M446-N450 VanDerWaalsContact CA-O 3.27Å; M446-N450 WeakPolarHBondContact CA-O 3.24Å; M446-N450 PolarHBondContact N-O 2.95Å; M446-N450 VanDerWaalsContact N-O 3.13Å; D448-N450 PolarHBondContact O-N 3.48Å; D448-N450 PolarHBondContact O-ND2 3.37Å; N450-V452 PolarHBondContact O-N 3.42Å; N450-I823 HydrophobicContact CB-CG2 4.24Å; N450-L825 WeakPolarHBondContact OD1-CD2 3.48Å; N450-S832 PolarHBondContact ND2-O 3.42Å; N450-S832 PolarHBondContact OD1-O 3.29Å
451	L	89.2	Confident	86.4	Confident	5 Å²	5	37.9 Å²	37.9	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	102.9	176.2	-177.3	68.6	0	0	0	109.9	I185 E188 M446 I823 I824 T826	I185-L451 HydrophobicContact CD1-CD1 4.48Å; I185-L451 HydrophobicContact CG1-CD1 3.77Å; I185-L451 HydrophobicContact CG1-CD2 4.03Å; I185-L451 HydrophobicContact CG1-CG 4.08Å; E188-L451 WeakPolarHBondContact OE2-CD2 3.45Å; M446-L451 HydrophobicContact CG-CD1 4.22Å; M446-L451 HydrophobicContact SD-CD1 4.43Å; L451-I823 WeakPolarHBondContact O-CA 3.43Å; L451-I824 HydrophobicContact CB-CB 4.22Å; L451-I824 HydrophobicContact CD2-CB 4.43Å; L451-I824 HydrophobicContact CD2-CD1 4.44Å; L451-I824 PolarHBondContact N-O 3.07Å; L451-I824 PolarHBondContact O-N 3.5Å; L451-T826 HydrophobicContact CB-CG2 4.02Å
452	V	87.7	Confident	86.6	Confident	7 Å²	7	38 Å²	38	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	118.7	-179.6	-175.1	0	0	0	0	109.9	V442 M445 N450 H454 I823	V442-V452 HydrophobicContact CG1-CB 3.93Å; V442-V452 HydrophobicContact CG1-CG2 4.36Å; V442-V452 HydrophobicContact CG2-CB 4.02Å; V442-V452 HydrophobicContact CG2-CG1 4.1Å; V442-V452 HydrophobicContact CG2-CG2 4.17Å; M445-V452 HydrophobicContact CB-CG2 4.36Å; M445-V452 HydrophobicContact CE-CG2 3.71Å; M445-V452 HydrophobicContact SD-CG2 4Å; N450-V452 PolarHBondContact O-N 3.42Å; V452-H454 WeakPolarHBondContact CG1-O 3.03Å; V452-I823 HydrophobicContact CG1-CG1 4.42Å; V452-I823 HydrophobicContact CG2-CD1 4.49Å; V452-I823 HydrophobicContact CG2-CG1 4.34Å
453	R	82.8	Confident	86.9	Confident	72 Å²	72	38.5 Å²	38.5	27%	0.272	18%	0.182	S	C	.	.	S	Bend	trans	-88.4	-41.1	175.3	-61.1	177.7	71.3	-139.3	6.7	111.5	K818 E819 S821 D822 I824	R453-K818 PolarHBondContact NH1-O 3.39Å; R453-E819 VanDerWaalsContact NH1-CA 3.28Å; R453-E819 PolarHBondContact NH1-O 3.49Å; R453-S821 PolarHBondContact NH1-O 3.4Å; R453-D822 WeakPolarHBondContact CB-O 3.44Å; R453-D822 PolarHBondContact N-O 2.98Å; R453-I824 HydrophobicContact CG-CD1 4.28Å; R453-I824 HydrophobicContact CG-CG1 4.43Å
454	H	78.8	Confident	87.3	Confident	58 Å²	58	33.2 Å²	33.2	27%	0.269	16%	0.159	S	C	.	.	S	Bend	trans	-110.7	117.8	179.3	-68.6	-60.3	0	0	0	110.1	V452 D456 A457 D822	V452-H454 WeakPolarHBondContact CG1-O 3.03Å; H454-D456 WeakPolarHBondContact CB-OD1 3.2Å; H454-D456 PolarHBondContact O-N 3.14Å; H454-A457 HydrophobicContact CB-CB 4.41Å; H454-A457 VanDerWaalsContact O-CB 3.28Å; H454-A457 WeakPolarHBondContact O-CB 3.21Å; H454-A457 PolarHBondContact O-N 3.23Å; H454-D822 HydrophobicContact CB-CB 4.13Å; H454-D822 IonicContact CD2-OD1 2.78Å; H454-D822 PolarHBondContact CD2-OD1 2.87Å; H454-D822 IonicContact CG-OD1 2.82Å; H454-D822 PolarHBondContact N-O 2.87Å
455	L	77.1	Confident	87.5	Confident	58 Å²	58	30.4 Å²	30.4	30%	0.304	15%	0.148	S	C	.	.	H	α-helix	trans	-63	-44.6	-169.1	-72.5	-177.8	0	0	0	112.9	F178 L438 V442 A457 C458	F178-L455 HydrophobicContact CD1-CD1 4.06Å; F178-L455 HydrophobicContact CD1-CD2 4.4Å; F178-L455 HydrophobicContact CE1-CD1 3.19Å; F178-L455 HydrophobicContact CE1-CD2 3.68Å; F178-L455 HydrophobicContact CE1-CG 4.05Å; F178-L455 HydrophobicContact CZ-CD1 3.62Å; L438-L455 WeakPolarHBondContact CD1-O 3.44Å; L438-L455 HydrophobicContact CD2-CB 3.42Å; L438-L455 VanDerWaalsContact CD2-CB 3.42Å; L438-L455 HydrophobicContact CD2-CD1 4.21Å; L438-L455 HydrophobicContact CD2-CD2 3.58Å; L438-L455 HydrophobicContact CD2-CG 3.88Å; V442-L455 HydrophobicContact CG2-CD2 3.9Å; L455-A457 PolarHBondContact O-N 3.34Å; L455-C458 WeakPolarHBondContact O-CB 3.47Å; L455-C458 PolarHBondContact O-N 2.63Å; L455-C458 VanDerWaalsContact O-N 3.1Å
456	D	81.3	Confident	87.9	Confident	57 Å²	57	30.4 Å²	30.4	31%	0.305	15%	0.148	S	C	.	.	H	α-helix	trans	-54.6	-33.6	174.4	53.9	-44.8	0	0	0	113.1	H454 C458 E459 T460	H454-D456 WeakPolarHBondContact CB-OD1 3.2Å; H454-D456 PolarHBondContact O-N 3.14Å; D456-C458 PolarHBondContact O-N 3.33Å; D456-E459 PolarHBondContact O-N 3.45Å; D456-T460 PolarHBondContact O-N 3.33Å; D456-T460 PolarHBondContact O-OG1 3.11Å
457	A	87.4	Confident	88.4	Confident	2 Å²	2	28.3 Å²	28.3	2%	0.017	14%	0.138	C	C	.	.	H	α-helix	trans	-61.9	-28.8	177.3	0	0	0	0	0	113.4	H454 L455 E459 T460 M461 V805 D822 I823	H454-A457 HydrophobicContact CB-CB 4.41Å; H454-A457 VanDerWaalsContact O-CB 3.28Å; H454-A457 WeakPolarHBondContact O-CB 3.21Å; H454-A457 PolarHBondContact O-N 3.23Å; L455-A457 PolarHBondContact O-N 3.34Å; A457-E459 VanDerWaalsContact C-N 3.31Å; A457-E459 PolarHBondContact O-N 2.97Å; A457-T460 PolarHBondContact O-N 2.75Å; A457-M461 WeakPolarHBondContact O-CB 3.44Å; A457-M461 PolarHBondContact O-N 3.3Å; A457-V805 HydrophobicContact CB-CG1 4.28Å; A457-V805 HydrophobicContact CB-CG2 4.36Å; A457-D822 HydrophobicContact CB-CB 3.46Å; A457-D822 VanDerWaalsContact CB-CB 3.46Å; A457-I823 HydrophobicContact CB-CD1 4.46Å; A457-I823 HydrophobicContact CB-CG1 4.33Å
458	C	87.3	Confident	88.8	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.3	-43.3	174.3	-177.6	0	0	0	0	111.3	L438 V442 M445 L455 D456 G840	L438-C458 HydrophobicContact CD1-CB 4.45Å; L438-C458 HydrophobicContact CG-CB 4.41Å; V442-C458 HydrophobicContact CG2-CB 4.41Å; M445-C458 HydrophobicContact SD-CB 4.43Å; M445-C458 PolarHBondContact SD-SG 2.87Å; L455-C458 WeakPolarHBondContact O-CB 3.47Å; L455-C458 PolarHBondContact O-N 2.63Å; L455-C458 VanDerWaalsContact O-N 3.1Å; D456-C458 PolarHBondContact O-N 3.33Å; C458-G840 WeakPolarHBondContact O-CA 3.02Å
459	E	87.6	Confident	89	Confident	4 Å²	4	18.1 Å²	18.1	2%	0.019	9%	0.092	C	C	.	.	H	α-helix	trans	-74.1	-48.2	178.9	-177.3	-153.4	135.2	0	0	111	S355 L357 D456 A457 M461 G462	S355-E459 WeakPolarHBondContact CB-OE2 3.45Å; S355-E459 PolarHBondContact OG-OE2 3.32Å; L357-E459 HydrophobicContact CB-CG 4.34Å; L357-E459 WeakPolarHBondContact CB-OE1 3.49Å; L357-E459 WeakPolarHBondContact CB-OE2 3.24Å; L357-E459 HydrophobicContact CD2-CG 4.42Å; L357-E459 PolarHBondContact N-OE1 3.36Å; D456-E459 PolarHBondContact O-N 3.45Å; A457-E459 VanDerWaalsContact C-N 3.31Å; A457-E459 PolarHBondContact O-N 2.97Å; E459-M461 PolarHBondContact O-N 3.36Å; E459-G462 PolarHBondContact O-N 3.45Å
460	T	89.4	Confident	89	Confident	18 Å²	18	15.9 Å²	15.9	11%	0.11	8%	0.08	C	C	.	.	H	α-helix	trans	-56.2	-38.6	-177.1	-57.9	0	0	0	0	111.6	D456 A457 G462 N463 V786 D804 V805	D456-T460 PolarHBondContact O-N 3.33Å; D456-T460 PolarHBondContact O-OG1 3.11Å; A457-T460 PolarHBondContact O-N 2.75Å; T460-G462 PolarHBondContact O-N 3.43Å; T460-N463 PolarHBondContact O-N 2.99Å; T460-V786 HydrophobicContact CG2-CG1 3.84Å; T460-D804 HydrophobicContact CG2-CB 3.84Å; T460-V805 HydrophobicContact CG2-CG2 3.73Å
461	M	91.5	Very high	88.8	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-61.5	-26.5	177.8	-166.4	60.1	-167.4	0	0	113.6	A457 E459 N463 A464 I467 A788 V805 F807 I833 A836 V837	A457-M461 WeakPolarHBondContact O-CB 3.44Å; A457-M461 PolarHBondContact O-N 3.3Å; E459-M461 PolarHBondContact O-N 3.36Å; M461-N463 PolarHBondContact O-N 2.79Å; M461-A464 HydrophobicContact CE-CB 3.96Å; M461-A464 WeakPolarHBondContact O-CB 3.21Å; M461-A464 PolarHBondContact O-N 2.97Å; M461-A464 HydrophobicContact SD-CB 3.92Å; M461-I467 HydrophobicContact CE-CD1 4.26Å; M461-I467 HydrophobicContact CE-CG1 4.44Å; M461-A788 HydrophobicContact CE-CB 3.91Å; M461-A788 HydrophobicContact SD-CB 3.82Å; M461-V805 HydrophobicContact CB-CG2 4.3Å; M461-V805 HydrophobicContact SD-CB 4.3Å; M461-V805 HydrophobicContact SD-CG1 4.2Å; M461-V805 HydrophobicContact SD-CG2 4.4Å; M461-F807 HydrophobicContact CE-CE2 3.68Å; M461-F807 HydrophobicContact CE-CZ 3.87Å; M461-F807 HydrophobicContact CG-CE2 4.48Å; M461-F807 HydrophobicContact CG-CZ 4.08Å; M461-F807 HydrophobicContact SD-CE2 3.54Å; M461-F807 VanDerWaalsContact SD-CE2 3.54Å; M461-F807 HydrophobicContact SD-CZ 3.73Å; M461-I833 HydrophobicContact CE-CG2 3.67Å; M461-A836 HydrophobicContact CG-CB 4.25Å; M461-V837 HydrophobicContact CE-CG2 3.32Å; M461-V837 HydrophobicContact CG-CG2 4.02Å; M461-V837 HydrophobicContact SD-CG2 4.39Å
462	G	90.7	Very high	88.3	Confident	2 Å²	2	18 Å²	18	2%	0.021	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-62	-25.9	174.8	0	0	0	0	0	113.4	E459 T460 R841	E459-G462 PolarHBondContact O-N 3.45Å; T460-G462 PolarHBondContact O-N 3.43Å; G462-R841 VanDerWaalsContact O-CG 3.27Å; G462-R841 WeakPolarHBondContact O-CG 3.44Å; G462-R841 PolarHBondContact O-NE 2.95Å
463	N	90.8	Very high	87.6	Confident	14 Å²	14	17.6 Å²	17.6	8%	0.075	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-100.2	4.8	-179.6	-67.8	-50.1	0	0	0	113.9	T460 M461 T465 V786	T460-N463 PolarHBondContact O-N 2.99Å; M461-N463 PolarHBondContact O-N 2.79Å; N463-T465 PolarHBondContact O-N 3.16Å; N463-V786 HydrophobicContact CB-CG2 4.13Å; N463-V786 WeakPolarHBondContact O-CB 3.37Å
464	A	92.3	Very high	87.5	Confident	1 Å²	1	14.2 Å²	14.2	1%	0.008	8%	0.077	C	C	.	.			trans	-52.5	131.2	179.7	0	0	0	0	0	111.9	M461 I697	M461-A464 HydrophobicContact CE-CB 3.96Å; M461-A464 WeakPolarHBondContact O-CB 3.21Å; M461-A464 PolarHBondContact O-N 2.97Å; M461-A464 HydrophobicContact SD-CB 3.92Å; A464-I697 HydrophobicContact CB-CD1 4.48Å; A464-I697 WeakPolarHBondContact O-CG1 3.49Å
465	T	93.3	Very high	87.9	Confident	19 Å²	19	11.5 Å²	11.5	12%	0.117	6%	0.064	C	C	.	.			trans	-113.8	-25.8	176.5	60.7	0	0	0	0	112	N463 I697 T698 Q785 V786 P911	N463-T465 PolarHBondContact O-N 3.16Å; T465-I697 WeakPolarHBondContact O-CA 3.19Å; T465-T698 PolarHBondContact O-N 3.05Å; T465-Q785 PolarHBondContact OG1-OE1 2.89Å; T465-V786 PolarHBondContact N-O 3.02Å; T465-V786 PolarHBondContact OG1-N 3.43Å; T465-V786 VanDerWaalsContact OG1-N 3.08Å; T465-V786 PolarHBondContact OG1-O 2.54Å; T465-P911 HydrophobicContact CG2-CG 3.82Å
466	A	94.3	Very high	88.3	Confident	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	140.4	178.8	0	0	0	0	0	110.8	T698 V786 V787 A788	A466-T698 WeakPolarHBondContact CA-O 3.42Å; A466-V786 PolarHBondContact N-O 3.24Å; A466-V787 HydrophobicContact CB-CG2 4.48Å; A466-A788 PolarHBondContact O-N 3.07Å
467	I	96.6	Very high	88.2	Confident	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	113.1	169	-63.5	168.2	0	0	0	107.6	M461 I697 T698 V699 R700 A788 T790 F830 I833	M461-I467 HydrophobicContact CE-CD1 4.26Å; M461-I467 HydrophobicContact CE-CG1 4.44Å; I467-I697 HydrophobicContact CD1-CG2 3.7Å; I467-I697 HydrophobicContact CG1-CG2 3.69Å; I467-T698 PolarHBondContact N-O 2.82Å; I467-V699 CarbonylContact O-C 3.54Å; I467-V699 WeakPolarHBondContact O-CA 3.43Å; I467-R700 PolarHBondContact O-N 3.29Å; I467-A788 CarbonylContact C-O 3.54Å; I467-A788 WeakPolarHBondContact CA-O 3.35Å; I467-A788 HydrophobicContact CG1-CB 4.17Å; I467-T790 HydrophobicContact CG2-CG2 4.26Å; I467-F830 HydrophobicContact CG2-CZ 4.44Å; I467-I833 HydrophobicContact CD1-CG2 4.02Å
468	C	95.9	Very high	87.7	Confident	4 Å²	4	10 Å²	10	3%	0.027	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	101.8	169.5	-68.8	0	0	0	0	108.1	R700 V702 V772 A788 V789 T790	C468-R700 CarbonylContact C-O 3.54Å; C468-R700 WeakPolarHBondContact CA-O 3.49Å; C468-V702 HydrophobicContact CB-CG2 4.29Å; C468-V772 HydrophobicContact CB-CG2 4.46Å; C468-A788 PolarHBondContact N-O 3.46Å; C468-V789 HydrophobicContact CB-CG2 4.16Å; C468-V789 VanDerWaalsContact O-CA 3.31Å; C468-V789 WeakPolarHBondContact O-CA 3.44Å; C468-T790 PolarHBondContact O-N 2.86Å
469	S	93.8	Very high	87.3	Confident	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	132.9	-175.3	-173.1	0	0	0	0	111.1	T474 R700 M701 V702 T790	S469-T474 WeakPolarHBondContact OG-CG2 3.13Å; S469-R700 PolarHBondContact N-O 2.97Å; S469-M701 WeakPolarHBondContact O-CA 3.38Å; S469-V702 PolarHBondContact O-N 2.82Å; S469-T790 VanDerWaalsContact CA-OG1 3.24Å; S469-T790 WeakPolarHBondContact CA-OG1 3.48Å; S469-T790 PolarHBondContact OG-OG1 3.24Å
470	D	89.6	Confident	87.1	Confident	12 Å²	12	13.5 Å²	13.5	6%	0.064	7%	0.07	C	C	.	.			trans	-65.2	157.4	159	-163.7	69.5	0	0	0	110.2	T472 T474 V702 K768 T790	D470-T472 PolarHBondContact OD2-N 2.88Å; D470-T474 WeakPolarHBondContact O-CB 3.43Å; D470-V702 WeakPolarHBondContact CA-O 3.25Å; D470-K768 IonicContact OD1-NZ 2.65Å; D470-K768 PolarHBondContact OD1-NZ 2.94Å; D470-T790 PolarHBondContact N-O 3.16Å; D470-T790 PolarHBondContact N-OG1 3.18Å
471	K	86.9	Confident	87.1	Confident	12 Å²	12	14.1 Å²	14.1	5%	0.052	7%	0.074	C	C	.	.	I	π-helix	trans	-88.7	-51.7	179.8	-178.9	-126.6	60.8	172.9	0	111.1	L475 T476 M701 T703 D705 I713	K471-L475 PolarHBondContact O-N 3.19Å; K471-L475 VanDerWaalsContact O-N 3.13Å; K471-T476 HydrophobicContact CD-CG2 4.42Å; K471-T476 HydrophobicContact CG-CG2 4.22Å; K471-T476 PolarHBondContact O-N 3.04Å; K471-T476 PolarHBondContact O-OG1 2.69Å; K471-T476 VanDerWaalsContact O-OG1 3.1Å; K471-M701 HydrophobicContact CB-CE 4.49Å; K471-M701 HydrophobicContact CB-CG 4.08Å; K471-M701 HydrophobicContact CB-SD 3.98Å; K471-M701 HydrophobicContact CG-CE 4.16Å; K471-M701 HydrophobicContact CG-SD 3.97Å; K471-T703 HydrophobicContact CB-CG2 4.39Å; K471-D705 WeakPolarHBondContact CD-OD2 3.4Å; K471-D705 WeakPolarHBondContact CE-OD2 3.32Å; K471-D705 IonicContact NZ-OD1 3.2Å; K471-D705 IonicContact NZ-OD2 3.63Å; K471-D705 PolarHBondContact NZ-OD2 2.81Å; K471-I713 HydrophobicContact CD-CG1 4.4Å; K471-I713 HydrophobicContact CG-CG2 4.04Å
472	T	79	Confident	87.2	Confident	37 Å²	37	14.3 Å²	14.3	23%	0.227	8%	0.075	C	C	.	.	I	π-helix	trans	-76.8	140	-173.2	-49.4	0	0	0	0	108.8	D470 T474 N478	D470-T472 PolarHBondContact OD2-N 2.88Å; T472-T474 PolarHBondContact O-N 3.33Å; T472-N478 WeakPolarHBondContact CG2-OD1 3.36Å
473	G	72.9	Confident	87.3	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.085	C	C	.	.	I	π-helix	trans	78.5	-38.5	-180	0	0	0	0	0	114.1	R682	G473-R682 PolarHBondContact O-NH2 3.36Å
474	T	80.4	Confident	87.4	Confident	1 Å²	1	15.9 Å²	15.9	1%	0.006	8%	0.084	C	C	.	.	I	π-helix	trans	-93	-68.3	-175.8	-52.4	0	0	0	0	112.5	S469 D470 T472 R682 T790 M809 F830	S469-T474 WeakPolarHBondContact OG-CG2 3.13Å; D470-T474 WeakPolarHBondContact O-CB 3.43Å; T472-T474 PolarHBondContact O-N 3.33Å; T474-R682 WeakPolarHBondContact O-CD 3.5Å; T474-R682 PolarHBondContact O-NE 3.16Å; T474-T790 HydrophobicContact CG2-CG2 4.38Å; T474-T790 WeakPolarHBondContact CG2-OG1 3.45Å; T474-M809 HydrophobicContact CG2-CE 3.76Å; T474-M809 HydrophobicContact CG2-SD 4.47Å; T474-M809 WeakPolarHBondContact OG1-CE 3.33Å; T474-F830 HydrophobicContact CG2-CD2 4.08Å
475	L	87.7	Confident	87.6	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.084	C	C	.	.	I	π-helix	trans	-81.3	-29.8	-176.1	-62.9	176	0	0	0	111.8	K471 R682 V685 I689 M701 I719 F830	K471-L475 PolarHBondContact O-N 3.19Å; K471-L475 VanDerWaalsContact O-N 3.13Å; L475-R682 PolarHBondContact O-N 2.98Å; L475-R682 VanDerWaalsContact O-N 3.09Å; L475-V685 HydrophobicContact CD2-CG1 3.8Å; L475-I689 HydrophobicContact CD2-CD1 4.17Å; L475-M701 HydrophobicContact CD1-CE 3.74Å; L475-M701 HydrophobicContact CD1-CG 4.41Å; L475-I719 HydrophobicContact CD1-CD1 4.05Å; L475-F830 HydrophobicContact CD2-CD2 3.73Å; L475-F830 HydrophobicContact CD2-CE2 3.86Å; L475-F830 HydrophobicContact CD2-CG 4.4Å
476	T	85.9	Confident	87.6	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-103.4	163.4	178.7	62	0	0	0	0	111.4	K471 N478 D679 P680 R682 I713	K471-T476 HydrophobicContact CD-CG2 4.42Å; K471-T476 HydrophobicContact CG-CG2 4.22Å; K471-T476 PolarHBondContact O-N 3.04Å; K471-T476 PolarHBondContact O-OG1 2.69Å; K471-T476 VanDerWaalsContact O-OG1 3.1Å; T476-N478 PolarHBondContact O-N 3Å; T476-D679 WeakPolarHBondContact CB-OD2 3.22Å; T476-D679 HydrophobicContact CG2-CB 4.46Å; T476-D679 VanDerWaalsContact OG1-CG 3.23Å; T476-D679 PolarHBondContact OG1-OD2 3.06Å; T476-P680 CarbonylContact C-O 3.42Å; T476-P680 VanDerWaalsContact CA-O 3.25Å; T476-P680 WeakPolarHBondContact CA-O 3.12Å; T476-P680 WeakPolarHBondContact CB-O 3.47Å; T476-R682 PolarHBondContact O-NE 3.18Å; T476-R682 VanDerWaalsContact O-NE 3.1Å; T476-I713 HydrophobicContact CG2-CG2 4.31Å
477	M	80.1	Confident	87.6	Confident	51 Å²	51	16.8 Å²	16.8	25%	0.251	9%	0.085	S	C	.	.			trans	-70	-8.7	179.6	-65	-170.7	179.9	0	0	113.6	R479 L532 P680 R682 P683	M477-R479 HydrophobicContact CB-CB 4.02Å; M477-R479 PolarHBondContact O-N 3.1Å; M477-L532 HydrophobicContact SD-CD1 4.03Å; M477-P680 HydrophobicContact CB-CG 4.31Å; M477-P680 HydrophobicContact CG-CG 4.21Å; M477-P680 PolarHBondContact N-O 3.21Å; M477-P680 HydrophobicContact SD-CG 3.97Å; M477-R682 HydrophobicContact CG-CG 4.04Å; M477-P683 VanDerWaalsContact CE-CD 3.44Å; M477-P683 HydrophobicContact CE-CG 4.08Å
478	N	75.2	Confident	87.2	Confident	35 Å²	35	17.3 Å²	17.3	19%	0.187	9%	0.091	C	C	.	.	S	Bend	trans	54.6	32	-171.2	-156.8	3.4	0	0	0	112.3	T472 T476 K539 D679	T472-N478 WeakPolarHBondContact CG2-OD1 3.36Å; T476-N478 PolarHBondContact O-N 3Å; N478-K539 PolarHBondContact ND2-NZ 2.87Å; N478-K539 PolarHBondContact O-NZ 3.08Å; N478-K539 PolarHBondContact OD1-NZ 2.99Å; N478-D679 VanDerWaalsContact CA-OD1 3.29Å; N478-D679 WeakPolarHBondContact CA-OD1 3.42Å; N478-D679 WeakPolarHBondContact CA-OD2 3.36Å; N478-D679 PolarHBondContact N-OD1 3.22Å; N478-D679 PolarHBondContact N-OD2 2.93Å
479	R	79	Confident	86.9	Confident	51 Å²	51	19.9 Å²	19.9	19%	0.192	10%	0.104	C	C	.	.			trans	-133.2	101.5	-174	-175.6	-171.8	177.8	-160.7	-5.8	107.7	M477 T481 H535 D679 P680	M477-R479 HydrophobicContact CB-CB 4.02Å; M477-R479 PolarHBondContact O-N 3.1Å; R479-T481 PolarHBondContact O-N 3.32Å; R479-H535 WeakPolarHBondContact CG-CE1 3.41Å; R479-H535 PolarHBondContact NE-CE1 3.42Å; R479-H535 PolarHBondContact NE-NE2 2.98Å; R479-H535 PolarHBondContact NH2-NE2 3.4Å; R479-D679 PolarHBondContact N-OD1 3.4Å; R479-P680 WeakPolarHBondContact O-CD 3.15Å
480	M	84.5	Confident	86.7	Confident	26 Å²	26	22.8 Å²	22.8	13%	0.128	12%	0.123	C	C	.	.			trans	-64.3	131.2	177.8	-59.7	-61.8	-81.1	0	0	110.1	H535 K539 A543 I677 E678 D679	M480-H535 PolarHBondContact O-CE1 3.33Å; M480-K539 HydrophobicContact CB-CB 4.27Å; M480-K539 WeakPolarHBondContact CB-O 3.43Å; M480-K539 HydrophobicContact CG-CB 3.76Å; M480-A543 HydrophobicContact CB-CB 3.83Å; M480-A543 WeakPolarHBondContact O-CA 3.42Å; M480-A543 WeakPolarHBondContact O-CB 3.4Å; M480-I677 HydrophobicContact CB-CG2 3.78Å; M480-I677 HydrophobicContact CE-CB 4.49Å; M480-I677 HydrophobicContact CE-CG2 3.68Å; M480-E678 WeakPolarHBondContact CA-O 3.3Å; M480-D679 HydrophobicContact SD-CB 3.85Å
481	T	89.3	Confident	86.9	Confident	31 Å²	31	25 Å²	25	19%	0.19	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.4	178.8	51.3	0	0	0	0	110	R479 V483 I677 E678 P680	R479-T481 PolarHBondContact O-N 3.32Å; T481-V483 PolarHBondContact O-N 2.82Å; T481-I677 WeakPolarHBondContact O-CA 3.31Å; T481-I677 WeakPolarHBondContact O-CG2 3.48Å; T481-E678 PolarHBondContact N-O 3.43Å; T481-E678 PolarHBondContact O-N 3.22Å; T481-E678 PolarHBondContact OG1-O 3.12Å; T481-P680 HydrophobicContact CG2-CG 4.4Å
482	V	93.5	Very high	87.1	Confident	5 Å²	5	27 Å²	27	3%	0.03	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	123.4	169.6	176	0	0	0	0	107.9	Q484 V495 A543 L544 L547 V675 I677	V482-Q484 WeakPolarHBondContact CG1-O 3.46Å; V482-V495 HydrophobicContact CG1-CG2 4.46Å; V482-V495 VanDerWaalsContact O-CG2 3.26Å; V482-V495 WeakPolarHBondContact O-CG2 3.32Å; V482-A543 HydrophobicContact CG2-CB 4.49Å; V482-L544 HydrophobicContact CG2-CD2 4.34Å; V482-L547 HydrophobicContact CB-CB 4.11Å; V482-L547 HydrophobicContact CB-CD1 4.2Å; V482-L547 HydrophobicContact CB-CD2 4.46Å; V482-L547 HydrophobicContact CB-CG 4.49Å; V482-L547 HydrophobicContact CG1-CD1 3.98Å; V482-L547 HydrophobicContact CG1-CD2 4.15Å; V482-L547 HydrophobicContact CG1-CG 4.48Å; V482-L547 HydrophobicContact CG2-CB 3.93Å; V482-L547 HydrophobicContact CG2-CD2 4.21Å; V482-V675 HydrophobicContact CG1-CB 3.89Å; V482-V675 HydrophobicContact CG1-CG1 4.16Å; V482-V675 HydrophobicContact CG2-CB 4.31Å; V482-V675 HydrophobicContact CG2-CG2 4.35Å; V482-I677 HydrophobicContact CG2-CG1 3.92Å
483	V	91.6	Very high	87.6	Confident	39 Å²	39	33.6 Å²	33.6	24%	0.236	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	-32.9	-179.7	176.8	0	0	0	0	111.3	T481 T494 V495 G676 E678	T481-V483 PolarHBondContact O-N 2.82Å; V483-T494 CarbonylContact O-C 3.6Å; V483-T494 VanDerWaalsContact O-CA 3.31Å; V483-T494 WeakPolarHBondContact O-CA 3.3Å; V483-V495 PolarHBondContact O-N 2.68Å; V483-G676 PolarHBondContact N-O 2.75Å; V483-E678 HydrophobicContact CB-CG 4.03Å; V483-E678 HydrophobicContact CG2-CG 3.35Å
484	Q	94.3	Very high	88.4	Confident	10 Å²	10	38.6 Å²	38.6	5%	0.047	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	151.1	177.2	-57	-166.5	1.6	0	0	111.2	V482 H491 Y492 M635 E638 L640 V675 G676	V482-Q484 WeakPolarHBondContact CG1-O 3.46Å; Q484-H491 PolarHBondContact OE1-NE2 3.48Å; Q484-Y492 WeakPolarHBondContact CA-O 3.48Å; Q484-Y492 WeakPolarHBondContact CB-O 3.38Å; Q484-M635 HydrophobicContact CB-CE 3.82Å; Q484-E638 PolarHBondContact NE2-OE2 3.19Å; Q484-L640 HydrophobicContact CB-CD1 4.08Å; Q484-L640 VanDerWaalsContact CD-CD1 3.48Å; Q484-L640 HydrophobicContact CG-CD1 3.66Å; Q484-V675 CarbonylContact O-C 3.57Å; Q484-V675 WeakPolarHBondContact O-CA 3.4Å; Q484-G676 PolarHBondContact N-O 3.26Å; Q484-G676 PolarHBondContact O-N 2.9Å
485	A	95	Very high	88.8	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	141.9	176.2	0	0	0	0	0	111	I487 Y492 V674 V675	A485-I487 HydrophobicContact CB-CD1 3.9Å; A485-I487 HydrophobicContact CB-CG1 4.05Å; A485-Y492 PolarHBondContact N-O 3.38Å; A485-Y492 WeakPolarHBondContact O-CA 3.37Å; A485-Y492 WeakPolarHBondContact O-CB 3.44Å; A485-Y492 PolarHBondContact O-N 2.95Å; A485-V674 CarbonylContact C-O 3.36Å; A485-V674 WeakPolarHBondContact CA-O 3.21Å; A485-V675 HydrophobicContact CB-CG1 4.16Å
486	Y	94.9	Very high	88.9	Confident	34 Å²	34	41.2 Å²	41.2	13%	0.133	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	112	166.7	-174.5	-82.1	0	0	0	108.1	D489 T490 H491 I609 M627 V631 A673 V674	Y486-D489 WeakPolarHBondContact OH-CA 3.38Å; Y486-D489 PolarHBondContact OH-OD1 3.32Å; Y486-T490 WeakPolarHBondContact CA-O 3.44Å; Y486-H491 HydrophobicContact CD2-CB 3.92Å; Y486-I609 HydrophobicContact CE1-CD1 4.14Å; Y486-M627 HydrophobicContact CD1-CE 3.74Å; Y486-M627 HydrophobicContact CE1-CE 3.25Å; Y486-M627 HydrophobicContact CE2-CE 4.41Å; Y486-V631 HydrophobicContact CD2-CB 4.48Å; Y486-V631 HydrophobicContact CD2-CG1 3.96Å; Y486-V631 HydrophobicContact CD2-CG2 3.78Å; Y486-V631 HydrophobicContact CE2-CG2 3.94Å; Y486-V631 HydrophobicContact CG-CG1 4.32Å; Y486-A673 VanDerWaalsContact O-CA 3.27Å; Y486-A673 WeakPolarHBondContact O-CA 3.35Å; Y486-V674 PolarHBondContact N-O 3.32Å; Y486-V674 PolarHBondContact O-N 3.44Å; Y486-V674 VanDerWaalsContact O-N 3.12Å
487	I	93.4	Very high	89.1	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	133.7	-175.1	-53.2	174.1	0	0	0	107.9	A485 D489 T490 Y492 I501 T505 L509 A673	A485-I487 HydrophobicContact CB-CD1 3.9Å; A485-I487 HydrophobicContact CB-CG1 4.05Å; I487-D489 PolarHBondContact O-N 2.83Å; I487-T490 PolarHBondContact N-O 3.32Å; I487-T490 PolarHBondContact O-N 3.46Å; I487-T490 VanDerWaalsContact O-N 3.13Å; I487-Y492 HydrophobicContact CB-CE2 4.43Å; I487-I501 HydrophobicContact CD1-CD1 3.83Å; I487-I501 HydrophobicContact CG2-CG2 3.98Å; I487-T505 HydrophobicContact CG2-CG2 4Å; I487-L509 HydrophobicContact CD1-CD2 3.93Å; I487-A673 HydrophobicContact CG1-CB 3.88Å
488	G	89.1	Confident	89.5	Confident	12 Å²	12	44.9 Å²	44.9	12%	0.124	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	47.6	174.2	0	0	0	0	0	113.6	T490	G488-T490 PolarHBondContact O-N 2.75Å; G488-T490 VanDerWaalsContact O-N 3.17Å; G488-T490 PolarHBondContact O-OG1 3.4Å
489	D	87.9	Confident	90.1	Very high	57 Å²	57	50.7 Å²	50.7	31%	0.305	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	15.6	-177.4	-68.5	-37.3	0	0	0	116.9	Y486 I487 R617	Y486-D489 WeakPolarHBondContact OH-CA 3.38Å; Y486-D489 PolarHBondContact OH-OD1 3.32Å; I487-D489 PolarHBondContact O-N 2.83Å; D489-R617 VanDerWaalsContact CG-NH2 3.3Å; D489-R617 IonicContact OD1-CZ 3.57Å; D489-R617 IonicContact OD1-NE 3.48Å; D489-R617 IonicContact OD1-NH2 2.69Å; D489-R617 PolarHBondContact OD1-NH2 3.46Å; D489-R617 IonicContact OD2-CZ 3.47Å; D489-R617 IonicContact OD2-NE 2.69Å; D489-R617 PolarHBondContact OD2-NE 3.05Å; D489-R617 VanDerWaalsContact OD2-NE 3.1Å; D489-R617 IonicContact OD2-NH2 3.29Å; D489-R617 PolarHBondContact OD2-NH2 3.37Å
490	T	90.9	Very high	90.6	Very high	62 Å²	62	50.9 Å²	50.9	38%	0.38	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.1	179.3	-54.4	0	0	0	0	111.2	Y486 I487 G488 Y492	Y486-T490 WeakPolarHBondContact CA-O 3.44Å; I487-T490 PolarHBondContact N-O 3.32Å; I487-T490 PolarHBondContact O-N 3.46Å; I487-T490 VanDerWaalsContact O-N 3.13Å; G488-T490 PolarHBondContact O-N 2.75Å; G488-T490 VanDerWaalsContact O-N 3.17Å; G488-T490 PolarHBondContact O-OG1 3.4Å; T490-Y492 HydrophobicContact CG2-CD1 4.32Å; T490-Y492 HydrophobicContact CG2-CD2 4.27Å; T490-Y492 HydrophobicContact CG2-CE1 3.91Å; T490-Y492 HydrophobicContact CG2-CE2 3.85Å; T490-Y492 HydrophobicContact CG2-CG 4.49Å
491	H	92.8	Very high	90.8	Very high	59 Å²	59	50.3 Å²	50.3	27%	0.273	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	106.6	171.8	-178.8	-161.5	0	0	0	110.2	Q484 Y486 M635	Q484-H491 PolarHBondContact OE1-NE2 3.48Å; Y486-H491 HydrophobicContact CD2-CB 3.92Å; H491-M635 VanDerWaalsContact CD2-CE 3.44Å; H491-M635 WeakPolarHBondContact CD2-CE 3.4Å; H491-M635 WeakPolarHBondContact NE2-CE 3.22Å
492	Y	92.5	Very high	91	Very high	52 Å²	52	51.6 Å²	51.6	20%	0.204	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	119.8	174.3	-60.9	-82	0	0	0	110.4	Q484 A485 I487 T490 T494 P496 A500	Q484-Y492 WeakPolarHBondContact CA-O 3.48Å; Q484-Y492 WeakPolarHBondContact CB-O 3.38Å; A485-Y492 PolarHBondContact N-O 3.38Å; A485-Y492 WeakPolarHBondContact O-CA 3.37Å; A485-Y492 WeakPolarHBondContact O-CB 3.44Å; A485-Y492 PolarHBondContact O-N 2.95Å; I487-Y492 HydrophobicContact CB-CE2 4.43Å; T490-Y492 HydrophobicContact CG2-CD1 4.32Å; T490-Y492 HydrophobicContact CG2-CD2 4.27Å; T490-Y492 HydrophobicContact CG2-CE1 3.91Å; T490-Y492 HydrophobicContact CG2-CE2 3.85Å; T490-Y492 HydrophobicContact CG2-CG 4.49Å; Y492-T494 VanDerWaalsContact C-N 3.29Å; Y492-T494 WeakPolarHBondContact CB-O 3.35Å; Y492-P496 HydrophobicContact CD1-CB 3.67Å; Y492-P496 HydrophobicContact CD1-CG 4.16Å; Y492-P496 HydrophobicContact CD2-CB 4.35Å; Y492-P496 HydrophobicContact CD2-CG 3.97Å; Y492-P496 HydrophobicContact CE1-CB 3.75Å; Y492-P496 HydrophobicContact CE1-CG 4.39Å; Y492-P496 HydrophobicContact CE2-CB 4.42Å; Y492-P496 HydrophobicContact CE2-CG 4.22Å; Y492-P496 HydrophobicContact CG-CB 3.97Å; Y492-P496 HydrophobicContact CG-CG 3.93Å; Y492-A500 PolarHBondContact OH-O 2.86Å
493	R	89.4	Confident	90.9	Very high	176 Å²	176	55.4 Å²	55.4	66%	0.664	30%	0.297	S	S	*	.	S	Bend	trans	-78.7	-13.4	175.7	-68.7	-169.8	177.7	-165.7	-2.6	113.9
494	T	89.3	Confident	90.9	Very high	105 Å²	105	55.4 Å²	55.4	64%	0.644	31%	0.305	S	S	*	.	S	Bend	trans	-134.2	149.7	172.2	52	0	0	0	0	107.2	V483 Y492 P496	V483-T494 CarbonylContact O-C 3.6Å; V483-T494 VanDerWaalsContact O-CA 3.31Å; V483-T494 WeakPolarHBondContact O-CA 3.3Å; Y492-T494 VanDerWaalsContact C-N 3.29Å; Y492-T494 WeakPolarHBondContact CB-O 3.35Å; T494-P496 VanDerWaalsContact O-N 3.17Å
495	V	88.4	Confident	90.8	Very high	43 Å²	43	55 Å²	55	26%	0.261	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-52.9	124.1	177.1	179.3	0	0	0	0	109.6	V482 V483 L547 D550 L551	V482-V495 HydrophobicContact CG1-CG2 4.46Å; V482-V495 VanDerWaalsContact O-CG2 3.26Å; V482-V495 WeakPolarHBondContact O-CG2 3.32Å; V483-V495 PolarHBondContact O-N 2.68Å; V495-L547 HydrophobicContact CG1-CD1 3.69Å; V495-L547 HydrophobicContact CG2-CD1 4.11Å; V495-D550 HydrophobicContact CG1-CB 4.27Å; V495-L551 HydrophobicContact CG1-CD2 4.44Å
496	P	90.3	Very high	90.7	Very high	13 Å²	13	55.4 Å²	55.4	8%	0.084	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-74.5	157.1	-178.8	30.3	-35.7	0	0	0	111.8	Y492 T494 A500 I501 L551	Y492-P496 HydrophobicContact CD1-CB 3.67Å; Y492-P496 HydrophobicContact CD1-CG 4.16Å; Y492-P496 HydrophobicContact CD2-CB 4.35Å; Y492-P496 HydrophobicContact CD2-CG 3.97Å; Y492-P496 HydrophobicContact CE1-CB 3.75Å; Y492-P496 HydrophobicContact CE1-CG 4.39Å; Y492-P496 HydrophobicContact CE2-CB 4.42Å; Y492-P496 HydrophobicContact CE2-CG 4.22Å; Y492-P496 HydrophobicContact CG-CB 3.97Å; Y492-P496 HydrophobicContact CG-CG 3.93Å; T494-P496 VanDerWaalsContact O-N 3.17Å; P496-A500 HydrophobicContact CB-CB 4.26Å; P496-I501 HydrophobicContact CG-CD1 3.94Å; P496-I501 HydrophobicContact CG-CG1 4.23Å; P496-L551 WeakPolarHBondContact O-CD2 3.2Å
497	E	90.1	Very high	90.6	Very high	110 Å²	110	57.2 Å²	57.2	51%	0.514	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-66	149.6	167.3	-72.3	-71.1	164.8	0	0	110.7	D499 A500 K552	E497-D499 PolarHBondContact O-N 2.86Å; E497-D499 VanDerWaalsContact O-N 3.14Å; E497-A500 WeakPolarHBondContact O-CB 3.38Å; E497-A500 PolarHBondContact O-N 2.87Å; E497-K552 IonicContact OE1-NZ 3.22Å; E497-K552 VanDerWaalsContact OE2-CE 3.29Å; E497-K552 WeakPolarHBondContact OE2-CE 3.46Å; E497-K552 IonicContact OE2-NZ 3.1Å; E497-K552 PolarHBondContact OE2-NZ 3.11Å
498	P	88.6	Confident	90.6	Very high	18 Å²	18	58.3 Å²	58.3	12%	0.117	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-57	-33.9	-175.6	-25.9	35.9	0	0	0	113.8	A500 I501 L506 L551 K552	P498-A500 PolarHBondContact O-N 3.27Å; P498-I501 PolarHBondContact O-N 3.34Å; P498-I501 VanDerWaalsContact O-N 3.14Å; P498-L506 HydrophobicContact CB-CD2 4.23Å; P498-L551 WeakPolarHBondContact CG-O 3.35Å; P498-K552 HydrophobicContact CG-CB 4.11Å; P498-K552 HydrophobicContact CG-CD 4.08Å; P498-K552 HydrophobicContact CG-CG 4.02Å
499	D	87.5	Confident	90.9	Very high	157 Å²	157	57.7 Å²	57.7	84%	0.84	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-67.5	-18	-178.7	-58.5	-30.9	0	0	0	113.3	E497 I501	E497-D499 PolarHBondContact O-N 2.86Å; E497-D499 VanDerWaalsContact O-N 3.14Å; D499-I501 VanDerWaalsContact C-N 3.3Å
500	A	89	Confident	91.2	Very high	56 Å²	56	55.3 Å²	55.3	46%	0.463	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-81.1	-10.6	176.7	0	0	0	0	0	113	Y492 P496 E497 P498	Y492-A500 PolarHBondContact OH-O 2.86Å; P496-A500 HydrophobicContact CB-CB 4.26Å; E497-A500 WeakPolarHBondContact O-CB 3.38Å; E497-A500 PolarHBondContact O-N 2.87Å; P498-A500 PolarHBondContact O-N 3.27Å
501	I	90.2	Very high	91.3	Very high	13 Å²	13	54.9 Å²	54.9	7%	0.067	30%	0.301	C	S	.	.	S	Bend	trans	-106.2	138.8	-179.5	-56.2	173.7	0	0	0	109	I487 P496 P498 D499 T505 L506 L551	I487-I501 HydrophobicContact CD1-CD1 3.83Å; I487-I501 HydrophobicContact CG2-CG2 3.98Å; P496-I501 HydrophobicContact CG-CD1 3.94Å; P496-I501 HydrophobicContact CG-CG1 4.23Å; P498-I501 PolarHBondContact O-N 3.34Å; P498-I501 VanDerWaalsContact O-N 3.14Å; D499-I501 VanDerWaalsContact C-N 3.3Å; I501-T505 HydrophobicContact CG2-CG2 4.35Å; I501-L506 HydrophobicContact CB-CB 4.5Å; I501-L506 HydrophobicContact CD1-CD1 4.31Å; I501-L506 HydrophobicContact CG2-CB 4Å; I501-L551 HydrophobicContact CD1-CD1 4.4Å; I501-L551 HydrophobicContact CD1-CD2 3.77Å
502	N	92.2	Very high	91.4	Very high	58 Å²	58	52.1 Å²	52.1	31%	0.31	29%	0.289	S	S	.	.			trans	-55.7	131	172.5	-178.5	-73.5	0	0	0	110.6	G504 T505 L506 K613	N502-G504 VanDerWaalsContact C-N 3.3Å; N502-G504 PolarHBondContact O-N 3.09Å; N502-G504 PolarHBondContact OD1-N 3.2Å; N502-T505 WeakPolarHBondContact O-CB 3.49Å; N502-T505 PolarHBondContact O-N 3.43Å; N502-L506 PolarHBondContact O-N 3.43Å; N502-K613 PolarHBondContact ND2-O 3.14Å
503	P	91.1	Very high	91.6	Very high	86 Å²	86	49.9 Å²	49.9	56%	0.558	28%	0.28	S	S	*	.	H	α-helix	trans	-54.4	-40.8	-176.6	-28.7	34.7	0	0	0	114.3	L506 D507	P503-L506 PolarHBondContact O-N 3.44Å; P503-D507 PolarHBondContact O-N 3.37Å
504	G	91.3	Very high	91.8	Very high	39 Å²	39	41.5 Å²	41.5	40%	0.402	25%	0.249	S	C	.	.	H	α-helix	trans	-68.9	-36.2	179	0	0	0	0	0	113	N502 T508	N502-G504 VanDerWaalsContact C-N 3.3Å; N502-G504 PolarHBondContact O-N 3.09Å; N502-G504 PolarHBondContact OD1-N 3.2Å; G504-T508 WeakPolarHBondContact O-CB 3.49Å; G504-T508 PolarHBondContact O-N 2.96Å; G504-T508 VanDerWaalsContact O-N 3.12Å; G504-T508 PolarHBondContact O-OG1 2.87Å
505	T	92.3	Very high	91.9	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-68.4	-41.1	173.3	-55.5	0	0	0	0	111.3	I487 I501 N502 T508 L509 L610 G614 I672	I487-T505 HydrophobicContact CG2-CG2 4Å; I501-T505 HydrophobicContact CG2-CG2 4.35Å; N502-T505 WeakPolarHBondContact O-CB 3.49Å; N502-T505 PolarHBondContact O-N 3.43Å; T505-T508 PolarHBondContact O-N 3.4Å; T505-L509 WeakPolarHBondContact O-CB 3.43Å; T505-L509 PolarHBondContact O-N 3.18Å; T505-L610 HydrophobicContact CG2-CD1 3.96Å; T505-G614 WeakPolarHBondContact OG1-CA 3.21Å; T505-I672 HydrophobicContact CG2-CG2 4.46Å
506	L	93.1	Very high	92	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.037	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-49.8	177.4	-179.3	62.6	0	0	0	110.9	P498 I501 N502 P503 T508 L509 V510 L551	P498-L506 HydrophobicContact CB-CD2 4.23Å; I501-L506 HydrophobicContact CB-CB 4.5Å; I501-L506 HydrophobicContact CD1-CD1 4.31Å; I501-L506 HydrophobicContact CG2-CB 4Å; N502-L506 PolarHBondContact O-N 3.43Å; P503-L506 PolarHBondContact O-N 3.44Å; L506-T508 VanDerWaalsContact C-N 3.32Å; L506-T508 PolarHBondContact O-N 3Å; L506-L509 PolarHBondContact O-N 3.07Å; L506-V510 HydrophobicContact CD1-CG2 4.16Å; L506-V510 HydrophobicContact CG-CG2 4.44Å; L506-V510 WeakPolarHBondContact O-CB 3.38Å; L506-V510 VanDerWaalsContact O-CG2 3.22Å; L506-V510 WeakPolarHBondContact O-CG2 3.38Å; L506-V510 PolarHBondContact O-N 2.9Å; L506-L551 HydrophobicContact CD1-CB 4.24Å; L506-L551 HydrophobicContact CD1-CD1 3.83Å; L506-L551 HydrophobicContact CD1-CG 4.43Å
507	D	93.1	Very high	91.9	Very high	72 Å²	72	34.4 Å²	34.4	39%	0.385	21%	0.205	S	C	.	.	H	α-helix	trans	-63.6	-38.6	179.7	-69	-14.4	0	0	0	111.6	P503 N511 R553	P503-D507 PolarHBondContact O-N 3.37Å; D507-N511 VanDerWaalsContact O-CB 3.32Å; D507-N511 WeakPolarHBondContact O-CB 3.24Å; D507-N511 VanDerWaalsContact O-CG 3.31Å; D507-N511 PolarHBondContact O-N 2.93Å; D507-N511 PolarHBondContact O-ND2 2.94Å; D507-N511 VanDerWaalsContact O-ND2 3.09Å; D507-R553 IonicContact OD1-NH2 3.34Å; D507-R553 PolarHBondContact OD1-NH2 3.17Å
508	T	93.4	Very high	91.4	Very high	27 Å²	27	30.8 Å²	30.8	17%	0.166	19%	0.194	C	C	.	.	H	α-helix	trans	-65.5	-41.9	175.5	-54.9	0	0	0	0	111.7	G504 T505 L506 S512 Y647 I672	G504-T508 WeakPolarHBondContact O-CB 3.49Å; G504-T508 PolarHBondContact O-N 2.96Å; G504-T508 VanDerWaalsContact O-N 3.12Å; G504-T508 PolarHBondContact O-OG1 2.87Å; T505-T508 PolarHBondContact O-N 3.4Å; L506-T508 VanDerWaalsContact C-N 3.32Å; L506-T508 PolarHBondContact O-N 3Å; T508-S512 VanDerWaalsContact O-CB 3.24Å; T508-S512 WeakPolarHBondContact O-CB 3.5Å; T508-S512 PolarHBondContact O-N 2.61Å; T508-Y647 HydrophobicContact CG2-CD1 4.22Å; T508-Y647 HydrophobicContact CG2-CE1 4.24Å; T508-I672 HydrophobicContact CG2-CD1 3.91Å; T508-I672 HydrophobicContact CG2-CG1 4.42Å
509	L	94.9	Very high	90.8	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.3	-46.6	177.4	179.7	63	0	0	0	111.4	I487 T505 L506 S512 I513 L551 V645 I672 A673	I487-L509 HydrophobicContact CD1-CD2 3.93Å; T505-L509 WeakPolarHBondContact O-CB 3.43Å; T505-L509 PolarHBondContact O-N 3.18Å; L506-L509 PolarHBondContact O-N 3.07Å; L509-S512 PolarHBondContact O-N 3.2Å; L509-I513 HydrophobicContact CD1-CD1 3.82Å; L509-I513 HydrophobicContact CD1-CG1 4.29Å; L509-I513 HydrophobicContact CG-CD1 3.99Å; L509-I513 WeakPolarHBondContact O-CG1 3.45Å; L509-I513 PolarHBondContact O-N 2.94Å; L509-L551 HydrophobicContact CD2-CD1 4.3Å; L509-V645 HydrophobicContact CD1-CB 4.39Å; L509-V645 HydrophobicContact CD1-CG1 4.23Å; L509-I672 HydrophobicContact CB-CG2 3.87Å; L509-I672 HydrophobicContact CD1-CG2 3.82Å; L509-I672 HydrophobicContact CG-CG2 4.4Å; L509-A673 HydrophobicContact CD1-CB 3.92Å
510	V	94.9	Very high	90.2	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-62.9	-46.3	179.6	170.4	0	0	0	0	110.8	L506 S512 I513 S514 V548 R553 I558	L506-V510 HydrophobicContact CD1-CG2 4.16Å; L506-V510 HydrophobicContact CG-CG2 4.44Å; L506-V510 WeakPolarHBondContact O-CB 3.38Å; L506-V510 VanDerWaalsContact O-CG2 3.22Å; L506-V510 WeakPolarHBondContact O-CG2 3.38Å; L506-V510 PolarHBondContact O-N 2.9Å; V510-S512 PolarHBondContact O-N 2.7Å; V510-I513 PolarHBondContact O-N 3.24Å; V510-S514 VanDerWaalsContact O-CB 3.25Å; V510-S514 WeakPolarHBondContact O-CB 3.39Å; V510-S514 PolarHBondContact O-N 3.47Å; V510-S514 PolarHBondContact O-OG 3.11Å; V510-V548 HydrophobicContact CG1-CG1 3.82Å; V510-V548 HydrophobicContact CG2-CG1 4.24Å; V510-V548 HydrophobicContact CG2-CG2 4.47Å; V510-R553 HydrophobicContact CG1-CB 4.28Å; V510-R553 HydrophobicContact CG2-CB 4.15Å; V510-R553 HydrophobicContact CG2-CG 4.07Å; V510-I558 HydrophobicContact CG1-CD1 3.53Å
511	N	93.5	Very high	89.8	Confident	53 Å²	53	28 Å²	28	28%	0.283	17%	0.17	S	C	.	.	H	α-helix	trans	-61.1	-45.4	174.7	-77.8	-36	0	0	0	111.6	D507 I513 S514 V515	D507-N511 VanDerWaalsContact O-CB 3.32Å; D507-N511 WeakPolarHBondContact O-CB 3.24Å; D507-N511 VanDerWaalsContact O-CG 3.31Å; D507-N511 PolarHBondContact O-N 2.93Å; D507-N511 PolarHBondContact O-ND2 2.94Å; D507-N511 VanDerWaalsContact O-ND2 3.09Å; N511-I513 PolarHBondContact O-N 2.93Å; N511-S514 PolarHBondContact O-N 3.44Å; N511-V515 WeakPolarHBondContact O-CB 3.45Å; N511-V515 WeakPolarHBondContact O-CG2 3.31Å; N511-V515 PolarHBondContact O-N 2.91Å
512	S	94.8	Very high	89.5	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.007	18%	0.181	C	C	.	.	H	α-helix	trans	-60.2	-43.5	179.4	-175.8	0	0	0	0	112.3	T508 L509 V510 N516 Y594 V645	T508-S512 VanDerWaalsContact O-CB 3.24Å; T508-S512 WeakPolarHBondContact O-CB 3.5Å; T508-S512 PolarHBondContact O-N 2.61Å; L509-S512 PolarHBondContact O-N 3.2Å; V510-S512 PolarHBondContact O-N 2.7Å; S512-N516 WeakPolarHBondContact O-CB 3.49Å; S512-N516 PolarHBondContact O-N 3.28Å; S512-Y594 VanDerWaalsContact CA-CD1 3.48Å; S512-Y594 WeakPolarHBondContact OG-CD1 3.43Å; S512-V645 WeakPolarHBondContact OG-CG1 3.44Å
513	I	95.4	Very high	89.2	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-71.6	-43.4	-179.5	-70.6	171.2	0	0	0	111.2	L509 V510 N511 S517 L544 L545 L547 V548	L509-I513 HydrophobicContact CD1-CD1 3.82Å; L509-I513 HydrophobicContact CD1-CG1 4.29Å; L509-I513 HydrophobicContact CG-CD1 3.99Å; L509-I513 WeakPolarHBondContact O-CG1 3.45Å; L509-I513 PolarHBondContact O-N 2.94Å; V510-I513 PolarHBondContact O-N 3.24Å; N511-I513 PolarHBondContact O-N 2.93Å; I513-S517 WeakPolarHBondContact O-CB 3.42Å; I513-S517 PolarHBondContact O-OG 3.2Å; I513-L544 HydrophobicContact CD1-CB 4.42Å; I513-L544 HydrophobicContact CG1-CB 4.39Å; I513-L544 HydrophobicContact CG2-CB 3.64Å; I513-L544 WeakPolarHBondContact CG2-O 3.32Å; I513-L545 HydrophobicContact CG2-CD2 4.14Å; I513-L547 HydrophobicContact CD1-CD2 4.19Å; I513-V548 HydrophobicContact CB-CG2 3.94Å; I513-V548 HydrophobicContact CD1-CG2 4.1Å; I513-V548 HydrophobicContact CG2-CG2 3.7Å
514	S	93.8	Very high	88.8	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.007	16%	0.159	C	C	.	.	H	α-helix	trans	-66.2	-41.5	-175	-56.3	0	0	0	0	112	V510 N511 Y555 R559	V510-S514 VanDerWaalsContact O-CB 3.25Å; V510-S514 WeakPolarHBondContact O-CB 3.39Å; V510-S514 PolarHBondContact O-N 3.47Å; V510-S514 PolarHBondContact O-OG 3.11Å; N511-S514 PolarHBondContact O-N 3.44Å; S514-Y555 VanDerWaalsContact OG-CB 3.25Å; S514-Y555 WeakPolarHBondContact OG-CB 3.33Å; S514-R559 PolarHBondContact O-NE 2.84Å
515	V	92.1	Very high	88.3	Confident	5 Å²	5	30.6 Å²	30.6	3%	0.03	17%	0.172	C	C	.	.	H	α-helix	trans	-82	-45.7	-179.3	175.4	0	0	0	0	111.8	N511 S517 I558 I562 T582 L584 Y594	N511-V515 WeakPolarHBondContact O-CB 3.45Å; N511-V515 WeakPolarHBondContact O-CG2 3.31Å; N511-V515 PolarHBondContact O-N 2.91Å; V515-S517 PolarHBondContact O-N 3.27Å; V515-I558 HydrophobicContact CG2-CG2 4.22Å; V515-I562 HydrophobicContact CG2-CD1 4.03Å; V515-T582 HydrophobicContact CG1-CG2 3.74Å; V515-L584 HydrophobicContact CG1-CD1 3.92Å; V515-L584 HydrophobicContact CG1-CD2 3.97Å; V515-L584 HydrophobicContact CG1-CG 4.04Å; V515-L584 HydrophobicContact CG2-CD1 4.24Å; V515-Y594 HydrophobicContact CB-CD2 4.16Å; V515-Y594 HydrophobicContact CB-CE2 4.4Å; V515-Y594 HydrophobicContact CG1-CD2 4.09Å; V515-Y594 HydrophobicContact CG1-CE2 4.48Å
516	N	90.9	Very high	87.6	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	19%	0.187	C	C	.	.	S	Bend	trans	-85	39.6	-177	-165	26.7	0	0	0	112	S512 M580 T582 Y594 S595 K596	S512-N516 WeakPolarHBondContact O-CB 3.49Å; S512-N516 PolarHBondContact O-N 3.28Å; N516-M580 PolarHBondContact ND2-O 2.95Å; N516-M580 VanDerWaalsContact ND2-O 3.15Å; N516-T582 PolarHBondContact OD1-N 3.16Å; N516-T582 PolarHBondContact OD1-OG1 3.49Å; N516-Y594 PolarHBondContact ND2-O 3.5Å; N516-S595 VanDerWaalsContact ND2-CA 3.26Å; N516-S595 WeakPolarHBondContact ND2-CA 3.43Å; N516-S595 PolarHBondContact ND2-N 2.79Å; N516-K596 PolarHBondContact ND2-N 3.02Å; N516-K596 VanDerWaalsContact O-CD 3.26Å; N516-K596 WeakPolarHBondContact O-CD 3.26Å; N516-K596 WeakPolarHBondContact O-CE 3.35Å; N516-K596 PolarHBondContact O-NZ 3.4Å
517	S	88.8	Confident	86.3	Confident	5 Å²	5	40.1 Å²	40.1	4%	0.035	22%	0.22	C	C	.	.	S	Bend	trans	-135.1	142.8	172.5	-65.1	0	0	0	0	108.6	I513 V515 Y519 R559 K596	I513-S517 WeakPolarHBondContact O-CB 3.42Å; I513-S517 PolarHBondContact O-OG 3.2Å; V515-S517 PolarHBondContact O-N 3.27Å; S517-Y519 PolarHBondContact O-N 3.44Å; S517-R559 PolarHBondContact O-NH2 3.24Å; S517-K596 PolarHBondContact OG-NZ 2.86Å; S517-K596 VanDerWaalsContact OG-NZ 3.12Å
518	A	78.6	Confident	85.3	Confident	35 Å²	35	44.9 Å²	44.9	29%	0.289	24%	0.237	S	C	.	.			trans	-54.3	138	-177	0	0	0	0	0	110.8	T520 T521 E541 R559	A518-T520 PolarHBondContact O-N 2.84Å; A518-T521 VanDerWaalsContact O-CB 3.29Å; A518-T521 WeakPolarHBondContact O-CB 3.38Å; A518-T521 PolarHBondContact O-N 2.98Å; A518-E541 PolarHBondContact N-OE2 2.95Å; A518-R559 PolarHBondContact O-NH2 2.83Å
519	Y	76.5	Confident	83.7	Confident	65 Å²	65	53.5 Å²	53.5	26%	0.255	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-25.1	-177	-160.5	-96.2	0	0	0	112.3	S517 T521 K522 R559	S517-Y519 PolarHBondContact O-N 3.44Å; Y519-T521 VanDerWaalsContact C-N 3.29Å; Y519-K522 WeakPolarHBondContact O-CE 3.17Å; Y519-R559 HydrophobicContact CE2-CB 3.85Å; Y519-R559 HydrophobicContact CE2-CG 4.36Å
520	T	74.8	Confident	82.2	Confident	105 Å²	105	57.6 Å²	57.6	64%	0.644	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-20.1	172.1	54.1	0	0	0	0	113.3	A518 K522	A518-T520 PolarHBondContact O-N 2.84Å; T520-K522 PolarHBondContact O-N 3.25Å
521	T	79.8	Confident	80.7	Confident	1 Å²	1	59 Å²	59	1%	0.006	33%	0.334	C	S	.	.			trans	-77.5	118.3	177.4	-62.7	0	0	0	0	109.8	A518 Y519 V536 N538 E541 C542 L545 R559	A518-T521 VanDerWaalsContact O-CB 3.29Å; A518-T521 WeakPolarHBondContact O-CB 3.38Å; A518-T521 PolarHBondContact O-N 2.98Å; Y519-T521 VanDerWaalsContact C-N 3.29Å; T521-V536 CarbonylContact C-O 3.14Å; T521-V536 WeakPolarHBondContact CA-O 3.47Å; T521-N538 PolarHBondContact OG1-N 2.83Å; T521-E541 WeakPolarHBondContact CB-OE2 3.41Å; T521-E541 HydrophobicContact CG2-CB 3.63Å; T521-E541 PolarHBondContact OG1-OE2 2.83Å; T521-C542 HydrophobicContact CG2-CB 4.46Å; T521-C542 WeakPolarHBondContact CG2-SG 3.39Å; T521-L545 HydrophobicContact CG2-CD1 3.82Å; T521-R559 PolarHBondContact O-NH1 2.7Å
522	K	83.4	Confident	79.5	Confident	71 Å²	71	61.4 Å²	61.4	31%	0.309	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.5	-177.1	-62.5	-176	-179.5	-175.2	0	111.7	Y519 T520 V536	Y519-K522 WeakPolarHBondContact O-CE 3.17Å; T520-K522 PolarHBondContact O-N 3.25Å; K522-V536 PolarHBondContact N-O 2.81Å; K522-V536 PolarHBondContact O-N 2.9Å
523	I	86.6	Confident	78.8	Confident	18 Å²	18	63.5 Å²	63.5	9%	0.092	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.6	165.1	-58	174.9	0	0	0	107	P533 R534 C542 L545 G546 L549 Y555	I523-P533 HydrophobicContact CG2-CB 3.64Å; I523-R534 WeakPolarHBondContact CA-O 3.26Å; I523-C542 WeakPolarHBondContact CD1-O 3.34Å; I523-L545 HydrophobicContact CD1-CB 3.88Å; I523-L545 HydrophobicContact CG1-CB 4.35Å; I523-G546 VanDerWaalsContact CD1-N 3.29Å; I523-L549 HydrophobicContact CB-CD1 4.28Å; I523-L549 HydrophobicContact CD1-CD1 3.75Å; I523-L549 HydrophobicContact CG2-CD1 4.18Å; I523-Y555 PolarHBondContact N-OH 3.16Å; I523-Y555 PolarHBondContact O-OH 3.48Å
524	L	82.6	Confident	78	Confident	58 Å²	58	69 Å²	69	30%	0.304	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	152.1	178.4	-64	174.4	0	0	0	110	P533 R534 V536	L524-P533 CarbonylContact O-C 3.13Å; L524-P533 WeakPolarHBondContact O-CA 3.48Å; L524-R534 HydrophobicContact CB-CB 4.27Å; L524-R534 PolarHBondContact N-O 3.01Å; L524-R534 PolarHBondContact O-N 3.28Å; L524-V536 HydrophobicContact CD1-CG2 3.62Å; L524-V536 HydrophobicContact CG-CG2 4.23Å
525	P	82	Confident	77.1	Confident	104 Å²	104	70.8 Å²	70.8	68%	0.675	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-58.8	156.4	172.1	25.7	-34	0	0	0	111.1
526	P	77.6	Confident	76.3	Confident	50 Å²	50	73 Å²	73	33%	0.325	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-62.8	146	177.7	27.5	-35.5	0	0	0	111.9	K528 G531 L532	P526-K528 WeakPolarHBondContact CB-O 3.28Å; P526-K528 PolarHBondContact O-N 3.11Å; P526-G531 VanDerWaalsContact CB-C 3.43Å; P526-G531 VanDerWaalsContact CB-O 3.29Å; P526-G531 WeakPolarHBondContact CB-O 3.4Å; P526-G531 WeakPolarHBondContact CG-O 3.28Å; P526-L532 WeakPolarHBondContact CB-O 3.25Å
527	E	65.9	Low	75.4	Confident	159 Å²	159	75.2 Å²	75.2	74%	0.743	43%	0.426	S	S	*	.	S	Bend	trans	-71	-20.3	176.4	-69.1	179.7	-175.1	0	0	112.9	R534	E527-R534 IonicContact OE1-NH1 2.84Å; E527-R534 PolarHBondContact OE1-NH1 3.45Å
528	K	70.4	Confident	74.8	Confident	172 Å²	172	79 Å²	79	75%	0.748	45%	0.445	S	S	*	.	S	Bend	trans	-125.3	142.3	177.7	-64.7	-179.6	-176.9	173.5	0	109.9	P526 G530 G531	P526-K528 WeakPolarHBondContact CB-O 3.28Å; P526-K528 PolarHBondContact O-N 3.11Å; K528-G530 PolarHBondContact O-N 3.23Å; K528-G531 PolarHBondContact O-N 3.32Å
529	E	59.5	Low	74.8	Confident	208 Å²	208	81.1 Å²	81.1	97%	0.972	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	127	174.1	-120.8	175.7	169.8	0	0	110.6	G531	E529-G531 VanDerWaalsContact C-N 3.31Å; E529-G531 PolarHBondContact O-N 3.45Å
530	G	63.7	Low	75.2	Confident	86 Å²	86	79.1 Å²	79.1	89%	0.887	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	1	-174.5	0	0	0	0	0	115.8	K528	K528-G530 PolarHBondContact O-N 3.23Å
531	G	64	Low	75.8	Confident	37 Å²	37	74.6 Å²	74.6	38%	0.381	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-75.4	170	173.8	0	0	0	0	0	113.8	P526 K528 E529	P526-G531 VanDerWaalsContact CB-C 3.43Å; P526-G531 VanDerWaalsContact CB-O 3.29Å; P526-G531 WeakPolarHBondContact CB-O 3.4Å; P526-G531 WeakPolarHBondContact CG-O 3.28Å; K528-G531 PolarHBondContact O-N 3.32Å; E529-G531 VanDerWaalsContact C-N 3.31Å; E529-G531 PolarHBondContact O-N 3.45Å
532	L	69.3	Low	76.2	Confident	103 Å²	103	74.6 Å²	74.6	54%	0.539	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-80.6	145.6	175.5	-68.3	169.5	0	0	0	111.7	M477 P526	M477-L532 HydrophobicContact SD-CD1 4.03Å; P526-L532 WeakPolarHBondContact CB-O 3.25Å
533	P	79.8	Confident	76.6	Confident	45 Å²	45	71.2 Å²	71.2	29%	0.292	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-55.8	140.4	173.5	-22.7	30.9	0	0	0	112.8	I523 L524	I523-P533 HydrophobicContact CG2-CB 3.64Å; L524-P533 CarbonylContact O-C 3.13Å; L524-P533 WeakPolarHBondContact O-CA 3.48Å
534	R	78	Confident	77	Confident	120 Å²	120	70.5 Å²	70.5	45%	0.453	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.7	-177.4	-170.5	178.2	81.1	155.1	8.1	111.2	I523 L524 E527	I523-R534 WeakPolarHBondContact CA-O 3.26Å; L524-R534 HydrophobicContact CB-CB 4.27Å; L524-R534 PolarHBondContact N-O 3.01Å; L524-R534 PolarHBondContact O-N 3.28Å; E527-R534 IonicContact OE1-NH1 2.84Å; E527-R534 PolarHBondContact OE1-NH1 3.45Å
535	H	75.7	Confident	77.5	Confident	38 Å²	38	67.7 Å²	67.7	18%	0.176	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125	174.8	-73	-163.6	0	0	0	110.4	R479 M480 C542	R479-H535 WeakPolarHBondContact CG-CE1 3.41Å; R479-H535 PolarHBondContact NE-CE1 3.42Å; R479-H535 PolarHBondContact NE-NE2 2.98Å; R479-H535 PolarHBondContact NH2-NE2 3.4Å; M480-H535 PolarHBondContact O-CE1 3.33Å; H535-C542 HydrophobicContact CB-CB 3.92Å; H535-C542 WeakPolarHBondContact ND1-CB 3.31Å
536	V	75	Confident	78	Confident	51 Å²	51	63 Å²	63	31%	0.309	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.7	174.1	-178.8	0	0	0	0	108.2	T521 K522 L524 C542	T521-V536 CarbonylContact C-O 3.14Å; T521-V536 WeakPolarHBondContact CA-O 3.47Å; K522-V536 PolarHBondContact N-O 2.81Å; K522-V536 PolarHBondContact O-N 2.9Å; L524-V536 HydrophobicContact CD1-CG2 3.62Å; L524-V536 HydrophobicContact CG-CG2 4.23Å; V536-C542 PolarHBondContact O-SG 3.25Å
537	G	72.6	Confident	78.8	Confident	49 Å²	49	60.7 Å²	60.7	51%	0.505	34%	0.337	S	S	.	.	S	Bend	trans	93.1	-152.1	-177.5	0	0	0	0	0	113.4	K539	G537-K539 PolarHBondContact O-N 3.29Å
538	N	74.6	Confident	80.2	Confident	84 Å²	84	53.1 Å²	53.1	45%	0.449	30%	0.302	S	S	.	.			trans	-71.9	122.5	-177.4	-177.2	-38.8	0	0	0	110.4	T521 T540 E541 C542	T521-N538 PolarHBondContact OG1-N 2.83Å; N538-T540 VanDerWaalsContact C-N 3.27Å; N538-T540 PolarHBondContact O-N 3.39Å; N538-T540 WeakPolarHBondContact OD1-CB 3.37Å; N538-T540 PolarHBondContact OD1-N 3.46Å; N538-T540 PolarHBondContact OD1-OG1 3.12Å; N538-E541 HydrophobicContact CB-CB 4.24Å; N538-E541 HydrophobicContact CB-CG 3.75Å; N538-E541 WeakPolarHBondContact O-CB 3.34Å; N538-E541 PolarHBondContact O-N 3.31Å; N538-C542 PolarHBondContact O-N 3.23Å; N538-C542 PolarHBondContact O-SG 3.34Å
539	K	79.5	Confident	81.3	Confident	80 Å²	80	48.1 Å²	48.1	35%	0.348	28%	0.283	S	S	.	.	H	α-helix	trans	-61	-33.1	-176.2	-60.2	-169.3	-179.3	-165.8	0	113.5	N478 M480 G537 E541 C542 A543	N478-K539 PolarHBondContact ND2-NZ 2.87Å; N478-K539 PolarHBondContact O-NZ 3.08Å; N478-K539 PolarHBondContact OD1-NZ 2.99Å; M480-K539 HydrophobicContact CB-CB 4.27Å; M480-K539 WeakPolarHBondContact CB-O 3.43Å; M480-K539 HydrophobicContact CG-CB 3.76Å; G537-K539 PolarHBondContact O-N 3.29Å; K539-E541 VanDerWaalsContact C-N 3.32Å; K539-C542 PolarHBondContact O-N 3.43Å; K539-A543 PolarHBondContact O-N 3.46Å
540	T	84.4	Confident	82.8	Confident	22 Å²	22	42.6 Å²	42.6	14%	0.135	26%	0.26	C	S	.	.	H	α-helix	trans	-67.4	-37.9	177.2	-48	0	0	0	0	110.6	N538 A543 L544 R641 I643 I677	N538-T540 VanDerWaalsContact C-N 3.27Å; N538-T540 PolarHBondContact O-N 3.39Å; N538-T540 WeakPolarHBondContact OD1-CB 3.37Å; N538-T540 PolarHBondContact OD1-N 3.46Å; N538-T540 PolarHBondContact OD1-OG1 3.12Å; T540-A543 WeakPolarHBondContact O-CB 3.46Å; T540-A543 PolarHBondContact O-N 3.19Å; T540-L544 PolarHBondContact O-N 2.79Å; T540-R641 PolarHBondContact OG1-NH1 2.97Å; T540-R641 VanDerWaalsContact OG1-NH1 3.12Å; T540-I643 HydrophobicContact CG2-CD1 4.35Å; T540-I643 HydrophobicContact CG2-CG1 4.1Å; T540-I677 HydrophobicContact CG2-CD1 3.6Å
541	E	88.4	Confident	84.2	Confident	11 Å²	11	38.6 Å²	38.6	5%	0.051	22%	0.218	C	C	.	.	H	α-helix	trans	-71.4	-39.2	175.1	-54.7	-170.1	141.2	0	0	111.6	A518 T521 N538 K539 A543 L544 L545 K596	A518-E541 PolarHBondContact N-OE2 2.95Å; T521-E541 WeakPolarHBondContact CB-OE2 3.41Å; T521-E541 HydrophobicContact CG2-CB 3.63Å; T521-E541 PolarHBondContact OG1-OE2 2.83Å; N538-E541 HydrophobicContact CB-CB 4.24Å; N538-E541 HydrophobicContact CB-CG 3.75Å; N538-E541 WeakPolarHBondContact O-CB 3.34Å; N538-E541 PolarHBondContact O-N 3.31Å; K539-E541 VanDerWaalsContact C-N 3.32Å; E541-A543 PolarHBondContact O-N 2.7Å; E541-L544 WeakPolarHBondContact O-CB 3.21Å; E541-L544 PolarHBondContact O-N 3.24Å; E541-L544 VanDerWaalsContact O-N 3.11Å; E541-L545 WeakPolarHBondContact O-CG 3.37Å; E541-L545 PolarHBondContact O-N 2.85Å; E541-K596 VanDerWaalsContact CD-NZ 3.25Å; E541-K596 WeakPolarHBondContact OE1-CE 3.47Å; E541-K596 IonicContact OE1-NZ 3.99Å; E541-K596 PolarHBondContact OE1-NZ 2.83Å
542	C	88.3	Confident	85.6	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-36.5	171.8	-62	0	0	0	0	111.5	T521 I523 H535 V536 N538 K539 L544 L545 G546	T521-C542 HydrophobicContact CG2-CB 4.46Å; T521-C542 WeakPolarHBondContact CG2-SG 3.39Å; I523-C542 WeakPolarHBondContact CD1-O 3.34Å; H535-C542 HydrophobicContact CB-CB 3.92Å; H535-C542 WeakPolarHBondContact ND1-CB 3.31Å; V536-C542 PolarHBondContact O-SG 3.25Å; N538-C542 PolarHBondContact O-N 3.23Å; N538-C542 PolarHBondContact O-SG 3.34Å; K539-C542 PolarHBondContact O-N 3.43Å; C542-L544 VanDerWaalsContact C-N 3.33Å; C542-L544 PolarHBondContact O-N 3.08Å; C542-L545 PolarHBondContact O-N 3.39Å; C542-G546 PolarHBondContact O-N 3.2Å
543	A	90.8	Very high	86.7	Confident	1 Å²	1	44 Å²	44	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-40.5	174.8	0	0	0	0	0	112.1	M480 V482 K539 T540 E541 G546 L547 I677	M480-A543 HydrophobicContact CB-CB 3.83Å; M480-A543 WeakPolarHBondContact O-CA 3.42Å; M480-A543 WeakPolarHBondContact O-CB 3.4Å; V482-A543 HydrophobicContact CG2-CB 4.49Å; K539-A543 PolarHBondContact O-N 3.46Å; T540-A543 WeakPolarHBondContact O-CB 3.46Å; T540-A543 PolarHBondContact O-N 3.19Å; E541-A543 PolarHBondContact O-N 2.7Å; A543-G546 PolarHBondContact O-N 2.82Å; A543-L547 PolarHBondContact O-N 2.71Å; A543-I677 HydrophobicContact CB-CD1 4.27Å; A543-I677 HydrophobicContact CB-CG2 3.74Å
544	L	94.2	Very high	87.2	Confident	2 Å²	2	46 Å²	46	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-68.7	-43.5	176.6	-63.8	172.9	0	0	0	111.6	V482 I513 T540 E541 C542 G546 L547 V548 K596 V675 I677	V482-L544 HydrophobicContact CG2-CD2 4.34Å; I513-L544 HydrophobicContact CD1-CB 4.42Å; I513-L544 HydrophobicContact CG1-CB 4.39Å; I513-L544 HydrophobicContact CG2-CB 3.64Å; I513-L544 WeakPolarHBondContact CG2-O 3.32Å; T540-L544 PolarHBondContact O-N 2.79Å; E541-L544 WeakPolarHBondContact O-CB 3.21Å; E541-L544 PolarHBondContact O-N 3.24Å; E541-L544 VanDerWaalsContact O-N 3.11Å; C542-L544 VanDerWaalsContact C-N 3.33Å; C542-L544 PolarHBondContact O-N 3.08Å; L544-G546 PolarHBondContact O-N 3.4Å; L544-L547 WeakPolarHBondContact O-CB 3.44Å; L544-L547 PolarHBondContact O-N 2.75Å; L544-V548 PolarHBondContact O-N 2.87Å; L544-K596 HydrophobicContact CD1-CD 3.94Å; L544-V675 HydrophobicContact CD2-CG2 3.66Å; L544-I677 HydrophobicContact CD2-CD1 4.32Å
545	L	94.5	Very high	87.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-34.2	172.5	-66.8	173.5	0	0	0	111.3	I513 T521 I523 E541 C542 V548 L549 Y555	I513-L545 HydrophobicContact CG2-CD2 4.14Å; T521-L545 HydrophobicContact CG2-CD1 3.82Å; I523-L545 HydrophobicContact CD1-CB 3.88Å; I523-L545 HydrophobicContact CG1-CB 4.35Å; E541-L545 WeakPolarHBondContact O-CG 3.37Å; E541-L545 PolarHBondContact O-N 2.85Å; C542-L545 PolarHBondContact O-N 3.39Å; L545-V548 WeakPolarHBondContact O-CB 3.48Å; L545-V548 PolarHBondContact O-N 2.98Å; L545-L549 PolarHBondContact O-N 2.89Å; L545-Y555 HydrophobicContact CB-CD1 4.12Å; L545-Y555 HydrophobicContact CB-CE1 4.03Å; L545-Y555 HydrophobicContact CD2-CD1 3.98Å; L545-Y555 HydrophobicContact CD2-CD2 4.1Å; L545-Y555 HydrophobicContact CD2-CE1 4.45Å; L545-Y555 HydrophobicContact CD2-CG 3.78Å
546	G	92.6	Very high	88.6	Confident	6 Å²	6	41.4 Å²	41.4	6%	0.062	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-43.1	173.6	0	0	0	0	0	111.5	I523 C542 A543 L544 V548 L549 D550	I523-G546 VanDerWaalsContact CD1-N 3.29Å; C542-G546 PolarHBondContact O-N 3.2Å; A543-G546 PolarHBondContact O-N 2.82Å; L544-G546 PolarHBondContact O-N 3.4Å; G546-V548 VanDerWaalsContact C-N 3.27Å; G546-V548 PolarHBondContact O-N 3.04Å; G546-L549 WeakPolarHBondContact O-CB 3.3Å; G546-L549 PolarHBondContact O-N 2.69Å; G546-L549 VanDerWaalsContact O-N 3.1Å; G546-D550 VanDerWaalsContact O-CG 3.27Å; G546-D550 PolarHBondContact O-N 3.21Å
547	L	94.8	Very high	89.4	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-57.9	-38.6	173	177.3	67.3	0	0	0	112.3	V482 V495 I513 A543 L544 L549 D550 L551 V675	V482-L547 HydrophobicContact CB-CB 4.11Å; V482-L547 HydrophobicContact CB-CD1 4.2Å; V482-L547 HydrophobicContact CB-CD2 4.46Å; V482-L547 HydrophobicContact CB-CG 4.49Å; V482-L547 HydrophobicContact CG1-CD1 3.98Å; V482-L547 HydrophobicContact CG1-CD2 4.15Å; V482-L547 HydrophobicContact CG1-CG 4.48Å; V482-L547 HydrophobicContact CG2-CB 3.93Å; V482-L547 HydrophobicContact CG2-CD2 4.21Å; V495-L547 HydrophobicContact CG1-CD1 3.69Å; V495-L547 HydrophobicContact CG2-CD1 4.11Å; I513-L547 HydrophobicContact CD1-CD2 4.19Å; A543-L547 PolarHBondContact O-N 2.71Å; L544-L547 WeakPolarHBondContact O-CB 3.44Å; L544-L547 PolarHBondContact O-N 2.75Å; L547-L549 VanDerWaalsContact C-N 3.34Å; L547-D550 PolarHBondContact O-N 3.41Å; L547-L551 HydrophobicContact CD1-CD1 4.18Å; L547-L551 HydrophobicContact CD1-CG 4.26Å; L547-L551 HydrophobicContact CG-CD1 4.01Å; L547-L551 HydrophobicContact CG-CG 4.48Å; L547-L551 WeakPolarHBondContact O-CB 3.46Å; L547-L551 WeakPolarHBondContact O-CG 3.48Å; L547-L551 PolarHBondContact O-N 2.92Å; L547-V675 HydrophobicContact CD2-CG1 3.96Å
548	V	94.8	Very high	90.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.6	-43.1	176.1	173.8	0	0	0	0	111.1	V510 I513 L544 L545 G546 L551 R553	V510-V548 HydrophobicContact CG1-CG1 3.82Å; V510-V548 HydrophobicContact CG2-CG1 4.24Å; V510-V548 HydrophobicContact CG2-CG2 4.47Å; I513-V548 HydrophobicContact CB-CG2 3.94Å; I513-V548 HydrophobicContact CD1-CG2 4.1Å; I513-V548 HydrophobicContact CG2-CG2 3.7Å; L544-V548 PolarHBondContact O-N 2.87Å; L545-V548 WeakPolarHBondContact O-CB 3.48Å; L545-V548 PolarHBondContact O-N 2.98Å; G546-V548 VanDerWaalsContact C-N 3.27Å; G546-V548 PolarHBondContact O-N 3.04Å; V548-L551 CarbonylContact O-C 3.58Å; V548-L551 PolarHBondContact O-N 2.99Å; V548-R553 CarbonylContact C-O 3.54Å; V548-R553 HydrophobicContact CG1-CB 3.95Å; V548-R553 PolarHBondContact O-N 3.06Å; V548-R553 VanDerWaalsContact O-N 3.12Å; V548-R553 VanDerWaalsContact O-O 3.11Å
549	L	92.6	Very high	90.9	Very high	67 Å²	67	37.5 Å²	37.5	35%	0.351	18%	0.184	S	C	.	.	H	α-helix	trans	-66.4	-41.8	176	-62.8	177.9	0	0	0	112	I523 L545 G546 L547 L551 K552 Y555	I523-L549 HydrophobicContact CB-CD1 4.28Å; I523-L549 HydrophobicContact CD1-CD1 3.75Å; I523-L549 HydrophobicContact CG2-CD1 4.18Å; L545-L549 PolarHBondContact O-N 2.89Å; G546-L549 WeakPolarHBondContact O-CB 3.3Å; G546-L549 PolarHBondContact O-N 2.69Å; G546-L549 VanDerWaalsContact O-N 3.1Å; L547-L549 VanDerWaalsContact C-N 3.34Å; L549-L551 PolarHBondContact O-N 3.15Å; L549-K552 WeakPolarHBondContact O-CA 3.38Å; L549-K552 PolarHBondContact O-N 2.8Å; L549-Y555 HydrophobicContact CD1-CE1 4.11Å; L549-Y555 HydrophobicContact CD2-CD1 4.08Å; L549-Y555 HydrophobicContact CD2-CE1 4.06Å; L549-Y555 HydrophobicContact CG-CD1 4.24Å; L549-Y555 HydrophobicContact CG-CE1 4.08Å
550	D	91.3	Very high	91.3	Very high	92 Å²	92	38.3 Å²	38.3	49%	0.492	19%	0.192	S	C	.	.	H	α-helix	trans	-64.4	-31.1	177	-67	-21.2	0	0	0	111.3	V495 G546 L547 K552	V495-D550 HydrophobicContact CG1-CB 4.27Å; G546-D550 VanDerWaalsContact O-CG 3.27Å; G546-D550 PolarHBondContact O-N 3.21Å; L547-D550 PolarHBondContact O-N 3.41Å; D550-K552 PolarHBondContact O-N 3.07Å
551	L	93	Very high	91.5	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	15.2	169.4	-67.7	171.8	0	0	0	113.4	V495 P496 P498 I501 L506 L509 L547 V548 L549 R553	V495-L551 HydrophobicContact CG1-CD2 4.44Å; P496-L551 WeakPolarHBondContact O-CD2 3.2Å; P498-L551 WeakPolarHBondContact CG-O 3.35Å; I501-L551 HydrophobicContact CD1-CD1 4.4Å; I501-L551 HydrophobicContact CD1-CD2 3.77Å; L506-L551 HydrophobicContact CD1-CB 4.24Å; L506-L551 HydrophobicContact CD1-CD1 3.83Å; L506-L551 HydrophobicContact CD1-CG 4.43Å; L509-L551 HydrophobicContact CD2-CD1 4.3Å; L547-L551 HydrophobicContact CD1-CD1 4.18Å; L547-L551 HydrophobicContact CD1-CG 4.26Å; L547-L551 HydrophobicContact CG-CD1 4.01Å; L547-L551 HydrophobicContact CG-CG 4.48Å; L547-L551 WeakPolarHBondContact O-CB 3.46Å; L547-L551 WeakPolarHBondContact O-CG 3.48Å; L547-L551 PolarHBondContact O-N 2.92Å; V548-L551 CarbonylContact O-C 3.58Å; V548-L551 PolarHBondContact O-N 2.99Å; L549-L551 PolarHBondContact O-N 3.15Å; L551-R553 PolarHBondContact O-N 3.38Å
552	K	92.9	Very high	91.4	Very high	142 Å²	142	44.9 Å²	44.9	62%	0.617	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	31.7	175.7	-50.8	179.5	-170.3	163.9	0	113.7	E497 P498 L549 D550	E497-K552 IonicContact OE1-NZ 3.22Å; E497-K552 VanDerWaalsContact OE2-CE 3.29Å; E497-K552 WeakPolarHBondContact OE2-CE 3.46Å; E497-K552 IonicContact OE2-NZ 3.1Å; E497-K552 PolarHBondContact OE2-NZ 3.11Å; P498-K552 HydrophobicContact CG-CB 4.11Å; P498-K552 HydrophobicContact CG-CD 4.08Å; P498-K552 HydrophobicContact CG-CG 4.02Å; L549-K552 WeakPolarHBondContact O-CA 3.38Å; L549-K552 PolarHBondContact O-N 2.8Å; D550-K552 PolarHBondContact O-N 3.07Å
553	R	92.9	Very high	90.9	Very high	112 Å²	112	46.6 Å²	46.6	42%	0.423	23%	0.233	S	C	.	.			trans	-116.9	152.8	173.9	-64.7	-62.1	-159.4	176.8	10.5	110.3	D507 V510 V548 L551	D507-R553 IonicContact OD1-NH2 3.34Å; D507-R553 PolarHBondContact OD1-NH2 3.17Å; V510-R553 HydrophobicContact CG1-CB 4.28Å; V510-R553 HydrophobicContact CG2-CB 4.15Å; V510-R553 HydrophobicContact CG2-CG 4.07Å; V548-R553 CarbonylContact C-O 3.54Å; V548-R553 HydrophobicContact CG1-CB 3.95Å; V548-R553 PolarHBondContact O-N 3.06Å; V548-R553 VanDerWaalsContact O-N 3.12Å; V548-R553 VanDerWaalsContact O-O 3.11Å; L551-R553 PolarHBondContact O-N 3.38Å
554	D	91.4	Very high	90.2	Very high	87 Å²	87	52.7 Å²	52.7	47%	0.465	26%	0.262	S	S	.	.			trans	-104.8	129.5	175.7	-166.9	-8.3	0	0	0	110.2	Q556 P557	D554-Q556 WeakPolarHBondContact OD1-CB 3.49Å; D554-Q556 PolarHBondContact OD1-N 2.77Å; D554-P557 HydrophobicContact CB-CG 4.29Å; D554-P557 VanDerWaalsContact CG-CD 3.42Å
555	Y	92.6	Very high	89.2	Confident	11 Å²	11	61.4 Å²	61.4	4%	0.043	30%	0.302	C	S	.	.	S	Bend	trans	-85.7	-19.8	178	63.9	-103.5	0	0	0	112.6	S514 I523 L545 L549 I558 R559	S514-Y555 VanDerWaalsContact OG-CB 3.25Å; S514-Y555 WeakPolarHBondContact OG-CB 3.33Å; I523-Y555 PolarHBondContact N-OH 3.16Å; I523-Y555 PolarHBondContact O-OH 3.48Å; L545-Y555 HydrophobicContact CB-CD1 4.12Å; L545-Y555 HydrophobicContact CB-CE1 4.03Å; L545-Y555 HydrophobicContact CD2-CD1 3.98Å; L545-Y555 HydrophobicContact CD2-CD2 4.1Å; L545-Y555 HydrophobicContact CD2-CE1 4.45Å; L545-Y555 HydrophobicContact CD2-CG 3.78Å; L549-Y555 HydrophobicContact CD1-CE1 4.11Å; L549-Y555 HydrophobicContact CD2-CD1 4.08Å; L549-Y555 HydrophobicContact CD2-CE1 4.06Å; L549-Y555 HydrophobicContact CG-CD1 4.24Å; L549-Y555 HydrophobicContact CG-CE1 4.08Å; Y555-I558 PolarHBondContact O-N 3.43Å; Y555-R559 PolarHBondContact O-N 2.74Å
556	Q	90	Very high	88.6	Confident	50 Å²	50	67.6 Å²	67.6	23%	0.234	33%	0.329	C	S	.	.	H	α-helix	trans	-66.9	-44.5	-173.7	-169	61.6	46.7	0	0	112.6	D554 I558 R559 D560	D554-Q556 WeakPolarHBondContact OD1-CB 3.49Å; D554-Q556 PolarHBondContact OD1-N 2.77Å; Q556-I558 VanDerWaalsContact C-N 3.28Å; Q556-I558 PolarHBondContact O-N 2.92Å; Q556-R559 WeakPolarHBondContact O-CB 3.45Å; Q556-R559 PolarHBondContact O-N 2.76Å; Q556-R559 VanDerWaalsContact O-N 3.08Å; Q556-D560 PolarHBondContact NE2-OD1 3.28Å; Q556-D560 PolarHBondContact O-N 3.2Å
557	P	92.4	Very high	88.1	Confident	72 Å²	72	69 Å²	69	47%	0.468	33%	0.334	S	S	.	.	H	α-helix	trans	-58.8	-37.1	176.9	-25.6	35.3	0	0	0	113.6	D554 R559 D560 E561	D554-P557 HydrophobicContact CB-CG 4.29Å; D554-P557 VanDerWaalsContact CG-CD 3.42Å; P557-R559 VanDerWaalsContact C-N 3.33Å; P557-R559 PolarHBondContact O-N 2.84Å; P557-D560 PolarHBondContact O-N 3.08Å; P557-E561 PolarHBondContact O-N 2.97Å
558	I	90.3	Very high	87.7	Confident	24 Å²	24	73.7 Å²	73.7	12%	0.123	35%	0.353	C	S	.	.	H	α-helix	trans	-65.9	-39.5	178.2	-62.4	166.2	0	0	0	110.5	V510 V515 Y555 Q556 E561 I562	V510-I558 HydrophobicContact CG1-CD1 3.53Å; V515-I558 HydrophobicContact CG2-CG2 4.22Å; Y555-I558 PolarHBondContact O-N 3.43Å; Q556-I558 VanDerWaalsContact C-N 3.28Å; Q556-I558 PolarHBondContact O-N 2.92Å; I558-E561 PolarHBondContact O-N 3.25Å; I558-I562 HydrophobicContact CG2-CD1 4.39Å; I558-I562 WeakPolarHBondContact O-CB 3.18Å; I558-I562 PolarHBondContact O-N 2.83Å
559	R	87.4	Confident	87.3	Confident	5 Å²	5	76.4 Å²	76.4	2%	0.019	37%	0.365	C	S	.	.	H	α-helix	trans	-71.6	-31.6	176.7	-75.7	-178	171.6	-169.1	-15.8	112.8	S514 S517 A518 Y519 T521 Y555 Q556 P557 I562	S514-R559 PolarHBondContact O-NE 2.84Å; S517-R559 PolarHBondContact O-NH2 3.24Å; A518-R559 PolarHBondContact O-NH2 2.83Å; Y519-R559 HydrophobicContact CE2-CB 3.85Å; Y519-R559 HydrophobicContact CE2-CG 4.36Å; T521-R559 PolarHBondContact O-NH1 2.7Å; Y555-R559 PolarHBondContact O-N 2.74Å; Q556-R559 WeakPolarHBondContact O-CB 3.45Å; Q556-R559 PolarHBondContact O-N 2.76Å; Q556-R559 VanDerWaalsContact O-N 3.08Å; P557-R559 VanDerWaalsContact C-N 3.33Å; P557-R559 PolarHBondContact O-N 2.84Å; R559-I562 CarbonylContact O-C 3.52Å; R559-I562 VanDerWaalsContact O-O 3.11Å
560	D	87.4	Confident	86.8	Confident	98 Å²	98	76.3 Å²	76.3	52%	0.524	37%	0.367	S	S	.	.	H	α-helix	trans	-71.7	-35.8	174.6	-61.2	-21.2	0	0	0	110.9	Q556 P557	Q556-D560 PolarHBondContact NE2-OD1 3.28Å; Q556-D560 PolarHBondContact O-N 3.2Å; P557-D560 PolarHBondContact O-N 3.08Å
561	E	88.4	Confident	86.4	Confident	135 Å²	135	72.3 Å²	72.3	63%	0.631	35%	0.345	S	S	*	.	H	α-helix	trans	-71.5	-36.7	173.6	-171.8	177.7	-179.6	0	0	112.4	P557 I558 P563 K566	P557-E561 PolarHBondContact O-N 2.97Å; I558-E561 PolarHBondContact O-N 3.25Å; E561-P563 VanDerWaalsContact C-CD 3.43Å; E561-P563 VanDerWaalsContact O-CD 3.24Å; E561-P563 WeakPolarHBondContact O-CD 3.45Å; E561-K566 PolarHBondContact O-NZ 2.91Å
562	I	86.5	Confident	85.9	Confident	35 Å²	35	76.3 Å²	76.3	18%	0.179	37%	0.37	C	S	.	.	S	Bend	trans	-117.6	75.2	-179.2	-49.3	173.3	0	0	0	109.5	V515 I558 R559 K566 L584	V515-I562 HydrophobicContact CG2-CD1 4.03Å; I558-I562 HydrophobicContact CG2-CD1 4.39Å; I558-I562 WeakPolarHBondContact O-CB 3.18Å; I558-I562 PolarHBondContact O-N 2.83Å; R559-I562 CarbonylContact O-C 3.52Å; R559-I562 VanDerWaalsContact O-O 3.11Å; I562-K566 HydrophobicContact CG2-CB 4.29Å; I562-L584 HydrophobicContact CD1-CD1 3.93Å; I562-L584 HydrophobicContact CG2-CD1 4.26Å; I562-L584 HydrophobicContact CG2-CD2 3.7Å
563	P	78.7	Confident	85.2	Confident	36 Å²	36	75.2 Å²	75.2	23%	0.234	37%	0.365	C	S	.	.			trans	-66.6	164.2	175.7	29	-35.9	0	0	0	111.2	E561 E565 K566	E561-P563 VanDerWaalsContact C-CD 3.43Å; E561-P563 VanDerWaalsContact O-CD 3.24Å; E561-P563 WeakPolarHBondContact O-CD 3.45Å; P563-E565 PolarHBondContact O-N 3.22Å; P563-E565 VanDerWaalsContact O-N 3.09Å; P563-K566 HydrophobicContact CG-CD 4.4Å; P563-K566 HydrophobicContact CG-CG 4.05Å; P563-K566 WeakPolarHBondContact O-CB 3.32Å; P563-K566 PolarHBondContact O-N 3.42Å
564	E	75.1	Confident	84.3	Confident	130 Å²	130	73.3 Å²	73.3	61%	0.607	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-53	-34.5	-179	-171	169.5	-169.9	0	0	112.8	K566 M567	E564-K566 VanDerWaalsContact C-N 3.25Å; E564-K566 PolarHBondContact O-N 3.49Å; E564-M567 WeakPolarHBondContact O-CB 3.36Å; E564-M567 PolarHBondContact O-N 3.38Å
565	E	74.1	Confident	83.1	Confident	185 Å²	185	73.4 Å²	73.4	86%	0.864	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-64.2	-23.5	176.7	-61.5	163.4	-169.4	0	0	114.1	P563	P563-E565 PolarHBondContact O-N 3.22Å; P563-E565 VanDerWaalsContact O-N 3.09Å
566	K	81.1	Confident	82.1	Confident	130 Å²	130	77.7 Å²	77.7	57%	0.565	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-86	-9.3	175.2	-73.4	-166.3	-168.4	167.5	0	112.9	E561 I562 P563 E564 Y568	E561-K566 PolarHBondContact O-NZ 2.91Å; I562-K566 HydrophobicContact CG2-CB 4.29Å; P563-K566 HydrophobicContact CG-CD 4.4Å; P563-K566 HydrophobicContact CG-CG 4.05Å; P563-K566 WeakPolarHBondContact O-CB 3.32Å; P563-K566 PolarHBondContact O-N 3.42Å; E564-K566 VanDerWaalsContact C-N 3.25Å; E564-K566 PolarHBondContact O-N 3.49Å; K566-Y568 PolarHBondContact O-N 2.67Å
567	M	82.8	Confident	81.5	Confident	34 Å²	34	76.8 Å²	76.8	17%	0.167	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	125.5	175.9	-60.2	-174.9	-177.6	0	0	109.2	E564 V570 T582 L584	E564-M567 WeakPolarHBondContact O-CB 3.36Å; E564-M567 PolarHBondContact O-N 3.38Å; M567-V570 HydrophobicContact CB-CG2 4.13Å; M567-V570 HydrophobicContact SD-CG2 3.87Å; M567-T582 HydrophobicContact CB-CG2 4.35Å; M567-T582 HydrophobicContact CG-CG2 4.06Å; M567-T582 HydrophobicContact SD-CG2 3.78Å; M567-L584 HydrophobicContact CG-CD2 4.36Å
568	Y	86.9	Confident	81.2	Confident	100 Å²	100	78 Å²	78	39%	0.392	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-48.7	-176.3	-171.9	-99.6	0	0	0	111.7	K566 V583 F591 E656 W659	K566-Y568 PolarHBondContact O-N 2.67Å; Y568-V583 WeakPolarHBondContact CB-O 3.32Å; Y568-V583 HydrophobicContact CD1-CG1 4.31Å; Y568-V583 PolarHBondContact N-O 3.35Å; Y568-F591 HydrophobicContact CD1-CD1 4.29Å; Y568-F591 AromaticContact CD1-CE1 3.97Å; Y568-F591 HydrophobicContact CD1-CE1 3.97Å; Y568-F591 HydrophobicContact CD2-CE1 4.07Å; Y568-F591 HydrophobicContact CE1-CE1 4.02Å; Y568-F591 HydrophobicContact CE2-CE1 4.12Å; Y568-F591 HydrophobicContact CG-CD1 4.35Å; Y568-F591 AromaticContact CG-CE1 4Å; Y568-F591 HydrophobicContact CG-CE1 4Å; Y568-E656 PolarHBondContact OH-OE1 3.07Å; Y568-W659 HydrophobicContact CD1-CZ2 4.3Å; Y568-W659 AromaticContact CE1-CD1 3.75Å; Y568-W659 HydrophobicContact CE1-CD2 4.36Å; Y568-W659 AromaticContact CE1-CE2 3.72Å; Y568-W659 HydrophobicContact CE1-CG 4.37Å; Y568-W659 HydrophobicContact CE1-CZ2 4.22Å; Y568-W659 AromaticContact CE1-NE1 3.3Å; Y568-W659 VanDerWaalsContact CE1-NE1 3.3Å
569	K	84.9	Confident	81.1	Confident	58 Å²	58	77 Å²	77	25%	0.252	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	139.9	175.6	-166.4	168.5	-172.2	169.6	0	110.1	Y571 V583 W659 D660	K569-Y571 HydrophobicContact CD-CE1 4.22Å; K569-Y571 HydrophobicContact CD-CE2 4.31Å; K569-Y571 HydrophobicContact CG-CE2 4.42Å; K569-V583 HydrophobicContact CB-CB 4.37Å; K569-V583 HydrophobicContact CB-CG2 4.4Å; K569-V583 PolarHBondContact O-N 3.06Å; K569-W659 HydrophobicContact CD-CB 3.67Å; K569-W659 HydrophobicContact CD-CG 4.24Å; K569-W659 VanDerWaalsContact NZ-C 3.28Å; K569-W659 VanDerWaalsContact NZ-CB 3.32Å; K569-W659 PolarHBondContact NZ-O 2.92Å; K569-D660 IonicContact NZ-OD1 2.64Å; K569-D660 PolarHBondContact NZ-OD1 3.26Å
570	V	82.7	Confident	81.2	Confident	65 Å²	65	78.1 Å²	78.1	39%	0.394	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	117.3	175.9	-177.5	0	0	0	0	109.4	M567 T572 T582	M567-V570 HydrophobicContact CB-CG2 4.13Å; M567-V570 HydrophobicContact SD-CG2 3.87Å; V570-T572 PolarHBondContact O-N 3.39Å; V570-T582 HydrophobicContact CG2-CG2 4.15Å
571	Y	83.4	Confident	81.4	Confident	7 Å²	7	73.5 Å²	73.5	3%	0.027	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	99.2	167.4	-61.1	-78	0	0	0	108.3	K569 M580 S581 V583 W659 E662 I665	K569-Y571 HydrophobicContact CD-CE1 4.22Å; K569-Y571 HydrophobicContact CD-CE2 4.31Å; K569-Y571 HydrophobicContact CG-CE2 4.42Å; Y571-M580 VanDerWaalsContact O-CA 3.3Å; Y571-M580 WeakPolarHBondContact O-CA 3.49Å; Y571-M580 WeakPolarHBondContact O-CG 3.5Å; Y571-S581 PolarHBondContact N-O 3.3Å; Y571-S581 PolarHBondContact O-N 3.47Å; Y571-V583 HydrophobicContact CE2-CG2 4.13Å; Y571-W659 PolarHBondContact OH-O 2.82Å; Y571-E662 HydrophobicContact CD1-CG 4.12Å; Y571-E662 WeakPolarHBondContact CD1-OE1 2.99Å; Y571-E662 HydrophobicContact CE1-CG 3.69Å; Y571-I665 HydrophobicContact CE2-CG2 4.41Å
572	T	81.1	Confident	81.5	Confident	87 Å²	87	67.2 Å²	67.2	53%	0.534	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	169.2	-179.4	54.1	0	0	0	0	112.4	V570 N574 R577	V570-T572 PolarHBondContact O-N 3.39Å; T572-N574 PolarHBondContact O-N 3.01Å; T572-R577 VanDerWaalsContact O-CZ 3.24Å; T572-R577 PolarHBondContact O-NE 3.09Å; T572-R577 VanDerWaalsContact O-NE 3.16Å; T572-R577 PolarHBondContact O-NH2 3.42Å
573	F	78.9	Confident	81.8	Confident	119 Å²	119	65.6 Å²	65.6	52%	0.522	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	132	174.3	179.2	-92.4	0	0	0	110.6	K578 M580	F573-K578 HydrophobicContact CE2-CB 4.4Å; F573-M580 HydrophobicContact CB-CE 4.36Å
574	N	74.2	Confident	82.4	Confident	72 Å²	72	64.6 Å²	64.6	39%	0.385	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.6	169.8	171.7	-11.4	0	0	0	109.4	T572 S576 R577 K578	T572-N574 PolarHBondContact O-N 3.01Å; N574-S576 PolarHBondContact O-N 3.22Å; N574-S576 PolarHBondContact OD1-N 3.45Å; N574-S576 PolarHBondContact OD1-OG 2.94Å; N574-R577 HydrophobicContact CB-CG 3.81Å; N574-R577 CarbonylContact O-C 3.56Å; N574-R577 VanDerWaalsContact O-CG 3.27Å; N574-R577 WeakPolarHBondContact O-CG 3.36Å; N574-R577 PolarHBondContact O-N 3.45Å; N574-R577 VanDerWaalsContact O-N 3.1Å; N574-K578 WeakPolarHBondContact O-CA 3.5Å; N574-K578 PolarHBondContact O-N 3.18Å
575	S	65.9	Low	83.1	Confident	89 Å²	89	66.3 Å²	66.3	62%	0.622	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.7	-174.7	-60.3	0	0	0	0	114.3	K578	S575-K578 VanDerWaalsContact O-CG 3.23Å; S575-K578 WeakPolarHBondContact O-CG 3.4Å
576	S	71.1	Confident	83.7	Confident	101 Å²	101	59.9 Å²	59.9	71%	0.706	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-40.4	174.9	64.1	0	0	0	0	111.8	N574	N574-S576 PolarHBondContact O-N 3.22Å; N574-S576 PolarHBondContact OD1-N 3.45Å; N574-S576 PolarHBondContact OD1-OG 2.94Å
577	R	78.3	Confident	83.8	Confident	30 Å²	30	59.1 Å²	59.1	11%	0.113	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-18	-179.8	68.9	178	169.3	-148	-4.9	114.8	T572 N574 S579 E662	T572-R577 VanDerWaalsContact O-CZ 3.24Å; T572-R577 PolarHBondContact O-NE 3.09Å; T572-R577 VanDerWaalsContact O-NE 3.16Å; T572-R577 PolarHBondContact O-NH2 3.42Å; N574-R577 HydrophobicContact CB-CG 3.81Å; N574-R577 CarbonylContact O-C 3.56Å; N574-R577 VanDerWaalsContact O-CG 3.27Å; N574-R577 WeakPolarHBondContact O-CG 3.36Å; N574-R577 PolarHBondContact O-N 3.45Å; N574-R577 VanDerWaalsContact O-N 3.1Å; R577-S579 PolarHBondContact NE-O 3.04Å; R577-S579 PolarHBondContact O-N 3.23Å; R577-S579 PolarHBondContact O-OG 3.21Å; R577-E662 IonicContact NH1-OE1 2.77Å; R577-E662 PolarHBondContact NH1-OE1 3.37Å; R577-E662 IonicContact NH1-OE2 3.67Å; R577-E662 PolarHBondContact NH1-OE2 2.93Å
578	K	85.4	Confident	83.8	Confident	99 Å²	99	63 Å²	63	43%	0.43	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.2	37.1	-176.1	-56.4	-169.7	-177.3	175.3	0	114.4	F573 N574 S575 G597 A598 I601	F573-K578 HydrophobicContact CE2-CB 4.4Å; N574-K578 WeakPolarHBondContact O-CA 3.5Å; N574-K578 PolarHBondContact O-N 3.18Å; S575-K578 VanDerWaalsContact O-CG 3.23Å; S575-K578 WeakPolarHBondContact O-CG 3.4Å; K578-G597 VanDerWaalsContact O-CA 3.27Å; K578-G597 WeakPolarHBondContact O-CA 3.32Å; K578-A598 HydrophobicContact CB-CB 4.13Å; K578-A598 PolarHBondContact O-N 3.34Å; K578-I601 HydrophobicContact CB-CD1 3.7Å; K578-I601 HydrophobicContact CD-CD1 3.66Å; K578-I601 HydrophobicContact CG-CD1 3.93Å
579	S	88.8	Confident	83.5	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	158.3	-177.9	46.7	0	0	0	0	111.1	R577 K596	R577-S579 PolarHBondContact NE-O 3.04Å; R577-S579 PolarHBondContact O-N 3.23Å; R577-S579 PolarHBondContact O-OG 3.21Å; S579-K596 CarbonylContact C-O 3.51Å; S579-K596 VanDerWaalsContact CA-O 3.24Å; S579-K596 WeakPolarHBondContact CA-O 3.49Å; S579-K596 WeakPolarHBondContact CB-O 3.45Å
580	M	89.1	Confident	83.8	Confident	27 Å²	27	56.9 Å²	56.9	13%	0.133	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	140.1	176.6	168.4	-173.5	-83	0	0	108.2	N516 Y571 F573 S595 K596	N516-M580 PolarHBondContact ND2-O 2.95Å; N516-M580 VanDerWaalsContact ND2-O 3.15Å; Y571-M580 VanDerWaalsContact O-CA 3.3Å; Y571-M580 WeakPolarHBondContact O-CA 3.49Å; Y571-M580 WeakPolarHBondContact O-CG 3.5Å; F573-M580 HydrophobicContact CB-CE 4.36Å; M580-S595 WeakPolarHBondContact O-CA 3.39Å; M580-K596 HydrophobicContact CB-CG 4.44Å; M580-K596 PolarHBondContact N-O 3.42Å; M580-K596 PolarHBondContact O-N 2.94Å
581	S	91.9	Very high	84.3	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.007	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	143	178.6	-46.2	0	0	0	0	112.2	Y571 Y594 S595 L666	Y571-S581 PolarHBondContact N-O 3.3Å; Y571-S581 PolarHBondContact O-N 3.47Å; S581-Y594 CarbonylContact C-O 3.15Å; S581-Y594 WeakPolarHBondContact CA-O 3.44Å; S581-Y594 VanDerWaalsContact CB-O 3.26Å; S581-Y594 WeakPolarHBondContact CB-O 3.4Å; S581-S595 WeakPolarHBondContact OG-CB 3.21Å; S581-S595 PolarHBondContact OG-OG 2.87Å; S581-L666 VanDerWaalsContact OG-CD2 3.24Å; S581-L666 WeakPolarHBondContact OG-CD2 3.43Å
582	T	91.6	Very high	84.7	Confident	4 Å²	4	57 Å²	57	3%	0.025	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.3	177.7	-63.7	0	0	0	0	109.4	V515 N516 M567 V570 M593 Y594	V515-T582 HydrophobicContact CG1-CG2 3.74Å; N516-T582 PolarHBondContact OD1-N 3.16Å; N516-T582 PolarHBondContact OD1-OG1 3.49Å; M567-T582 HydrophobicContact CB-CG2 4.35Å; M567-T582 HydrophobicContact CG-CG2 4.06Å; M567-T582 HydrophobicContact SD-CG2 3.78Å; V570-T582 HydrophobicContact CG2-CG2 4.15Å; T582-M593 WeakPolarHBondContact O-CA 3.13Å; T582-Y594 PolarHBondContact N-O 3.43Å; T582-Y594 PolarHBondContact O-N 3.1Å
583	V	92.2	Very high	85.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130.4	-179.6	-175.4	0	0	0	0	109.8	Y568 K569 Y571 F591 M593 W659	Y568-V583 WeakPolarHBondContact CB-O 3.32Å; Y568-V583 HydrophobicContact CD1-CG1 4.31Å; Y568-V583 PolarHBondContact N-O 3.35Å; K569-V583 HydrophobicContact CB-CB 4.37Å; K569-V583 HydrophobicContact CB-CG2 4.4Å; K569-V583 PolarHBondContact O-N 3.06Å; Y571-V583 HydrophobicContact CE2-CG2 4.13Å; V583-F591 HydrophobicContact CG1-CB 4.16Å; V583-F591 HydrophobicContact CG1-CD1 4.21Å; V583-M593 HydrophobicContact CG2-CB 4.16Å; V583-M593 HydrophobicContact CG2-CG 3.93Å; V583-M593 HydrophobicContact CG2-SD 4.31Å; V583-W659 HydrophobicContact CB-CZ3 4.39Å; V583-W659 HydrophobicContact CG1-CH2 3.5Å; V583-W659 HydrophobicContact CG1-CZ2 4.13Å; V583-W659 HydrophobicContact CG1-CZ3 3.8Å; V583-W659 HydrophobicContact CG2-CE3 4.25Å; V583-W659 HydrophobicContact CG2-CH2 4.33Å; V583-W659 HydrophobicContact CG2-CZ3 3.73Å
584	L	91.9	Very high	86.2	Confident	16 Å²	16	47.7 Å²	47.7	8%	0.084	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	150.7	170.9	-60.9	-176.4	0	0	0	110.3	V515 I562 M567 F591 R592 Y594	V515-L584 HydrophobicContact CG1-CD1 3.92Å; V515-L584 HydrophobicContact CG1-CD2 3.97Å; V515-L584 HydrophobicContact CG1-CG 4.04Å; V515-L584 HydrophobicContact CG2-CD1 4.24Å; I562-L584 HydrophobicContact CD1-CD1 3.93Å; I562-L584 HydrophobicContact CG2-CD1 4.26Å; I562-L584 HydrophobicContact CG2-CD2 3.7Å; M567-L584 HydrophobicContact CG-CD2 4.36Å; L584-F591 CarbonylContact O-C 3.54Å; L584-F591 VanDerWaalsContact O-CA 3.26Å; L584-F591 WeakPolarHBondContact O-CA 3.49Å; L584-R592 PolarHBondContact N-O 2.86Å; L584-R592 PolarHBondContact O-N 3.43Å; L584-Y594 HydrophobicContact CD1-CE2 3.96Å
585	R	88.8	Confident	87.1	Confident	166 Å²	166	44.4 Å²	44.4	63%	0.626	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97	125.7	169.9	-168.8	176.5	-175.1	-168.2	1.3	109.1	F591	R585-F591 HydrophobicContact CB-CD1 4.02Å; R585-F591 HydrophobicContact CB-CE1 4.04Å; R585-F591 HydrophobicContact CG-CD1 4.09Å; R585-F591 HydrophobicContact CG-CE1 3.83Å; R585-F591 HydrophobicContact CG-CZ 4.43Å
586	N	86.4	Confident	88.5	Confident	49 Å²	49	41 Å²	41	26%	0.262	22%	0.223	S	C	.	.			trans	-81.4	161.9	178.1	-59	-15.5	0	0	0	110.9	D588 G589 G590	N586-D588 WeakPolarHBondContact CB-OD1 3.32Å; N586-D588 PolarHBondContact O-N 3.09Å; N586-G589 PolarHBondContact O-N 3.25Å; N586-G589 VanDerWaalsContact O-N 3.09Å; N586-G590 PolarHBondContact N-O 2.92Å
587	A	82.9	Confident	89.5	Confident	114 Å²	114	36.5 Å²	36.5	94%	0.942	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-30.2	-179.2	0	0	0	0	0	113.1	G589	A587-G589 PolarHBondContact O-N 2.93Å
588	D	82.9	Confident	90.1	Very high	117 Å²	117	35.9 Å²	35.9	63%	0.626	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-0.3	174.5	41.4	-61.2	0	0	0	113.7	N586 G590	N586-D588 WeakPolarHBondContact CB-OD1 3.32Å; N586-D588 PolarHBondContact O-N 3.09Å; D588-G590 VanDerWaalsContact C-N 3.29Å; D588-G590 PolarHBondContact O-N 3.27Å
589	G	81.9	Confident	90.4	Very high	27 Å²	27	31.2 Å²	31.2	28%	0.278	17%	0.174	S	C	.	.	S	Bend	trans	85.8	-7.9	177.4	0	0	0	0	0	114.7	N586 A587	N586-G589 PolarHBondContact O-N 3.25Å; N586-G589 VanDerWaalsContact O-N 3.09Å; A587-G589 PolarHBondContact O-N 2.93Å
590	G	90.3	Very high	90.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.01	19%	0.188	C	C	.	.			trans	-76.5	179.1	169.9	0	0	0	0	0	112.9	N586 D588 F650	N586-G590 PolarHBondContact N-O 2.92Å; D588-G590 VanDerWaalsContact C-N 3.29Å; D588-G590 PolarHBondContact O-N 3.27Å; G590-F650 CarbonylContact C-O 3.54Å; G590-F650 VanDerWaalsContact CA-O 3.31Å; G590-F650 WeakPolarHBondContact CA-O 3.3Å
591	F	92.5	Very high	90.3	Very high	13 Å²	13	34.8 Å²	34.8	6%	0.057	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	144.1	178.3	-56.1	-94.4	0	0	0	111.4	Y568 V583 L584 R585 F650 E656 W659	Y568-F591 HydrophobicContact CD1-CD1 4.29Å; Y568-F591 AromaticContact CD1-CE1 3.97Å; Y568-F591 HydrophobicContact CD1-CE1 3.97Å; Y568-F591 HydrophobicContact CD2-CE1 4.07Å; Y568-F591 HydrophobicContact CE1-CE1 4.02Å; Y568-F591 HydrophobicContact CE2-CE1 4.12Å; Y568-F591 HydrophobicContact CG-CD1 4.35Å; Y568-F591 AromaticContact CG-CE1 4Å; Y568-F591 HydrophobicContact CG-CE1 4Å; V583-F591 HydrophobicContact CG1-CB 4.16Å; V583-F591 HydrophobicContact CG1-CD1 4.21Å; L584-F591 CarbonylContact O-C 3.54Å; L584-F591 VanDerWaalsContact O-CA 3.26Å; L584-F591 WeakPolarHBondContact O-CA 3.49Å; R585-F591 HydrophobicContact CB-CD1 4.02Å; R585-F591 HydrophobicContact CB-CE1 4.04Å; R585-F591 HydrophobicContact CG-CD1 4.09Å; R585-F591 HydrophobicContact CG-CE1 3.83Å; R585-F591 HydrophobicContact CG-CZ 4.43Å; F591-F650 HydrophobicContact CB-CB 4.14Å; F591-F650 HydrophobicContact CB-CD2 4.33Å; F591-F650 PolarHBondContact N-O 2.94Å; F591-F650 PolarHBondContact O-N 2.9Å; F591-E656 HydrophobicContact CE2-CB 4.46Å; F591-E656 HydrophobicContact CE2-CG 4.11Å; F591-E656 HydrophobicContact CZ-CG 4.12Å; F591-W659 HydrophobicContact CB-CH2 4Å; F591-W659 HydrophobicContact CB-CZ2 4.21Å; F591-W659 HydrophobicContact CD1-CH2 4.36Å; F591-W659 AromaticContact CD1-CZ2 3.84Å; F591-W659 HydrophobicContact CD1-CZ2 3.84Å; F591-W659 AromaticContact CD2-CZ2 3.98Å; F591-W659 HydrophobicContact CD2-CZ2 3.98Å; F591-W659 HydrophobicContact CE1-CZ2 4.13Å; F591-W659 HydrophobicContact CE2-CZ2 4.27Å; F591-W659 HydrophobicContact CG-CH2 4.07Å; F591-W659 AromaticContact CG-CZ2 3.75Å; F591-W659 HydrophobicContact CG-CZ2 3.75Å; F591-W659 HydrophobicContact CZ-CZ2 4.34Å
592	R	93.2	Very high	90.3	Very high	62 Å²	62	34.8 Å²	34.8	23%	0.234	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.7	169.8	175.5	166.7	-75.1	-177.8	-5.1	109.6	L584 Y594 D649	L584-R592 PolarHBondContact N-O 2.86Å; L584-R592 PolarHBondContact O-N 3.43Å; R592-Y594 VanDerWaalsContact CD-CZ 3.44Å; R592-Y594 WeakPolarHBondContact CD-OH 3.39Å; R592-Y594 HydrophobicContact CG-CE1 4.16Å; R592-Y594 HydrophobicContact CG-CE2 4.21Å; R592-D649 WeakPolarHBondContact CG-OD1 3.12Å; R592-D649 IonicContact CZ-OD1 3.31Å; R592-D649 VanDerWaalsContact CZ-OD1 3.31Å; R592-D649 IonicContact CZ-OD2 3.72Å; R592-D649 IonicContact NE-OD1 2.65Å; R592-D649 PolarHBondContact NE-OD1 3.32Å; R592-D649 IonicContact NE-OD2 3.82Å; R592-D649 VanDerWaalsContact NH2-CG 3.33Å; R592-D649 IonicContact NH2-OD1 3.12Å; R592-D649 PolarHBondContact NH2-OD1 3.5Å; R592-D649 VanDerWaalsContact NH2-OD1 3.12Å; R592-D649 IonicContact NH2-OD2 2.8Å; R592-D649 PolarHBondContact NH2-OD2 2.74Å
593	M	93.9	Very high	90.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.5	174.7	-177.2	180	66.7	0	0	110	T582 V583 Y647 R648 F650 I665 L666 L669	T582-M593 WeakPolarHBondContact O-CA 3.13Å; V583-M593 HydrophobicContact CG2-CB 4.16Å; V583-M593 HydrophobicContact CG2-CG 3.93Å; V583-M593 HydrophobicContact CG2-SD 4.31Å; M593-Y647 CarbonylContact O-C 3.58Å; M593-Y647 WeakPolarHBondContact O-CA 3.37Å; M593-Y647 WeakPolarHBondContact O-CB 3.46Å; M593-R648 HydrophobicContact CE-CB 4.27Å; M593-R648 PolarHBondContact N-O 3.04Å; M593-R648 PolarHBondContact O-N 3.21Å; M593-F650 HydrophobicContact CB-CE2 3.91Å; M593-F650 HydrophobicContact CE-CE2 4.49Å; M593-I665 HydrophobicContact CE-CG2 4.11Å; M593-I665 WeakPolarHBondContact CE-O 3.33Å; M593-I665 HydrophobicContact SD-CG2 3.66Å; M593-L666 HydrophobicContact CE-CD2 4.11Å; M593-L666 HydrophobicContact SD-CD2 4.06Å; M593-L669 HydrophobicContact CE-CD2 3.55Å
594	Y	96.1	Very high	90.3	Very high	11 Å²	11	43.3 Å²	43.3	4%	0.043	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	139.8	168.3	-64	-65.4	0	0	0	109.6	S512 V515 N516 S581 T582 L584 R592	S512-Y594 VanDerWaalsContact CA-CD1 3.48Å; S512-Y594 WeakPolarHBondContact OG-CD1 3.43Å; V515-Y594 HydrophobicContact CB-CD2 4.16Å; V515-Y594 HydrophobicContact CB-CE2 4.4Å; V515-Y594 HydrophobicContact CG1-CD2 4.09Å; V515-Y594 HydrophobicContact CG1-CE2 4.48Å; N516-Y594 PolarHBondContact ND2-O 3.5Å; S581-Y594 CarbonylContact C-O 3.15Å; S581-Y594 WeakPolarHBondContact CA-O 3.44Å; S581-Y594 VanDerWaalsContact CB-O 3.26Å; S581-Y594 WeakPolarHBondContact CB-O 3.4Å; T582-Y594 PolarHBondContact N-O 3.43Å; T582-Y594 PolarHBondContact O-N 3.1Å; L584-Y594 HydrophobicContact CD1-CE2 3.96Å; R592-Y594 VanDerWaalsContact CD-CZ 3.44Å; R592-Y594 WeakPolarHBondContact CD-OH 3.39Å; R592-Y594 HydrophobicContact CG-CE1 4.16Å; R592-Y594 HydrophobicContact CG-CE2 4.21Å
595	S	94.9	Very high	90.3	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.014	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	142.7	-178.3	-162.6	0	0	0	0	111.2	N516 M580 S581 A646	N516-S595 VanDerWaalsContact ND2-CA 3.26Å; N516-S595 WeakPolarHBondContact ND2-CA 3.43Å; N516-S595 PolarHBondContact ND2-N 2.79Å; M580-S595 WeakPolarHBondContact O-CA 3.39Å; S581-S595 WeakPolarHBondContact OG-CB 3.21Å; S581-S595 PolarHBondContact OG-OG 2.87Å; S595-A646 PolarHBondContact N-O 2.95Å; S595-A646 PolarHBondContact O-N 3.28Å; S595-A646 VanDerWaalsContact O-O 3.1Å
596	K	94.9	Very high	90.6	Very high	18 Å²	18	36.9 Å²	36.9	8%	0.078	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	147.2	173.7	75.1	-175.7	179.1	-168.6	0	110.1	N516 S517 E541 L544 S579 M580 C644	N516-K596 PolarHBondContact ND2-N 3.02Å; N516-K596 VanDerWaalsContact O-CD 3.26Å; N516-K596 WeakPolarHBondContact O-CD 3.26Å; N516-K596 WeakPolarHBondContact O-CE 3.35Å; N516-K596 PolarHBondContact O-NZ 3.4Å; S517-K596 PolarHBondContact OG-NZ 2.86Å; S517-K596 VanDerWaalsContact OG-NZ 3.12Å; E541-K596 VanDerWaalsContact CD-NZ 3.25Å; E541-K596 WeakPolarHBondContact OE1-CE 3.47Å; E541-K596 IonicContact OE1-NZ 3.99Å; E541-K596 PolarHBondContact OE1-NZ 2.83Å; L544-K596 HydrophobicContact CD1-CD 3.94Å; S579-K596 CarbonylContact C-O 3.51Å; S579-K596 VanDerWaalsContact CA-O 3.24Å; S579-K596 WeakPolarHBondContact CA-O 3.49Å; S579-K596 WeakPolarHBondContact CB-O 3.45Å; M580-K596 HydrophobicContact CB-CG 4.44Å; M580-K596 PolarHBondContact N-O 3.42Å; M580-K596 PolarHBondContact O-N 2.94Å; K596-C644 WeakPolarHBondContact CA-O 3.43Å
597	G	92.3	Very high	91	Very high	7 Å²	7	36.2 Å²	36.2	7%	0.072	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.2	-171.5	179.1	0	0	0	0	0	113.3	K578 S599 I643 C644	K578-G597 VanDerWaalsContact O-CA 3.27Å; K578-G597 WeakPolarHBondContact O-CA 3.32Å; G597-S599 PolarHBondContact O-N 3.01Å; G597-I643 WeakPolarHBondContact O-CA 3.46Å; G597-C644 PolarHBondContact N-O 3.11Å; G597-C644 PolarHBondContact O-N 3.43Å
598	A	89.3	Confident	91.5	Very high	17 Å²	17	37.1 Å²	37.1	14%	0.14	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	128.2	175.7	0	0	0	0	0	110.2	K578 E600 I601 V602	K578-A598 HydrophobicContact CB-CB 4.13Å; K578-A598 PolarHBondContact O-N 3.34Å; A598-E600 VanDerWaalsContact C-N 3.34Å; A598-E600 PolarHBondContact O-N 3.3Å; A598-I601 HydrophobicContact CB-CB 4.42Å; A598-I601 HydrophobicContact CB-CD1 4.13Å; A598-I601 HydrophobicContact CB-CG1 4.42Å; A598-I601 PolarHBondContact O-N 3.07Å; A598-V602 PolarHBondContact O-N 3.13Å; A598-V602 VanDerWaalsContact O-N 3.07Å
599	S	92.2	Very high	92.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-51.9	-51	-168.6	57.7	0	0	0	0	112.5	G597 I601 V602 L603 I632 T642	G597-S599 PolarHBondContact O-N 3.01Å; S599-I601 VanDerWaalsContact C-N 3.27Å; S599-I601 PolarHBondContact O-N 3.3Å; S599-V602 PolarHBondContact O-N 3Å; S599-L603 VanDerWaalsContact O-CB 3.23Å; S599-L603 WeakPolarHBondContact O-CB 3.23Å; S599-L603 PolarHBondContact O-N 3.35Å; S599-I632 WeakPolarHBondContact OG-CG2 3.39Å; S599-T642 PolarHBondContact N-O 3.42Å; S599-T642 VanDerWaalsContact OG-CB 3.24Å; S599-T642 WeakPolarHBondContact OG-CB 3.34Å; S599-T642 PolarHBondContact OG-OG1 3.39Å
600	E	86.1	Confident	92.7	Very high	66 Å²	66	30.7 Å²	30.7	31%	0.308	14%	0.136	S	C	.	.	H	α-helix	trans	-67.2	-19.9	-177.4	70.9	-74.3	178.5	0	0	114.6	A598 R604	A598-E600 VanDerWaalsContact C-N 3.34Å; A598-E600 PolarHBondContact O-N 3.3Å; E600-R604 WeakPolarHBondContact O-CD 3.27Å; E600-R604 VanDerWaalsContact O-CG 3.29Å; E600-R604 WeakPolarHBondContact O-CG 3.28Å; E600-R604 PolarHBondContact O-NE 3.04Å
601	I	89.9	Confident	92.7	Very high	39 Å²	39	32.3 Å²	32.3	20%	0.2	14%	0.144	C	C	.	.	H	α-helix	trans	-89.4	-49.8	178	-68.6	172.1	0	0	0	109.9	K578 A598 S599 L603 R604	K578-I601 HydrophobicContact CB-CD1 3.7Å; K578-I601 HydrophobicContact CD-CD1 3.66Å; K578-I601 HydrophobicContact CG-CD1 3.93Å; A598-I601 HydrophobicContact CB-CB 4.42Å; A598-I601 HydrophobicContact CB-CD1 4.13Å; A598-I601 HydrophobicContact CB-CG1 4.42Å; A598-I601 PolarHBondContact O-N 3.07Å; S599-I601 VanDerWaalsContact C-N 3.27Å; S599-I601 PolarHBondContact O-N 3.3Å; I601-L603 VanDerWaalsContact C-N 3.33Å; I601-L603 PolarHBondContact O-N 2.97Å; I601-R604 PolarHBondContact O-N 3.36Å
602	V	92.4	Very high	92.5	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	17%	0.168	C	C	.	.	H	α-helix	trans	-67.4	-37.3	179.8	179.8	0	0	0	0	110.3	A598 S599 R604 K605 C606 C644 A646 L669	A598-V602 PolarHBondContact O-N 3.13Å; A598-V602 VanDerWaalsContact O-N 3.07Å; S599-V602 PolarHBondContact O-N 3Å; V602-R604 VanDerWaalsContact C-N 3.29Å; V602-R604 PolarHBondContact O-N 3.46Å; V602-K605 PolarHBondContact O-N 2.84Å; V602-C606 PolarHBondContact O-N 2.72Å; V602-C606 PolarHBondContact O-SG 2.96Å; V602-C644 HydrophobicContact CB-CB 3.95Å; V602-C644 HydrophobicContact CG1-CB 4.16Å; V602-A646 HydrophobicContact CG1-CB 3.91Å; V602-L669 HydrophobicContact CG1-CD1 3.98Å
603	L	92.4	Very high	92.2	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-58.7	-39.5	177	-129.9	89.6	0	0	0	112.5	S599 I601 K605 C606 F619 R624 M627 V628 I632 C644 V674	S599-L603 VanDerWaalsContact O-CB 3.23Å; S599-L603 WeakPolarHBondContact O-CB 3.23Å; S599-L603 PolarHBondContact O-N 3.35Å; I601-L603 VanDerWaalsContact C-N 3.33Å; I601-L603 PolarHBondContact O-N 2.97Å; L603-K605 PolarHBondContact O-N 3.33Å; L603-C606 WeakPolarHBondContact O-CB 3.43Å; L603-C606 PolarHBondContact O-N 3.46Å; L603-F619 HydrophobicContact CD2-CE1 3.96Å; L603-F619 HydrophobicContact CD2-CZ 3.91Å; L603-F619 HydrophobicContact CG-CE1 3.9Å; L603-F619 HydrophobicContact CG-CZ 4.31Å; L603-R624 HydrophobicContact CD2-CB 4.14Å; L603-R624 HydrophobicContact CD2-CG 4.44Å; L603-M627 HydrophobicContact CD1-SD 3.84Å; L603-M627 HydrophobicContact CD2-CB 4.19Å; L603-M627 HydrophobicContact CD2-CG 4.16Å; L603-M627 HydrophobicContact CD2-SD 3.88Å; L603-M627 HydrophobicContact CG-SD 4.38Å; L603-V628 HydrophobicContact CD2-CG2 4.23Å; L603-I632 HydrophobicContact CD1-CD1 4.33Å; L603-I632 HydrophobicContact CD2-CD1 4.3Å; L603-C644 HydrophobicContact CD1-CB 4.4Å; L603-V674 HydrophobicContact CD1-CG2 3.7Å
604	R	91.4	Very high	91.8	Very high	181 Å²	181	40.4 Å²	40.4	68%	0.683	20%	0.199	S	C	*	.	H	α-helix	trans	-62	-32.3	178.6	-74.6	177	-144.6	-170.5	-0.1	112	E600 I601 V602 C606 R624	E600-R604 WeakPolarHBondContact O-CD 3.27Å; E600-R604 VanDerWaalsContact O-CG 3.29Å; E600-R604 WeakPolarHBondContact O-CG 3.28Å; E600-R604 PolarHBondContact O-NE 3.04Å; I601-R604 PolarHBondContact O-N 3.36Å; V602-R604 VanDerWaalsContact C-N 3.29Å; V602-R604 PolarHBondContact O-N 3.46Å; R604-C606 VanDerWaalsContact C-N 3.34Å; R604-R624 PolarHBondContact O-NH1 3.42Å
605	K	92	Very high	91.6	Very high	46 Å²	46	45.6 Å²	45.6	20%	0.2	22%	0.224	C	C	.	.	H	α-helix	trans	-83.9	-8.3	178.3	-57.4	-170.3	-175.2	-171.2	0	113.2	V602 L603 L666 E668 L669	V602-K605 PolarHBondContact O-N 2.84Å; L603-K605 PolarHBondContact O-N 3.33Å; K605-L666 WeakPolarHBondContact CB-O 3.44Å; K605-L666 HydrophobicContact CD-CB 4.31Å; K605-L666 WeakPolarHBondContact CD-O 3.34Å; K605-E668 PolarHBondContact O-N 2.92Å; K605-L669 HydrophobicContact CB-CD1 4.04Å; K605-L669 HydrophobicContact CB-CG 4.45Å; K605-L669 PolarHBondContact O-N 2.71Å
606	C	94.1	Very high	91.4	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.007	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	126.7	176.8	-63.6	0	0	0	0	111.2	V602 L603 R604 F619 R624 L669 C671	V602-C606 PolarHBondContact O-N 2.72Å; V602-C606 PolarHBondContact O-SG 2.96Å; L603-C606 WeakPolarHBondContact O-CB 3.43Å; L603-C606 PolarHBondContact O-N 3.46Å; R604-C606 VanDerWaalsContact C-N 3.34Å; C606-F619 HydrophobicContact CB-CD1 4.07Å; C606-F619 HydrophobicContact CB-CE1 4.46Å; C606-R624 PolarHBondContact O-NE 2.88Å; C606-R624 PolarHBondContact O-NH1 3.29Å; C606-R624 PolarHBondContact O-NH2 3.48Å; C606-L669 CarbonylContact C-O 3.57Å; C606-L669 WeakPolarHBondContact CA-O 3.45Å; C606-L669 HydrophobicContact CB-CB 4.49Å; C606-C671 HydrophobicContact CB-CB 4.19Å
607	S	94.4	Very high	91.4	Very high	34 Å²	34	51.4 Å²	51.4	24%	0.238	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-16.7	172.1	62	0	0	0	0	112.6	F619 E668 L669	S607-F619 PolarHBondContact O-N 3.14Å; S607-E668 WeakPolarHBondContact OG-CA 3.4Å; S607-E668 PolarHBondContact OG-O 3.41Å; S607-L669 PolarHBondContact N-O 2.95Å
608	R	95.3	Very high	91.4	Very high	134 Å²	134	56 Å²	56	51%	0.506	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	161.9	-179.5	-58.7	177.9	-172.3	176.8	2.4	111.3	P616 R617 L669 T670 C671	R608-P616 HydrophobicContact CB-CB 4.39Å; R608-R617 CarbonylContact C-O 3.54Å; R608-R617 WeakPolarHBondContact CA-O 3.27Å; R608-R617 WeakPolarHBondContact CB-O 3.35Å; R608-L669 PolarHBondContact N-O 3.29Å; R608-T670 HydrophobicContact CB-CG2 3.96Å; R608-T670 CarbonylContact O-C 3.53Å; R608-T670 WeakPolarHBondContact O-CA 3.29Å; R608-C671 PolarHBondContact O-N 2.99Å
609	I	94.9	Very high	91.5	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.015	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	147.4	173.4	-174.5	168.7	0	0	0	109.7	Y486 P616 R617 F619 M627 C671	Y486-I609 HydrophobicContact CE1-CD1 4.14Å; I609-P616 WeakPolarHBondContact O-CA 3.31Å; I609-R617 HydrophobicContact CG2-CG 3.51Å; I609-R617 PolarHBondContact N-O 2.79Å; I609-R617 WeakPolarHBondContact O-CG 3.47Å; I609-R617 PolarHBondContact O-N 2.81Å; I609-F619 HydrophobicContact CB-CB 4.3Å; I609-F619 HydrophobicContact CB-CD1 4.4Å; I609-F619 HydrophobicContact CB-CD2 4.2Å; I609-F619 HydrophobicContact CB-CG 4.09Å; I609-F619 HydrophobicContact CD1-CE2 4.3Å; I609-F619 HydrophobicContact CD1-CZ 4.36Å; I609-F619 HydrophobicContact CG2-CB 4.09Å; I609-F619 HydrophobicContact CG2-CD2 3.79Å; I609-F619 HydrophobicContact CG2-CE2 4.41Å; I609-F619 HydrophobicContact CG2-CG 4.02Å; I609-M627 HydrophobicContact CD1-CE 3.43Å; I609-M627 VanDerWaalsContact CD1-CE 3.43Å; I609-C671 WeakPolarHBondContact CA-O 3.08Å; I609-C671 HydrophobicContact CB-CB 4.24Å; I609-C671 HydrophobicContact CG1-CB 4.06Å
610	L	93.9	Very high	91.5	Very high	5 Å²	5	62 Å²	62	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	126.1	173.4	-63.3	-179.6	0	0	0	111.2	T505 P616 Y647 T670 C671 I672	T505-L610 HydrophobicContact CG2-CD1 3.96Å; L610-P616 HydrophobicContact CD2-CB 4.48Å; L610-P616 HydrophobicContact CD2-CG 4.09Å; L610-Y647 HydrophobicContact CD1-CE1 4.32Å; L610-Y647 HydrophobicContact CD2-CE1 4.37Å; L610-Y647 HydrophobicContact CG-CE1 4.49Å; L610-T670 HydrophobicContact CD2-CG2 4.06Å; L610-T670 HydrophobicContact CG-CG2 4.22Å; L610-C671 PolarHBondContact N-O 3.41Å; L610-I672 HydrophobicContact CD1-CB 4.32Å; L610-I672 HydrophobicContact CD1-CG1 4.15Å; L610-I672 HydrophobicContact CD1-CG2 4.08Å
611	D	90.5	Very high	91.7	Very high	35 Å²	35	63.1 Å²	63.1	19%	0.187	31%	0.313	C	S	.	.			trans	-81	179.2	175	74.8	7.4	0	0	0	112.6	K613 G614 Q615 R617	D611-K613 PolarHBondContact O-N 3.48Å; D611-K613 VanDerWaalsContact O-N 3.13Å; D611-K613 VanDerWaalsContact OD1-CA 3.3Å; D611-K613 WeakPolarHBondContact OD1-CA 3.1Å; D611-K613 WeakPolarHBondContact OD1-CB 3.25Å; D611-K613 PolarHBondContact OD1-N 3.28Å; D611-G614 PolarHBondContact O-N 2.89Å; D611-G614 PolarHBondContact OD1-N 2.97Å; D611-Q615 PolarHBondContact N-O 3.43Å; D611-Q615 PolarHBondContact OD1-N 3.19Å; D611-R617 HydrophobicContact CB-CG 4.44Å
612	A	88.4	Confident	91.7	Very high	67 Å²	67	68.2 Å²	68.2	55%	0.554	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.8	177.8	0	0	0	0	0	114.4
613	K	87.2	Confident	91.5	Very high	160 Å²	160	70.5 Å²	70.5	70%	0.696	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	0.5	176.2	-62	-178.9	-179.8	179.1	0	112.3	N502 D611 Q615	N502-K613 PolarHBondContact ND2-O 3.14Å; D611-K613 PolarHBondContact O-N 3.48Å; D611-K613 VanDerWaalsContact O-N 3.13Å; D611-K613 VanDerWaalsContact OD1-CA 3.3Å; D611-K613 WeakPolarHBondContact OD1-CA 3.1Å; D611-K613 WeakPolarHBondContact OD1-CB 3.25Å; D611-K613 PolarHBondContact OD1-N 3.28Å; K613-Q615 VanDerWaalsContact C-N 3.32Å; K613-Q615 HydrophobicContact CB-CG 4.44Å
614	G	85.9	Confident	91.4	Very high	18 Å²	18	73 Å²	73	19%	0.186	36%	0.355	C	S	.	.	S	Bend	trans	75.8	16.7	-176.8	0	0	0	0	0	114.2	T505 D611	T505-G614 WeakPolarHBondContact OG1-CA 3.21Å; D611-G614 PolarHBondContact O-N 2.89Å; D611-G614 PolarHBondContact OD1-N 2.97Å
615	Q	90.7	Very high	91.3	Very high	120 Å²	120	69.1 Å²	69.1	56%	0.561	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-96.6	139.7	179.6	-64.3	-63.9	-31.9	0	0	111	D611 K613 R617	D611-Q615 PolarHBondContact N-O 3.43Å; D611-Q615 PolarHBondContact OD1-N 3.19Å; K613-Q615 VanDerWaalsContact C-N 3.32Å; K613-Q615 HydrophobicContact CB-CG 4.44Å; Q615-R617 PolarHBondContact O-N 3.12Å
616	P	91.9	Very high	91.2	Very high	55 Å²	55	70.5 Å²	70.5	36%	0.357	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	116.9	175.9	-15.4	29.1	0	0	0	111.2	R608 I609 L610 T670	R608-P616 HydrophobicContact CB-CB 4.39Å; I609-P616 WeakPolarHBondContact O-CA 3.31Å; L610-P616 HydrophobicContact CD2-CB 4.48Å; L610-P616 HydrophobicContact CD2-CG 4.09Å; P616-T670 HydrophobicContact CB-CG2 4.26Å
617	R	93.5	Very high	91	Very high	87 Å²	87	71 Å²	71	33%	0.328	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	151	170.9	69.7	179.5	-179.1	108.5	-0.5	111.5	D489 R608 I609 D611 Q615 F619	D489-R617 VanDerWaalsContact CG-NH2 3.3Å; D489-R617 IonicContact OD1-CZ 3.57Å; D489-R617 IonicContact OD1-NE 3.48Å; D489-R617 IonicContact OD1-NH2 2.69Å; D489-R617 PolarHBondContact OD1-NH2 3.46Å; D489-R617 IonicContact OD2-CZ 3.47Å; D489-R617 IonicContact OD2-NE 2.69Å; D489-R617 PolarHBondContact OD2-NE 3.05Å; D489-R617 VanDerWaalsContact OD2-NE 3.1Å; D489-R617 IonicContact OD2-NH2 3.29Å; D489-R617 PolarHBondContact OD2-NH2 3.37Å; R608-R617 CarbonylContact C-O 3.54Å; R608-R617 WeakPolarHBondContact CA-O 3.27Å; R608-R617 WeakPolarHBondContact CB-O 3.35Å; I609-R617 HydrophobicContact CG2-CG 3.51Å; I609-R617 PolarHBondContact N-O 2.79Å; I609-R617 WeakPolarHBondContact O-CG 3.47Å; I609-R617 PolarHBondContact O-N 2.81Å; D611-R617 HydrophobicContact CB-CG 4.44Å; Q615-R617 PolarHBondContact O-N 3.12Å; R617-F619 PolarHBondContact O-N 3.46Å
618	V	93.5	Very high	90.9	Very high	104 Å²	104	71.1 Å²	71.1	63%	0.63	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.2	131.4	177	178.5	0	0	0	0	109.7	K620	V618-K620 HydrophobicContact CG1-CG 4.23Å
619	F	91.8	Very high	90.6	Very high	2 Å²	2	71.9 Å²	71.9	1%	0.009	36%	0.364	C	S	.	.			trans	-114.2	94.4	-176.5	-166.7	-142.5	0	0	0	110.1	L603 C606 S607 I609 R617 D623 R624 M627	L603-F619 HydrophobicContact CD2-CE1 3.96Å; L603-F619 HydrophobicContact CD2-CZ 3.91Å; L603-F619 HydrophobicContact CG-CE1 3.9Å; L603-F619 HydrophobicContact CG-CZ 4.31Å; C606-F619 HydrophobicContact CB-CD1 4.07Å; C606-F619 HydrophobicContact CB-CE1 4.46Å; S607-F619 PolarHBondContact O-N 3.14Å; I609-F619 HydrophobicContact CB-CB 4.3Å; I609-F619 HydrophobicContact CB-CD1 4.4Å; I609-F619 HydrophobicContact CB-CD2 4.2Å; I609-F619 HydrophobicContact CB-CG 4.09Å; I609-F619 HydrophobicContact CD1-CE2 4.3Å; I609-F619 HydrophobicContact CD1-CZ 4.36Å; I609-F619 HydrophobicContact CG2-CB 4.09Å; I609-F619 HydrophobicContact CG2-CD2 3.79Å; I609-F619 HydrophobicContact CG2-CE2 4.41Å; I609-F619 HydrophobicContact CG2-CG 4.02Å; R617-F619 PolarHBondContact O-N 3.46Å; F619-D623 HydrophobicContact CD2-CB 3.56Å; F619-D623 HydrophobicContact CE2-CB 3.58Å; F619-R624 HydrophobicContact CD1-CG 3.59Å; F619-R624 HydrophobicContact CD2-CG 4.42Å; F619-R624 HydrophobicContact CE1-CB 4.31Å; F619-R624 HydrophobicContact CE1-CG 3.38Å; F619-R624 HydrophobicContact CE2-CG 4.2Å; F619-R624 HydrophobicContact CG-CG 4.12Å; F619-R624 HydrophobicContact CZ-CB 4.23Å; F619-R624 HydrophobicContact CZ-CG 3.69Å; F619-R624 PolarHBondContact O-NE 3.18Å; F619-R624 PolarHBondContact O-NH2 3.27Å; F619-M627 HydrophobicContact CE2-CE 4.32Å; F619-M627 HydrophobicContact CZ-CB 4.43Å; F619-M627 HydrophobicContact CZ-CE 4.04Å; F619-M627 HydrophobicContact CZ-SD 4Å
620	K	91.6	Very high	90.4	Very high	140 Å²	140	78.1 Å²	78.1	61%	0.609	39%	0.391	S	S	*	.			trans	-75.9	163	-174.7	-61.1	178.8	-178.7	176.5	0	110.7	V618 K622 D623 R624	V618-K620 HydrophobicContact CG1-CG 4.23Å; K620-K622 PolarHBondContact O-N 3.24Å; K620-D623 WeakPolarHBondContact CB-OD2 3.49Å; K620-D623 PolarHBondContact N-OD2 2.94Å; K620-D623 WeakPolarHBondContact O-CB 3.41Å; K620-D623 PolarHBondContact O-N 2.93Å; K620-R624 WeakPolarHBondContact O-CG 3.35Å; K620-R624 PolarHBondContact O-N 2.89Å; K620-R624 VanDerWaalsContact O-N 3.08Å
621	T	89.1	Confident	90.3	Very high	90 Å²	90	78.4 Å²	78.4	55%	0.552	39%	0.392	S	S	*	.	H	α-helix	trans	-55.4	-40.8	177.5	-42.9	0	0	0	0	112.1	D623 R624 D625	T621-D623 VanDerWaalsContact C-N 3.34Å; T621-D623 PolarHBondContact O-N 2.85Å; T621-R624 WeakPolarHBondContact O-CB 3.32Å; T621-R624 PolarHBondContact O-N 2.71Å; T621-D625 VanDerWaalsContact O-CG 3.29Å; T621-D625 PolarHBondContact O-N 3.2Å
622	K	90.3	Very high	90.3	Very high	146 Å²	146	77.1 Å²	77.1	64%	0.635	39%	0.386	S	S	*	.	H	α-helix	trans	-60.7	-40.4	176	-171.4	-178.9	175.9	-174.8	0	112.9	K620 R624 D625 E626	K620-K622 PolarHBondContact O-N 3.24Å; K622-R624 VanDerWaalsContact C-N 3.34Å; K622-D625 PolarHBondContact O-N 2.61Å; K622-E626 WeakPolarHBondContact CE-OE1 3.36Å; K622-E626 WeakPolarHBondContact O-CB 3.41Å; K622-E626 WeakPolarHBondContact O-CG 3.27Å; K622-E626 PolarHBondContact O-N 3.18Å
623	D	89.4	Confident	90.3	Very high	50 Å²	50	78.7 Å²	78.7	27%	0.267	38%	0.382	S	S	.	.	H	α-helix	trans	-68.3	-37.2	179.2	-52.6	-40.6	0	0	0	110.9	F619 K620 T621 E626 M627	F619-D623 HydrophobicContact CD2-CB 3.56Å; F619-D623 HydrophobicContact CE2-CB 3.58Å; K620-D623 WeakPolarHBondContact CB-OD2 3.49Å; K620-D623 PolarHBondContact N-OD2 2.94Å; K620-D623 WeakPolarHBondContact O-CB 3.41Å; K620-D623 PolarHBondContact O-N 2.93Å; T621-D623 VanDerWaalsContact C-N 3.34Å; T621-D623 PolarHBondContact O-N 2.85Å; D623-E626 PolarHBondContact O-N 3.31Å; D623-M627 WeakPolarHBondContact O-CB 3.48Å; D623-M627 PolarHBondContact O-N 2.98Å
624	R	89.8	Confident	90.5	Very high	54 Å²	54	73.5 Å²	73.5	20%	0.204	36%	0.364	C	S	.	.	H	α-helix	trans	-62.1	-48.7	173.8	-64.3	169.7	-140.8	-176.7	6.3	111	L603 R604 C606 F619 K620 T621 K622 E626 M627 V628	L603-R624 HydrophobicContact CD2-CB 4.14Å; L603-R624 HydrophobicContact CD2-CG 4.44Å; R604-R624 PolarHBondContact O-NH1 3.42Å; C606-R624 PolarHBondContact O-NE 2.88Å; C606-R624 PolarHBondContact O-NH1 3.29Å; C606-R624 PolarHBondContact O-NH2 3.48Å; F619-R624 HydrophobicContact CD1-CG 3.59Å; F619-R624 HydrophobicContact CD2-CG 4.42Å; F619-R624 HydrophobicContact CE1-CB 4.31Å; F619-R624 HydrophobicContact CE1-CG 3.38Å; F619-R624 HydrophobicContact CE2-CG 4.2Å; F619-R624 HydrophobicContact CG-CG 4.12Å; F619-R624 HydrophobicContact CZ-CB 4.23Å; F619-R624 HydrophobicContact CZ-CG 3.69Å; F619-R624 PolarHBondContact O-NE 3.18Å; F619-R624 PolarHBondContact O-NH2 3.27Å; K620-R624 WeakPolarHBondContact O-CG 3.35Å; K620-R624 PolarHBondContact O-N 2.89Å; K620-R624 VanDerWaalsContact O-N 3.08Å; T621-R624 WeakPolarHBondContact O-CB 3.32Å; T621-R624 PolarHBondContact O-N 2.71Å; K622-R624 VanDerWaalsContact C-N 3.34Å; R624-E626 VanDerWaalsContact C-N 3.34Å; R624-E626 PolarHBondContact O-N 3.03Å; R624-M627 PolarHBondContact O-N 2.88Å; R624-V628 WeakPolarHBondContact O-CG2 3.45Å; R624-V628 PolarHBondContact O-N 3.32Å
625	D	89	Confident	90.6	Very high	101 Å²	101	72.6 Å²	72.6	54%	0.54	36%	0.355	S	S	.	.	H	α-helix	trans	-64.9	-39.1	180	-64.9	-22.5	0	0	0	111.4	T621 K622 V628 K629	T621-D625 VanDerWaalsContact O-CG 3.29Å; T621-D625 PolarHBondContact O-N 3.2Å; K622-D625 PolarHBondContact O-N 2.61Å; D625-V628 PolarHBondContact O-N 3.04Å; D625-K629 WeakPolarHBondContact O-CB 3.46Å; D625-K629 PolarHBondContact O-N 3.32Å
626	E	90.4	Very high	90.2	Very high	75 Å²	75	69 Å²	69	35%	0.35	35%	0.345	S	S	.	.	H	α-helix	trans	-64.1	-40.6	173.4	-78.9	-165	-155.1	0	0	112.4	K622 D623 R624 K629 K630	K622-E626 WeakPolarHBondContact CE-OE1 3.36Å; K622-E626 WeakPolarHBondContact O-CB 3.41Å; K622-E626 WeakPolarHBondContact O-CG 3.27Å; K622-E626 PolarHBondContact O-N 3.18Å; D623-E626 PolarHBondContact O-N 3.31Å; R624-E626 VanDerWaalsContact C-N 3.34Å; R624-E626 PolarHBondContact O-N 3.03Å; E626-K629 PolarHBondContact O-N 3.45Å; E626-K630 VanDerWaalsContact O-CB 3.23Å; E626-K630 WeakPolarHBondContact O-CB 2.98Å; E626-K630 WeakPolarHBondContact O-CG 3.39Å; E626-K630 PolarHBondContact O-N 3.11Å; E626-K630 IonicContact OE2-NZ 3.66Å; E626-K630 PolarHBondContact OE2-NZ 2.85Å
627	M	90.5	Very high	89.7	Confident	10 Å²	10	70.4 Å²	70.4	5%	0.049	36%	0.356	C	S	.	.	H	α-helix	trans	-64.8	-41.4	175	179.3	172.3	-68.6	0	0	111.8	Y486 L603 I609 F619 D623 R624 K629 V631 I632 V674	Y486-M627 HydrophobicContact CD1-CE 3.74Å; Y486-M627 HydrophobicContact CE1-CE 3.25Å; Y486-M627 HydrophobicContact CE2-CE 4.41Å; L603-M627 HydrophobicContact CD1-SD 3.84Å; L603-M627 HydrophobicContact CD2-CB 4.19Å; L603-M627 HydrophobicContact CD2-CG 4.16Å; L603-M627 HydrophobicContact CD2-SD 3.88Å; L603-M627 HydrophobicContact CG-SD 4.38Å; I609-M627 HydrophobicContact CD1-CE 3.43Å; I609-M627 VanDerWaalsContact CD1-CE 3.43Å; F619-M627 HydrophobicContact CE2-CE 4.32Å; F619-M627 HydrophobicContact CZ-CB 4.43Å; F619-M627 HydrophobicContact CZ-CE 4.04Å; F619-M627 HydrophobicContact CZ-SD 4Å; D623-M627 WeakPolarHBondContact O-CB 3.48Å; D623-M627 PolarHBondContact O-N 2.98Å; R624-M627 PolarHBondContact O-N 2.88Å; M627-K629 VanDerWaalsContact C-N 3.34Å; M627-K629 PolarHBondContact O-N 3.09Å; M627-V631 HydrophobicContact CG-CB 4.4Å; M627-V631 HydrophobicContact CG-CG2 4.49Å; M627-V631 WeakPolarHBondContact O-CA 3.21Å; M627-V631 VanDerWaalsContact O-CB 3.32Å; M627-V631 WeakPolarHBondContact O-CB 3.26Å; M627-V631 PolarHBondContact O-N 2.92Å; M627-I632 PolarHBondContact O-N 3.35Å; M627-I632 VanDerWaalsContact O-N 3.15Å; M627-V674 HydrophobicContact SD-CG2 4.07Å
628	V	90.5	Very high	89.3	Confident	38 Å²	38	70 Å²	70	23%	0.23	36%	0.358	C	S	.	.	I	π-helix	trans	-58.2	-49.8	174.7	172.3	0	0	0	0	110	L603 R624 D625 I632 E633	L603-V628 HydrophobicContact CD2-CG2 4.23Å; R624-V628 WeakPolarHBondContact O-CG2 3.45Å; R624-V628 PolarHBondContact O-N 3.32Å; D625-V628 PolarHBondContact O-N 3.04Å; V628-I632 HydrophobicContact CG2-CD1 3.97Å; V628-I632 PolarHBondContact O-N 2.63Å; V628-E633 HydrophobicContact CG1-CG 4.42Å; V628-E633 WeakPolarHBondContact O-CB 3.5Å; V628-E633 PolarHBondContact O-N 2.67Å
629	K	90	Very high	88.6	Confident	149 Å²	149	65.7 Å²	65.7	65%	0.648	33%	0.334	S	S	*	.	I	π-helix	trans	-72.5	-38.8	-175.7	-168.7	175.4	-175.9	176.3	0	114.4	D625 E626 M627 P634	D625-K629 WeakPolarHBondContact O-CB 3.46Å; D625-K629 PolarHBondContact O-N 3.32Å; E626-K629 PolarHBondContact O-N 3.45Å; M627-K629 VanDerWaalsContact C-N 3.34Å; M627-K629 PolarHBondContact O-N 3.09Å; K629-P634 WeakPolarHBondContact O-CD 3.38Å
630	K	90.7	Very high	88.4	Confident	135 Å²	135	66 Å²	66	59%	0.587	34%	0.335	S	S	*	.	I	π-helix	trans	-91.5	-21.5	-173.7	-68	176.8	177.5	166.3	0	113.8	E626	E626-K630 VanDerWaalsContact O-CB 3.23Å; E626-K630 WeakPolarHBondContact O-CB 2.98Å; E626-K630 WeakPolarHBondContact O-CG 3.39Å; E626-K630 PolarHBondContact O-N 3.11Å; E626-K630 IonicContact OE2-NZ 3.66Å; E626-K630 PolarHBondContact OE2-NZ 2.85Å
631	V	91.3	Very high	88.2	Confident	10 Å²	10	65.8 Å²	65.8	6%	0.061	33%	0.331	C	S	.	.	I	π-helix	trans	-123.6	-56.9	-173.5	-174	0	0	0	0	111.2	Y486 M627 P634 M635	Y486-V631 HydrophobicContact CD2-CB 4.48Å; Y486-V631 HydrophobicContact CD2-CG1 3.96Å; Y486-V631 HydrophobicContact CD2-CG2 3.78Å; Y486-V631 HydrophobicContact CE2-CG2 3.94Å; Y486-V631 HydrophobicContact CG-CG1 4.32Å; M627-V631 HydrophobicContact CG-CB 4.4Å; M627-V631 HydrophobicContact CG-CG2 4.49Å; M627-V631 WeakPolarHBondContact O-CA 3.21Å; M627-V631 VanDerWaalsContact O-CB 3.32Å; M627-V631 WeakPolarHBondContact O-CB 3.26Å; M627-V631 PolarHBondContact O-N 2.92Å; V631-P634 WeakPolarHBondContact O-CD 3.43Å; V631-M635 HydrophobicContact CG1-CE 3.65Å; V631-M635 HydrophobicContact CG1-SD 4.21Å; V631-M635 WeakPolarHBondContact O-CB 3.47Å; V631-M635 VanDerWaalsContact O-CG 3.26Å; V631-M635 WeakPolarHBondContact O-CG 3.47Å; V631-M635 PolarHBondContact O-N 3.37Å; V631-M635 VanDerWaalsContact O-N 3.08Å
632	I	91.1	Very high	88.3	Confident	9 Å²	9	62.3 Å²	62.3	5%	0.046	31%	0.309	C	S	.	.	I	π-helix	trans	-70.2	-46.4	-172.3	-59.5	175.5	0	0	0	111.6	S599 L603 M627 V628 M635 A636 T642 V674	S599-I632 WeakPolarHBondContact OG-CG2 3.39Å; L603-I632 HydrophobicContact CD1-CD1 4.33Å; L603-I632 HydrophobicContact CD2-CD1 4.3Å; M627-I632 PolarHBondContact O-N 3.35Å; M627-I632 VanDerWaalsContact O-N 3.15Å; V628-I632 HydrophobicContact CG2-CD1 3.97Å; V628-I632 PolarHBondContact O-N 2.63Å; I632-M635 PolarHBondContact O-N 3.1Å; I632-A636 WeakPolarHBondContact O-CB 3.47Å; I632-A636 PolarHBondContact O-N 2.65Å; I632-T642 HydrophobicContact CG2-CG2 4.11Å; I632-V674 HydrophobicContact CG1-CG1 4.17Å
633	E	88.8	Confident	88.5	Confident	100 Å²	100	56.3 Å²	56.3	47%	0.467	28%	0.284	S	S	.	.	H	α-helix	trans	-60.2	-49.1	177.9	-81.5	177	-176.2	0	0	111.9	V628 M635 A636 C637	V628-E633 HydrophobicContact CG1-CG 4.42Å; V628-E633 WeakPolarHBondContact O-CB 3.5Å; V628-E633 PolarHBondContact O-N 2.67Å; E633-M635 PolarHBondContact O-N 3.05Å; E633-A636 PolarHBondContact O-N 2.68Å; E633-C637 WeakPolarHBondContact O-CB 3.28Å; E633-C637 PolarHBondContact O-N 3.06Å; E633-C637 PolarHBondContact O-SG 2.79Å; E633-C637 VanDerWaalsContact O-SG 3.33Å
634	P	90.3	Very high	88.8	Confident	50 Å²	50	54 Å²	54	33%	0.325	27%	0.271	S	S	.	.	H	α-helix	trans	-57.9	-44.8	172.9	-29.7	37.3	0	0	0	114	K629 V631 A636 C637 E638	K629-P634 WeakPolarHBondContact O-CD 3.38Å; V631-P634 WeakPolarHBondContact O-CD 3.43Å; P634-A636 VanDerWaalsContact C-N 3.3Å; P634-A636 PolarHBondContact O-N 3.03Å; P634-C637 PolarHBondContact O-N 3.36Å; P634-E638 PolarHBondContact O-N 3.39Å
635	M	89.5	Confident	89.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.8	-44.4	174.6	-76.1	-177.8	-178.9	0	0	111.2	Q484 H491 V631 I632 E633 E638 G639 L640 T642	Q484-M635 HydrophobicContact CB-CE 3.82Å; H491-M635 VanDerWaalsContact CD2-CE 3.44Å; H491-M635 WeakPolarHBondContact CD2-CE 3.4Å; H491-M635 WeakPolarHBondContact NE2-CE 3.22Å; V631-M635 HydrophobicContact CG1-CE 3.65Å; V631-M635 HydrophobicContact CG1-SD 4.21Å; V631-M635 WeakPolarHBondContact O-CB 3.47Å; V631-M635 VanDerWaalsContact O-CG 3.26Å; V631-M635 WeakPolarHBondContact O-CG 3.47Å; V631-M635 PolarHBondContact O-N 3.37Å; V631-M635 VanDerWaalsContact O-N 3.08Å; I632-M635 PolarHBondContact O-N 3.1Å; E633-M635 PolarHBondContact O-N 3.05Å; M635-E638 PolarHBondContact O-N 3.22Å; M635-G639 PolarHBondContact O-N 3.25Å; M635-L640 HydrophobicContact CB-CB 4.3Å; M635-L640 HydrophobicContact CB-CD1 4.02Å; M635-L640 HydrophobicContact CG-CD1 4.05Å; M635-L640 WeakPolarHBondContact O-CB 3.49Å; M635-L640 VanDerWaalsContact O-CG 3.31Å; M635-L640 WeakPolarHBondContact O-CG 3.35Å; M635-L640 PolarHBondContact O-N 3.15Å; M635-T642 HydrophobicContact CB-CG2 3.57Å; M635-T642 HydrophobicContact CG-CG2 4.42Å; M635-T642 HydrophobicContact SD-CG2 3.98Å
636	A	82.4	Confident	89.5	Confident	43 Å²	43	46.7 Å²	46.7	36%	0.355	24%	0.237	S	C	.	.	H	α-helix	trans	-67.3	-36.5	178.1	0	0	0	0	0	112.6	I632 E633 P634 E638 G639	I632-A636 WeakPolarHBondContact O-CB 3.47Å; I632-A636 PolarHBondContact O-N 2.65Å; E633-A636 PolarHBondContact O-N 2.68Å; P634-A636 VanDerWaalsContact C-N 3.3Å; P634-A636 PolarHBondContact O-N 3.03Å; A636-E638 VanDerWaalsContact C-N 3.29Å; A636-E638 PolarHBondContact O-N 3.39Å; A636-G639 WeakPolarHBondContact O-CA 3.21Å; A636-G639 PolarHBondContact O-N 3.46Å
637	C	81.4	Confident	89.8	Confident	85 Å²	85	44.1 Å²	44.1	57%	0.574	22%	0.224	S	C	*	.	H	α-helix	trans	-64.8	-32.4	174.1	-75.1	0	0	0	0	112.6	E633 P634 G639	E633-C637 WeakPolarHBondContact O-CB 3.28Å; E633-C637 PolarHBondContact O-N 3.06Å; E633-C637 PolarHBondContact O-SG 2.79Å; E633-C637 VanDerWaalsContact O-SG 3.33Å; P634-C637 PolarHBondContact O-N 3.36Å; C637-G639 PolarHBondContact O-N 2.79Å
638	E	83.6	Confident	90	Very high	80 Å²	80	45.2 Å²	45.2	37%	0.374	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-0.3	171	-69.3	179.2	-173.4	0	0	112.9	Q484 P634 M635 A636 L640 A712	Q484-E638 PolarHBondContact NE2-OE2 3.19Å; P634-E638 PolarHBondContact O-N 3.39Å; M635-E638 PolarHBondContact O-N 3.22Å; A636-E638 VanDerWaalsContact C-N 3.29Å; A636-E638 PolarHBondContact O-N 3.39Å; E638-L640 HydrophobicContact CB-CG 4.27Å; E638-A712 WeakPolarHBondContact O-CB 3.34Å
639	G	79	Confident	90	Very high	12 Å²	12	46.7 Å²	46.7	12%	0.124	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	9.4	177.5	0	0	0	0	0	114.5	M635 A636 C637 T709	M635-G639 PolarHBondContact O-N 3.25Å; A636-G639 WeakPolarHBondContact O-CA 3.21Å; A636-G639 PolarHBondContact O-N 3.46Å; C637-G639 PolarHBondContact O-N 2.79Å; G639-T709 WeakPolarHBondContact CA-OG1 3.39Å
640	L	87.9	Confident	90.1	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.042	21%	0.207	C	C	.	.			trans	-77.1	137.4	-179.6	-48.2	179.6	0	0	0	110.8	Q484 M635 E638 T642 E678	Q484-L640 HydrophobicContact CB-CD1 4.08Å; Q484-L640 VanDerWaalsContact CD-CD1 3.48Å; Q484-L640 HydrophobicContact CG-CD1 3.66Å; M635-L640 HydrophobicContact CB-CB 4.3Å; M635-L640 HydrophobicContact CB-CD1 4.02Å; M635-L640 HydrophobicContact CG-CD1 4.05Å; M635-L640 WeakPolarHBondContact O-CB 3.49Å; M635-L640 VanDerWaalsContact O-CG 3.31Å; M635-L640 WeakPolarHBondContact O-CG 3.35Å; M635-L640 PolarHBondContact O-N 3.15Å; E638-L640 HydrophobicContact CB-CG 4.27Å; L640-T642 PolarHBondContact O-N 2.92Å; L640-E678 HydrophobicContact CD2-CB 3.58Å; L640-E678 HydrophobicContact CD2-CG 3.72Å; L640-E678 VanDerWaalsContact CD2-OE2 3.26Å; L640-E678 WeakPolarHBondContact CD2-OE2 3.48Å
641	R	86.6	Confident	90	Very high	137 Å²	137	37.6 Å²	37.6	52%	0.517	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	113.7	166.2	176.6	178.9	-71.4	173.5	-0.3	109	T540 I643 I677	T540-R641 PolarHBondContact OG1-NH1 2.97Å; T540-R641 VanDerWaalsContact OG1-NH1 3.12Å; R641-I643 HydrophobicContact CG-CD1 4.42Å; R641-I643 HydrophobicContact CG-CG1 4.49Å; R641-I677 HydrophobicContact CB-CB 4.4Å; R641-I677 PolarHBondContact N-O 3.2Å; R641-I677 PolarHBondContact O-N 3.05Å
642	T	91.8	Very high	89.7	Confident	16 Å²	16	39.7 Å²	39.7	10%	0.098	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	124	-177.5	52.2	0	0	0	0	112.1	S599 I632 M635 L640 V675	S599-T642 PolarHBondContact N-O 3.42Å; S599-T642 VanDerWaalsContact OG-CB 3.24Å; S599-T642 WeakPolarHBondContact OG-CB 3.34Å; S599-T642 PolarHBondContact OG-OG1 3.39Å; I632-T642 HydrophobicContact CG2-CG2 4.11Å; M635-T642 HydrophobicContact CB-CG2 3.57Å; M635-T642 HydrophobicContact CG-CG2 4.42Å; M635-T642 HydrophobicContact SD-CG2 3.98Å; L640-T642 PolarHBondContact O-N 2.92Å; T642-V675 CarbonylContact C-O 3.6Å; T642-V675 VanDerWaalsContact CA-O 3.32Å; T642-V675 WeakPolarHBondContact CA-O 3.47Å
643	I	94.3	Very high	89.3	Confident	21 Å²	21	48.4 Å²	48.4	11%	0.108	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.4	177.8	-62.1	-63.2	0	0	0	109	T540 G597 R641 V674 V675 I677	T540-I643 HydrophobicContact CG2-CD1 4.35Å; T540-I643 HydrophobicContact CG2-CG1 4.1Å; G597-I643 WeakPolarHBondContact O-CA 3.46Å; R641-I643 HydrophobicContact CG-CD1 4.42Å; R641-I643 HydrophobicContact CG-CG1 4.49Å; I643-V674 CarbonylContact O-C 3.49Å; I643-V674 WeakPolarHBondContact O-CA 3.45Å; I643-V675 HydrophobicContact CB-CG2 3.96Å; I643-V675 PolarHBondContact N-O 3.08Å; I643-V675 PolarHBondContact O-N 2.99Å; I643-I677 HydrophobicContact CB-CD1 4.33Å; I643-I677 HydrophobicContact CG1-CD1 3.76Å
644	C	96.1	Very high	88.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.2	171.3	175	0	0	0	0	109.5	K596 G597 V602 L603 A673 V674	K596-C644 WeakPolarHBondContact CA-O 3.43Å; G597-C644 PolarHBondContact N-O 3.11Å; G597-C644 PolarHBondContact O-N 3.43Å; V602-C644 HydrophobicContact CB-CB 3.95Å; V602-C644 HydrophobicContact CG1-CB 4.16Å; L603-C644 HydrophobicContact CD1-CB 4.4Å; C644-A673 WeakPolarHBondContact CA-O 3.31Å; C644-V674 HydrophobicContact CB-CG2 4.29Å
645	V	96.9	Very high	88.2	Confident	2 Å²	2	47 Å²	47	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.4	174.8	-173	0	0	0	0	107.7	L509 S512 I672 A673	L509-V645 HydrophobicContact CD1-CB 4.39Å; L509-V645 HydrophobicContact CD1-CG1 4.23Å; S512-V645 WeakPolarHBondContact OG-CG1 3.44Å; V645-I672 HydrophobicContact CG1-CD1 4.29Å; V645-I672 WeakPolarHBondContact O-CB 3.45Å; V645-I672 PolarHBondContact O-N 3.21Å; V645-A673 PolarHBondContact N-O 3.46Å; V645-A673 PolarHBondContact O-N 3.1Å
646	A	96.8	Very high	87.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	163.9	-173.2	0	0	0	0	0	111.3	S595 V602 L669 T670	S595-A646 PolarHBondContact N-O 2.95Å; S595-A646 PolarHBondContact O-N 3.28Å; S595-A646 VanDerWaalsContact O-O 3.1Å; V602-A646 HydrophobicContact CG1-CB 3.91Å; A646-L669 HydrophobicContact CB-CB 4.09Å; A646-L669 HydrophobicContact CB-CD1 4.32Å; A646-T670 CarbonylContact C-O 3.42Å; A646-T670 WeakPolarHBondContact CA-O 3.22Å; A646-T670 WeakPolarHBondContact CB-O 3.5Å
647	Y	96.2	Very high	88	Confident	21 Å²	21	51.7 Å²	51.7	8%	0.082	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	165.2	173.6	77.3	-74.1	0	0	0	112	T508 M593 L610 D649 T670 I672	T508-Y647 HydrophobicContact CG2-CD1 4.22Å; T508-Y647 HydrophobicContact CG2-CE1 4.24Å; M593-Y647 CarbonylContact O-C 3.58Å; M593-Y647 WeakPolarHBondContact O-CA 3.37Å; M593-Y647 WeakPolarHBondContact O-CB 3.46Å; L610-Y647 HydrophobicContact CD1-CE1 4.32Å; L610-Y647 HydrophobicContact CD2-CE1 4.37Å; L610-Y647 HydrophobicContact CG-CE1 4.49Å; Y647-D649 WeakPolarHBondContact CE2-OD2 3.44Å; Y647-T670 HydrophobicContact CD1-CG2 4.31Å; Y647-T670 HydrophobicContact CE1-CG2 3.55Å; Y647-T670 PolarHBondContact N-O 3.2Å; Y647-T670 PolarHBondContact O-N 3.45Å; Y647-I672 HydrophobicContact CD1-CD1 3.64Å; Y647-I672 HydrophobicContact CD1-CG1 3.52Å; Y647-I672 HydrophobicContact CE1-CD1 4.47Å; Y647-I672 HydrophobicContact CE1-CG1 4.01Å; Y647-I672 HydrophobicContact CG-CD1 4.32Å
648	R	94.3	Very high	88.2	Confident	34 Å²	34	52.7 Å²	52.7	13%	0.128	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	140.3	170.4	-176.6	172.1	-175.3	-165	5.4	110.1	M593 F650 D664 I665 N667 E668 L669	M593-R648 HydrophobicContact CE-CB 4.27Å; M593-R648 PolarHBondContact N-O 3.04Å; M593-R648 PolarHBondContact O-N 3.21Å; R648-F650 HydrophobicContact CB-CE2 4.28Å; R648-F650 HydrophobicContact CG-CE1 4.48Å; R648-F650 HydrophobicContact CG-CE2 4.04Å; R648-F650 HydrophobicContact CG-CZ 3.99Å; R648-D664 PolarHBondContact NH1-O 3.03Å; R648-I665 PolarHBondContact NH1-O 3.36Å; R648-N667 WeakPolarHBondContact CD-O 3.35Å; R648-N667 PolarHBondContact NE-O 2.94Å; R648-N667 PolarHBondContact NH1-O 3.49Å; R648-E668 IonicContact CZ-OE2 2.77Å; R648-E668 IonicContact NH2-OE2 2.76Å; R648-E668 PolarHBondContact NH2-OE2 3.2Å; R648-L669 HydrophobicContact CB-CD2 3.87Å
649	D	92.1	Very high	88.2	Confident	68 Å²	68	49.7 Å²	49.7	36%	0.364	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135.6	174.8	-68.4	-31.7	0	0	0	110.2	R592 Y647	R592-D649 WeakPolarHBondContact CG-OD1 3.12Å; R592-D649 IonicContact CZ-OD1 3.31Å; R592-D649 VanDerWaalsContact CZ-OD1 3.31Å; R592-D649 IonicContact CZ-OD2 3.72Å; R592-D649 IonicContact NE-OD1 2.65Å; R592-D649 PolarHBondContact NE-OD1 3.32Å; R592-D649 IonicContact NE-OD2 3.82Å; R592-D649 VanDerWaalsContact NH2-CG 3.33Å; R592-D649 IonicContact NH2-OD1 3.12Å; R592-D649 PolarHBondContact NH2-OD1 3.5Å; R592-D649 VanDerWaalsContact NH2-OD1 3.12Å; R592-D649 IonicContact NH2-OD2 2.8Å; R592-D649 PolarHBondContact NH2-OD2 2.74Å; Y647-D649 WeakPolarHBondContact CE2-OD2 3.44Å
650	F	91.4	Very high	88.3	Confident	21 Å²	21	55.4 Å²	55.4	9%	0.092	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	102.3	174.1	-60.6	-88.8	0	0	0	107.7	G590 F591 M593 R648 P657 W659 I665	G590-F650 CarbonylContact C-O 3.54Å; G590-F650 VanDerWaalsContact CA-O 3.31Å; G590-F650 WeakPolarHBondContact CA-O 3.3Å; F591-F650 HydrophobicContact CB-CB 4.14Å; F591-F650 HydrophobicContact CB-CD2 4.33Å; F591-F650 PolarHBondContact N-O 2.94Å; F591-F650 PolarHBondContact O-N 2.9Å; M593-F650 HydrophobicContact CB-CE2 3.91Å; M593-F650 HydrophobicContact CE-CE2 4.49Å; R648-F650 HydrophobicContact CB-CE2 4.28Å; R648-F650 HydrophobicContact CG-CE1 4.48Å; R648-F650 HydrophobicContact CG-CE2 4.04Å; R648-F650 HydrophobicContact CG-CZ 3.99Å; F650-P657 HydrophobicContact CB-CG 4.16Å; F650-P657 HydrophobicContact CD1-CB 4.4Å; F650-P657 HydrophobicContact CD1-CG 3.54Å; F650-P657 HydrophobicContact CE1-CG 4.08Å; F650-P657 HydrophobicContact CG-CG 3.91Å; F650-W659 HydrophobicContact CD2-CH2 4.4Å; F650-I665 HydrophobicContact CZ-CG2 4.13Å
651	P	89.1	Confident	88.1	Confident	73 Å²	73	58.7 Å²	58.7	47%	0.474	32%	0.321	S	S	.	.			trans	-66.6	144.9	-176.8	25.8	-31.8	0	0	0	111.1	E653 A654	P651-E653 PolarHBondContact O-N 3.36Å; P651-E653 VanDerWaalsContact O-N 3.15Å; P651-A654 HydrophobicContact CG-CB 4.15Å; P651-A654 PolarHBondContact O-N 3.31Å
652	A	84.1	Confident	87.6	Confident	53 Å²	53	55.6 Å²	55.6	44%	0.438	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-57.3	-31.6	-179.3	0	0	0	0	0	113	A654 G655	A652-A654 PolarHBondContact O-N 3.15Å; A652-G655 PolarHBondContact O-N 2.67Å
653	E	82.9	Confident	87	Confident	192 Å²	192	60.7 Å²	60.7	90%	0.897	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-61.6	-26.2	178.8	-63.7	157.1	-168.2	0	0	113.4	P651 G655	P651-E653 PolarHBondContact O-N 3.36Å; P651-E653 VanDerWaalsContact O-N 3.15Å; E653-G655 VanDerWaalsContact C-N 3.31Å
654	A	77.1	Confident	86.5	Confident	80 Å²	80	64.6 Å²	64.6	66%	0.661	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-84.8	-3.5	-179.2	0	0	0	0	0	113.5	P651 A652	P651-A654 HydrophobicContact CG-CB 4.15Å; P651-A654 PolarHBondContact O-N 3.31Å; A652-A654 PolarHBondContact O-N 3.15Å
655	G	79	Confident	86	Confident	41 Å²	41	64.7 Å²	64.7	42%	0.423	36%	0.361	S	S	.	.			trans	76	179.1	-174.9	0	0	0	0	0	113.4	A652 E653 P657	A652-G655 PolarHBondContact O-N 2.67Å; E653-G655 VanDerWaalsContact C-N 3.31Å; G655-P657 WeakPolarHBondContact O-CD 3.24Å
656	E	82.9	Confident	85.3	Confident	114 Å²	114	64.8 Å²	64.8	53%	0.533	36%	0.362	S	S	.	.			trans	-75.8	122.7	178.8	-171.5	175.1	174.7	0	0	111	Y568 F591 W659	Y568-E656 PolarHBondContact OH-OE1 3.07Å; F591-E656 HydrophobicContact CE2-CB 4.46Å; F591-E656 HydrophobicContact CE2-CG 4.11Å; F591-E656 HydrophobicContact CZ-CG 4.12Å; E656-W659 VanDerWaalsContact OE1-CD1 3.27Å; E656-W659 PolarHBondContact OE1-NE1 3.47Å
657	P	84.7	Confident	84.9	Confident	27 Å²	27	68 Å²	68	18%	0.175	38%	0.379	C	S	.	.			trans	-62.1	148.9	176	-20.3	31.7	0	0	0	112.1	F650 G655 W659	F650-P657 HydrophobicContact CB-CG 4.16Å; F650-P657 HydrophobicContact CD1-CB 4.4Å; F650-P657 HydrophobicContact CD1-CG 3.54Å; F650-P657 HydrophobicContact CE1-CG 4.08Å; F650-P657 HydrophobicContact CG-CG 3.91Å; G655-P657 WeakPolarHBondContact O-CD 3.24Å; P657-W659 HydrophobicContact CB-CH2 4.37Å; P657-W659 HydrophobicContact CB-CZ2 4.32Å; P657-W659 HydrophobicContact CG-CH2 3.96Å; P657-W659 HydrophobicContact CG-CZ2 3.94Å; P657-W659 VanDerWaalsContact O-CD1 3.23Å; P657-W659 PolarHBondContact O-N 2.95Å; P657-W659 PolarHBondContact O-NE1 2.87Å
658	N	85.4	Confident	84.7	Confident	107 Å²	107	72.8 Å²	72.8	57%	0.572	40%	0.402	S	S	*	.			trans	-72.7	93.6	171.2	-179.1	-4.4	0	0	0	110.5	D660 N661 I665	N658-D660 PolarHBondContact O-N 3.47Å; N658-D660 PolarHBondContact OD1-N 3.4Å; N658-D660 VanDerWaalsContact OD1-N 3.1Å; N658-N661 PolarHBondContact O-N 3.29Å; N658-I665 WeakPolarHBondContact O-CD1 3.42Å
659	W	83.9	Confident	84.7	Confident	17 Å²	17	71.3 Å²	71.3	6%	0.064	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-14.5	-177.7	-58.9	110.3	0	0	0	115.6	Y568 K569 Y571 V583 F591 F650 E656 P657 I665	Y568-W659 HydrophobicContact CD1-CZ2 4.3Å; Y568-W659 AromaticContact CE1-CD1 3.75Å; Y568-W659 HydrophobicContact CE1-CD2 4.36Å; Y568-W659 AromaticContact CE1-CE2 3.72Å; Y568-W659 HydrophobicContact CE1-CG 4.37Å; Y568-W659 HydrophobicContact CE1-CZ2 4.22Å; Y568-W659 AromaticContact CE1-NE1 3.3Å; Y568-W659 VanDerWaalsContact CE1-NE1 3.3Å; K569-W659 HydrophobicContact CD-CB 3.67Å; K569-W659 HydrophobicContact CD-CG 4.24Å; K569-W659 VanDerWaalsContact NZ-C 3.28Å; K569-W659 VanDerWaalsContact NZ-CB 3.32Å; K569-W659 PolarHBondContact NZ-O 2.92Å; Y571-W659 PolarHBondContact OH-O 2.82Å; V583-W659 HydrophobicContact CB-CZ3 4.39Å; V583-W659 HydrophobicContact CG1-CH2 3.5Å; V583-W659 HydrophobicContact CG1-CZ2 4.13Å; V583-W659 HydrophobicContact CG1-CZ3 3.8Å; V583-W659 HydrophobicContact CG2-CE3 4.25Å; V583-W659 HydrophobicContact CG2-CH2 4.33Å; V583-W659 HydrophobicContact CG2-CZ3 3.73Å; F591-W659 HydrophobicContact CB-CH2 4Å; F591-W659 HydrophobicContact CB-CZ2 4.21Å; F591-W659 HydrophobicContact CD1-CH2 4.36Å; F591-W659 AromaticContact CD1-CZ2 3.84Å; F591-W659 HydrophobicContact CD1-CZ2 3.84Å; F591-W659 AromaticContact CD2-CZ2 3.98Å; F591-W659 HydrophobicContact CD2-CZ2 3.98Å; F591-W659 HydrophobicContact CE1-CZ2 4.13Å; F591-W659 HydrophobicContact CE2-CZ2 4.27Å; F591-W659 HydrophobicContact CG-CH2 4.07Å; F591-W659 AromaticContact CG-CZ2 3.75Å; F591-W659 HydrophobicContact CG-CZ2 3.75Å; F591-W659 HydrophobicContact CZ-CZ2 4.34Å; F650-W659 HydrophobicContact CD2-CH2 4.4Å; E656-W659 VanDerWaalsContact OE1-CD1 3.27Å; E656-W659 PolarHBondContact OE1-NE1 3.47Å; P657-W659 HydrophobicContact CB-CH2 4.37Å; P657-W659 HydrophobicContact CB-CZ2 4.32Å; P657-W659 HydrophobicContact CG-CH2 3.96Å; P657-W659 HydrophobicContact CG-CZ2 3.94Å; P657-W659 VanDerWaalsContact O-CD1 3.23Å; P657-W659 PolarHBondContact O-N 2.95Å; P657-W659 PolarHBondContact O-NE1 2.87Å; W659-I665 HydrophobicContact CB-CD1 4.47Å; W659-I665 HydrophobicContact CD2-CD1 4.47Å; W659-I665 HydrophobicContact CE3-CD1 3.81Å; W659-I665 HydrophobicContact CE3-CG2 4.47Å; W659-I665 HydrophobicContact CZ3-CD1 4.46Å; W659-I665 HydrophobicContact CZ3-CG2 4.29Å
660	D	80.8	Confident	84.9	Confident	132 Å²	132	68.5 Å²	68.5	71%	0.706	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-17.7	178.5	-60.3	-29.3	0	0	0	112.1	K569 N658 E662	K569-D660 IonicContact NZ-OD1 2.64Å; K569-D660 PolarHBondContact NZ-OD1 3.26Å; N658-D660 PolarHBondContact O-N 3.47Å; N658-D660 PolarHBondContact OD1-N 3.4Å; N658-D660 VanDerWaalsContact OD1-N 3.1Å; D660-E662 VanDerWaalsContact C-N 3.34Å; D660-E662 PolarHBondContact O-N 3.22Å; D660-E662 VanDerWaalsContact O-N 3.1Å
661	N	83.6	Confident	85.1	Confident	76 Å²	76	67.5 Å²	67.5	41%	0.406	38%	0.378	S	S	.	.			trans	-85.9	73	171.8	-168.6	0.9	0	0	0	111.5	N658 N663 D664 I665	N658-N661 PolarHBondContact O-N 3.29Å; N661-N663 PolarHBondContact O-N 3.47Å; N661-N663 VanDerWaalsContact O-N 3.16Å; N661-D664 PolarHBondContact O-N 3.49Å; N661-I665 PolarHBondContact O-N 3.37Å
662	E	76.9	Confident	85.4	Confident	73 Å²	73	64.2 Å²	64.2	34%	0.341	36%	0.356	S	S	.	.	H	α-helix	trans	-55.5	-34.5	-175.7	-65	-164.2	161.1	0	0	114.2	Y571 R577 D660 D664 I665 L666	Y571-E662 HydrophobicContact CD1-CG 4.12Å; Y571-E662 WeakPolarHBondContact CD1-OE1 2.99Å; Y571-E662 HydrophobicContact CE1-CG 3.69Å; R577-E662 IonicContact NH1-OE1 2.77Å; R577-E662 PolarHBondContact NH1-OE1 3.37Å; R577-E662 IonicContact NH1-OE2 3.67Å; R577-E662 PolarHBondContact NH1-OE2 2.93Å; D660-E662 VanDerWaalsContact C-N 3.34Å; D660-E662 PolarHBondContact O-N 3.22Å; D660-E662 VanDerWaalsContact O-N 3.1Å; E662-D664 PolarHBondContact O-N 3.18Å; E662-I665 PolarHBondContact O-N 3.31Å; E662-L666 HydrophobicContact CB-CD1 4.34Å; E662-L666 WeakPolarHBondContact O-CB 3.43Å; E662-L666 WeakPolarHBondContact O-CG 3.48Å; E662-L666 PolarHBondContact O-N 3.48Å
663	N	78.9	Confident	86	Confident	122 Å²	122	61.8 Å²	61.8	65%	0.652	34%	0.336	S	S	*	.	H	α-helix	trans	-65.9	-38.6	-176.2	-78.5	-31.7	0	0	0	112.1	N661 N667	N661-N663 PolarHBondContact O-N 3.47Å; N661-N663 VanDerWaalsContact O-N 3.16Å; N663-N667 VanDerWaalsContact O-CG 3.28Å; N663-N667 PolarHBondContact O-ND2 2.79Å
664	D	82.9	Confident	86.6	Confident	103 Å²	103	52.6 Å²	52.6	55%	0.551	29%	0.293	S	S	*	.	H	α-helix	trans	-74.5	-37.4	179.2	-169.3	39.7	0	0	0	111.6	R648 N661 E662	R648-D664 PolarHBondContact NH1-O 3.03Å; N661-D664 PolarHBondContact O-N 3.49Å; E662-D664 PolarHBondContact O-N 3.18Å
665	I	85.8	Confident	87.5	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-67.7	-42.8	-179.6	-70.2	166.6	0	0	0	111.9	Y571 M593 R648 F650 N658 W659 N661 E662 N667	Y571-I665 HydrophobicContact CE2-CG2 4.41Å; M593-I665 HydrophobicContact CE-CG2 4.11Å; M593-I665 WeakPolarHBondContact CE-O 3.33Å; M593-I665 HydrophobicContact SD-CG2 3.66Å; R648-I665 PolarHBondContact NH1-O 3.36Å; F650-I665 HydrophobicContact CZ-CG2 4.13Å; N658-I665 WeakPolarHBondContact O-CD1 3.42Å; W659-I665 HydrophobicContact CB-CD1 4.47Å; W659-I665 HydrophobicContact CD2-CD1 4.47Å; W659-I665 HydrophobicContact CE3-CD1 3.81Å; W659-I665 HydrophobicContact CE3-CG2 4.47Å; W659-I665 HydrophobicContact CZ3-CD1 4.46Å; W659-I665 HydrophobicContact CZ3-CG2 4.29Å; N661-I665 PolarHBondContact O-N 3.37Å; E662-I665 PolarHBondContact O-N 3.31Å; I665-N667 PolarHBondContact O-N 2.97Å
666	L	83.6	Confident	88.2	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.021	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	4.7	-174.5	-67.9	169.3	0	0	0	114	S581 M593 K605 E662	S581-L666 VanDerWaalsContact OG-CD2 3.24Å; S581-L666 WeakPolarHBondContact OG-CD2 3.43Å; M593-L666 HydrophobicContact CE-CD2 4.11Å; M593-L666 HydrophobicContact SD-CD2 4.06Å; K605-L666 WeakPolarHBondContact CB-O 3.44Å; K605-L666 HydrophobicContact CD-CB 4.31Å; K605-L666 WeakPolarHBondContact CD-O 3.34Å; E662-L666 HydrophobicContact CB-CD1 4.34Å; E662-L666 WeakPolarHBondContact O-CB 3.43Å; E662-L666 WeakPolarHBondContact O-CG 3.48Å; E662-L666 PolarHBondContact O-N 3.48Å
667	N	88.2	Confident	88.6	Confident	68 Å²	68	41.5 Å²	41.5	36%	0.364	22%	0.216	S	C	.	.	S	Bend	trans	-95.1	173.5	174.2	-74.1	-30	0	0	0	112.3	R648 N663 I665 L669	R648-N667 WeakPolarHBondContact CD-O 3.35Å; R648-N667 PolarHBondContact NE-O 2.94Å; R648-N667 PolarHBondContact NH1-O 3.49Å; N663-N667 VanDerWaalsContact O-CG 3.28Å; N663-N667 PolarHBondContact O-ND2 2.79Å; I665-N667 PolarHBondContact O-N 2.97Å; N667-L669 VanDerWaalsContact C-N 3.27Å; N667-L669 PolarHBondContact O-N 3.48Å
668	E	91.3	Very high	88.7	Confident	121 Å²	121	41.2 Å²	41.2	57%	0.565	21%	0.213	S	C	*	.	S	Bend	trans	55.3	35.8	177.8	-51.9	-173.3	148.1	0	0	115.3	K605 S607 R648	K605-E668 PolarHBondContact O-N 2.92Å; S607-E668 WeakPolarHBondContact OG-CA 3.4Å; S607-E668 PolarHBondContact OG-O 3.41Å; R648-E668 IonicContact CZ-OE2 2.77Å; R648-E668 IonicContact NH2-OE2 2.76Å; R648-E668 PolarHBondContact NH2-OE2 3.2Å
669	L	94.6	Very high	88.6	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	156.8	178.3	-55.7	175.4	0	0	0	111.4	M593 V602 K605 C606 S607 R608 A646 R648 N667	M593-L669 HydrophobicContact CE-CD2 3.55Å; V602-L669 HydrophobicContact CG1-CD1 3.98Å; K605-L669 HydrophobicContact CB-CD1 4.04Å; K605-L669 HydrophobicContact CB-CG 4.45Å; K605-L669 PolarHBondContact O-N 2.71Å; C606-L669 CarbonylContact C-O 3.57Å; C606-L669 WeakPolarHBondContact CA-O 3.45Å; C606-L669 HydrophobicContact CB-CB 4.49Å; S607-L669 PolarHBondContact N-O 2.95Å; R608-L669 PolarHBondContact N-O 3.29Å; A646-L669 HydrophobicContact CB-CB 4.09Å; A646-L669 HydrophobicContact CB-CD1 4.32Å; R648-L669 HydrophobicContact CB-CD2 3.87Å; N667-L669 VanDerWaalsContact C-N 3.27Å; N667-L669 PolarHBondContact O-N 3.48Å
670	T	96.1	Very high	88.7	Confident	9 Å²	9	37 Å²	37	6%	0.055	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	116.2	168.2	-56.9	0	0	0	0	108.8	R608 L610 P616 A646 Y647 I672	R608-T670 HydrophobicContact CB-CG2 3.96Å; R608-T670 CarbonylContact O-C 3.53Å; R608-T670 WeakPolarHBondContact O-CA 3.29Å; L610-T670 HydrophobicContact CD2-CG2 4.06Å; L610-T670 HydrophobicContact CG-CG2 4.22Å; P616-T670 HydrophobicContact CB-CG2 4.26Å; A646-T670 CarbonylContact C-O 3.42Å; A646-T670 WeakPolarHBondContact CA-O 3.22Å; A646-T670 WeakPolarHBondContact CB-O 3.5Å; Y647-T670 HydrophobicContact CD1-CG2 4.31Å; Y647-T670 HydrophobicContact CE1-CG2 3.55Å; Y647-T670 PolarHBondContact N-O 3.2Å; Y647-T670 PolarHBondContact O-N 3.45Å; T670-I672 PolarHBondContact O-N 3.23Å
671	C	96	Very high	89.1	Confident	1 Å²	1	32 Å²	32	1%	0.007	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	126.3	177.4	-177.9	0	0	0	0	110.3	C606 R608 I609 L610	C606-C671 HydrophobicContact CB-CB 4.19Å; R608-C671 PolarHBondContact O-N 2.99Å; I609-C671 WeakPolarHBondContact CA-O 3.08Å; I609-C671 HydrophobicContact CB-CB 4.24Å; I609-C671 HydrophobicContact CG1-CB 4.06Å; L610-C671 PolarHBondContact N-O 3.41Å
672	I	95.7	Very high	89.3	Confident	4 Å²	4	29.9 Å²	29.9	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-54.2	176.2	-56.7	167	0	0	0	109.3	T505 T508 L509 L610 V645 Y647 T670	T505-I672 HydrophobicContact CG2-CG2 4.46Å; T508-I672 HydrophobicContact CG2-CD1 3.91Å; T508-I672 HydrophobicContact CG2-CG1 4.42Å; L509-I672 HydrophobicContact CB-CG2 3.87Å; L509-I672 HydrophobicContact CD1-CG2 3.82Å; L509-I672 HydrophobicContact CG-CG2 4.4Å; L610-I672 HydrophobicContact CD1-CB 4.32Å; L610-I672 HydrophobicContact CD1-CG1 4.15Å; L610-I672 HydrophobicContact CD1-CG2 4.08Å; V645-I672 HydrophobicContact CG1-CD1 4.29Å; V645-I672 WeakPolarHBondContact O-CB 3.45Å; V645-I672 PolarHBondContact O-N 3.21Å; Y647-I672 HydrophobicContact CD1-CD1 3.64Å; Y647-I672 HydrophobicContact CD1-CG1 3.52Å; Y647-I672 HydrophobicContact CE1-CD1 4.47Å; Y647-I672 HydrophobicContact CE1-CG1 4.01Å; Y647-I672 HydrophobicContact CG-CD1 4.32Å; T670-I672 PolarHBondContact O-N 3.23Å
673	A	95.5	Very high	89.8	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	151.6	-173.7	0	0	0	0	0	112	Y486 I487 L509 C644 V645	Y486-A673 VanDerWaalsContact O-CA 3.27Å; Y486-A673 WeakPolarHBondContact O-CA 3.35Å; I487-A673 HydrophobicContact CG1-CB 3.88Å; L509-A673 HydrophobicContact CD1-CB 3.92Å; C644-A673 WeakPolarHBondContact CA-O 3.31Å; V645-A673 PolarHBondContact N-O 3.46Å; V645-A673 PolarHBondContact O-N 3.1Å
674	V	95.6	Very high	90.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.8	163.1	-179.8	0	0	0	0	107.9	A485 Y486 L603 M627 I632 I643 C644	A485-V674 CarbonylContact C-O 3.36Å; A485-V674 WeakPolarHBondContact CA-O 3.21Å; Y486-V674 PolarHBondContact N-O 3.32Å; Y486-V674 PolarHBondContact O-N 3.44Å; Y486-V674 VanDerWaalsContact O-N 3.12Å; L603-V674 HydrophobicContact CD1-CG2 3.7Å; M627-V674 HydrophobicContact SD-CG2 4.07Å; I632-V674 HydrophobicContact CG1-CG1 4.17Å; I643-V674 CarbonylContact O-C 3.49Å; I643-V674 WeakPolarHBondContact O-CA 3.45Å; C644-V674 HydrophobicContact CB-CG2 4.29Å
675	V	95.9	Very high	90.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	139.8	-178	-61.6	0	0	0	0	110.9	V482 Q484 A485 L544 L547 T642 I643 I677	V482-V675 HydrophobicContact CG1-CB 3.89Å; V482-V675 HydrophobicContact CG1-CG1 4.16Å; V482-V675 HydrophobicContact CG2-CB 4.31Å; V482-V675 HydrophobicContact CG2-CG2 4.35Å; Q484-V675 CarbonylContact O-C 3.57Å; Q484-V675 WeakPolarHBondContact O-CA 3.4Å; A485-V675 HydrophobicContact CB-CG1 4.16Å; L544-V675 HydrophobicContact CD2-CG2 3.66Å; L547-V675 HydrophobicContact CD2-CG1 3.96Å; T642-V675 CarbonylContact C-O 3.6Å; T642-V675 VanDerWaalsContact CA-O 3.32Å; T642-V675 WeakPolarHBondContact CA-O 3.47Å; I643-V675 HydrophobicContact CB-CG2 3.96Å; I643-V675 PolarHBondContact N-O 3.08Å; I643-V675 PolarHBondContact O-N 2.99Å; V675-I677 HydrophobicContact CG2-CD1 4.33Å; V675-I677 HydrophobicContact CG2-CG1 4.2Å
676	G	94	Very high	91.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	115.3	171.5	0	0	0	0	0	109.8	V483 Q484	V483-G676 PolarHBondContact N-O 2.75Å; Q484-G676 PolarHBondContact N-O 3.26Å; Q484-G676 PolarHBondContact O-N 2.9Å
677	I	90.4	Very high	91.9	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128	-178.9	-55.5	174.5	0	0	0	108.7	M480 T481 V482 T540 A543 L544 R641 I643 V675	M480-I677 HydrophobicContact CB-CG2 3.78Å; M480-I677 HydrophobicContact CE-CB 4.49Å; M480-I677 HydrophobicContact CE-CG2 3.68Å; T481-I677 WeakPolarHBondContact O-CA 3.31Å; T481-I677 WeakPolarHBondContact O-CG2 3.48Å; V482-I677 HydrophobicContact CG2-CG1 3.92Å; T540-I677 HydrophobicContact CG2-CD1 3.6Å; A543-I677 HydrophobicContact CB-CD1 4.27Å; A543-I677 HydrophobicContact CB-CG2 3.74Å; L544-I677 HydrophobicContact CD2-CD1 4.32Å; R641-I677 HydrophobicContact CB-CB 4.4Å; R641-I677 PolarHBondContact N-O 3.2Å; R641-I677 PolarHBondContact O-N 3.05Å; I643-I677 HydrophobicContact CB-CD1 4.33Å; I643-I677 HydrophobicContact CG1-CD1 3.76Å; V675-I677 HydrophobicContact CG2-CD1 4.33Å; V675-I677 HydrophobicContact CG2-CG1 4.2Å
678	E	87.5	Confident	92.2	Very high	21 Å²	21	25.1 Å²	25.1	10%	0.098	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	163.9	168.7	58.1	173.1	-155.6	0	0	112.1	M480 T481 V483 L640 K716	M480-E678 WeakPolarHBondContact CA-O 3.3Å; T481-E678 PolarHBondContact N-O 3.43Å; T481-E678 PolarHBondContact O-N 3.22Å; T481-E678 PolarHBondContact OG1-O 3.12Å; V483-E678 HydrophobicContact CB-CG 4.03Å; V483-E678 HydrophobicContact CG2-CG 3.35Å; L640-E678 HydrophobicContact CD2-CB 3.58Å; L640-E678 HydrophobicContact CD2-CG 3.72Å; L640-E678 VanDerWaalsContact CD2-OE2 3.26Å; L640-E678 WeakPolarHBondContact CD2-OE2 3.48Å; E678-K716 VanDerWaalsContact CD-NZ 3.32Å; E678-K716 IonicContact OE1-NZ 3.56Å; E678-K716 PolarHBondContact OE1-NZ 3.29Å; E678-K716 VanDerWaalsContact OE1-NZ 3.12Å; E678-K716 IonicContact OE2-NZ 2.75Å; E678-K716 PolarHBondContact OE2-NZ 2.73Å
679	D	83.8	Confident	92.4	Very high	15 Å²	15	19.4 Å²	19.4	8%	0.08	12%	0.119	C	C	.	.			trans	-93.6	106	163.7	-172.7	11.9	0	0	0	107.5	T476 N478 R479 M480	T476-D679 WeakPolarHBondContact CB-OD2 3.22Å; T476-D679 HydrophobicContact CG2-CB 4.46Å; T476-D679 VanDerWaalsContact OG1-CG 3.23Å; T476-D679 PolarHBondContact OG1-OD2 3.06Å; N478-D679 VanDerWaalsContact CA-OD1 3.29Å; N478-D679 WeakPolarHBondContact CA-OD1 3.42Å; N478-D679 WeakPolarHBondContact CA-OD2 3.36Å; N478-D679 PolarHBondContact N-OD1 3.22Å; N478-D679 PolarHBondContact N-OD2 2.93Å; R479-D679 PolarHBondContact N-OD1 3.4Å; M480-D679 HydrophobicContact SD-CB 3.85Å
680	P	85.7	Confident	92.4	Very high	22 Å²	22	21.3 Å²	21.3	14%	0.143	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-69.5	147.6	-170.5	28.9	-32.4	0	0	0	111.3	T476 M477 R479 T481	T476-P680 CarbonylContact C-O 3.42Å; T476-P680 VanDerWaalsContact CA-O 3.25Å; T476-P680 WeakPolarHBondContact CA-O 3.12Å; T476-P680 WeakPolarHBondContact CB-O 3.47Å; M477-P680 HydrophobicContact CB-CG 4.31Å; M477-P680 HydrophobicContact CG-CG 4.21Å; M477-P680 PolarHBondContact N-O 3.21Å; M477-P680 HydrophobicContact SD-CG 3.97Å; R479-P680 WeakPolarHBondContact O-CD 3.15Å; T481-P680 HydrophobicContact CG2-CG 4.4Å
681	V	89.4	Confident	92.3	Very high	26 Å²	26	24.4 Å²	24.4	16%	0.158	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-67.6	140.3	172.8	179.2	0	0	0	0	109.3	V685 P686 I713 K716 C717	V681-V685 HydrophobicContact CG1-CB 4.04Å; V681-V685 HydrophobicContact CG1-CG1 4.06Å; V681-P686 HydrophobicContact CG1-CG 4.44Å; V681-I713 HydrophobicContact CG2-CD1 4.18Å; V681-I713 HydrophobicContact CG2-CG2 3.95Å; V681-K716 HydrophobicContact CG2-CB 4.16Å; V681-C717 VanDerWaalsContact CG1-SG 3.54Å
682	R	86.9	Confident	92.2	Very high	31 Å²	31	24.5 Å²	24.5	12%	0.117	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-65	133.5	174.9	-60.4	174.6	-179.2	-92	4.1	110	G473 T474 L475 T476 M477 E684 V685 P686 D828	G473-R682 PolarHBondContact O-NH2 3.36Å; T474-R682 WeakPolarHBondContact O-CD 3.5Å; T474-R682 PolarHBondContact O-NE 3.16Å; L475-R682 PolarHBondContact O-N 2.98Å; L475-R682 VanDerWaalsContact O-N 3.09Å; T476-R682 PolarHBondContact O-NE 3.18Å; T476-R682 VanDerWaalsContact O-NE 3.1Å; M477-R682 HydrophobicContact CG-CG 4.04Å; R682-E684 PolarHBondContact O-N 2.93Å; R682-V685 HydrophobicContact CB-CB 4.4Å; R682-V685 HydrophobicContact CB-CG2 3.72Å; R682-V685 HydrophobicContact CG-CG2 4.41Å; R682-V685 WeakPolarHBondContact O-CB 3.22Å; R682-V685 PolarHBondContact O-N 3.45Å; R682-P686 WeakPolarHBondContact O-CD 2.88Å; R682-D828 PolarHBondContact NE-O 2.67Å; R682-D828 PolarHBondContact NH2-O 3.03Å
683	P	89.3	Confident	92	Very high	103 Å²	103	27.2 Å²	27.2	67%	0.669	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-31.8	-174.2	-28.5	34	0	0	0	114.8	M477	M477-P683 VanDerWaalsContact CE-CD 3.44Å; M477-P683 HydrophobicContact CE-CG 4.08Å
684	E	89.7	Confident	91.9	Very high	54 Å²	54	35.1 Å²	35.1	25%	0.252	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-18.5	-176.8	66.3	-83.4	-163.2	0	0	114.4	R682 A687 A688 N829 T831	R682-E684 PolarHBondContact O-N 2.93Å; E684-A687 PolarHBondContact O-N 3.28Å; E684-A688 WeakPolarHBondContact O-CB 3.4Å; E684-A688 PolarHBondContact O-N 3.02Å; E684-N829 VanDerWaalsContact CG-OD1 3.23Å; E684-N829 WeakPolarHBondContact CG-OD1 3.26Å; E684-N829 VanDerWaalsContact OE1-CG 3.23Å; E684-N829 PolarHBondContact OE1-ND2 3.21Å; E684-N829 PolarHBondContact OE1-OD1 3.35Å; E684-T831 HydrophobicContact CB-CG2 3.77Å; E684-T831 HydrophobicContact CG-CG2 3.72Å
685	V	93.9	Very high	91.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.2	-46.4	-175.4	161.4	0	0	0	0	112.9	L475 V681 R682 A687 A688 I689 C717 F830	L475-V685 HydrophobicContact CD2-CG1 3.8Å; V681-V685 HydrophobicContact CG1-CB 4.04Å; V681-V685 HydrophobicContact CG1-CG1 4.06Å; R682-V685 HydrophobicContact CB-CB 4.4Å; R682-V685 HydrophobicContact CB-CG2 3.72Å; R682-V685 HydrophobicContact CG-CG2 4.41Å; R682-V685 WeakPolarHBondContact O-CB 3.22Å; R682-V685 PolarHBondContact O-N 3.45Å; V685-A687 VanDerWaalsContact C-N 3.34Å; V685-A687 PolarHBondContact O-N 3.43Å; V685-A688 PolarHBondContact O-N 2.95Å; V685-A688 VanDerWaalsContact O-N 3.15Å; V685-I689 HydrophobicContact CG1-CD1 3.48Å; V685-I689 VanDerWaalsContact CG1-CD1 3.48Å; V685-I689 HydrophobicContact CG1-CG1 4.23Å; V685-I689 WeakPolarHBondContact O-CG1 3.34Å; V685-I689 PolarHBondContact O-N 3.08Å; V685-C717 HydrophobicContact CG1-CB 4.29Å; V685-F830 HydrophobicContact CG2-CB 3.72Å; V685-F830 HydrophobicContact CG2-CG 4.41Å
686	P	94.8	Very high	91.5	Very high	51 Å²	51	36.7 Å²	36.7	33%	0.331	21%	0.206	S	C	.	.	H	α-helix	trans	-58.5	-42.9	179.6	-25.8	34.7	0	0	0	113.3	V681 R682 A690	V681-P686 HydrophobicContact CG1-CG 4.44Å; R682-P686 WeakPolarHBondContact O-CD 2.88Å; P686-A690 WeakPolarHBondContact O-CB 3.42Å; P686-A690 PolarHBondContact O-N 3.08Å; P686-A690 VanDerWaalsContact O-N 3.1Å
687	A	95.1	Very high	91.6	Very high	63 Å²	63	36.8 Å²	36.8	52%	0.521	21%	0.207	S	C	.	.	H	α-helix	trans	-68.1	-37.1	177.6	0	0	0	0	0	112.1	E684 V685 K691	E684-A687 PolarHBondContact O-N 3.28Å; V685-A687 VanDerWaalsContact C-N 3.34Å; V685-A687 PolarHBondContact O-N 3.43Å; A687-K691 PolarHBondContact O-N 3.31Å; A687-K691 VanDerWaalsContact O-N 3.09Å
688	A	94.8	Very high	91.7	Very high	3 Å²	3	38.8 Å²	38.8	3%	0.025	22%	0.219	C	C	.	.	H	α-helix	trans	-67.2	-42.8	177.6	0	0	0	0	0	112.2	E684 V685 K691 C692 F830 T831 V834	E684-A688 WeakPolarHBondContact O-CB 3.4Å; E684-A688 PolarHBondContact O-N 3.02Å; V685-A688 PolarHBondContact O-N 2.95Å; V685-A688 VanDerWaalsContact O-N 3.15Å; A688-K691 WeakPolarHBondContact O-CB 3.48Å; A688-K691 PolarHBondContact O-N 3.49Å; A688-C692 PolarHBondContact O-N 3.34Å; A688-F830 HydrophobicContact CB-CD1 3.73Å; A688-F830 HydrophobicContact CB-CE1 4.4Å; A688-T831 HydrophobicContact CB-CG2 3.97Å; A688-V834 HydrophobicContact CB-CG2 3.87Å
689	I	95.4	Very high	92.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-44	176.1	-72.8	171.4	0	0	0	110.6	L475 V685 K691 C692 Q693 V699 C717 I719 F830	L475-I689 HydrophobicContact CD2-CD1 4.17Å; V685-I689 HydrophobicContact CG1-CD1 3.48Å; V685-I689 VanDerWaalsContact CG1-CD1 3.48Å; V685-I689 HydrophobicContact CG1-CG1 4.23Å; V685-I689 WeakPolarHBondContact O-CG1 3.34Å; V685-I689 PolarHBondContact O-N 3.08Å; I689-K691 VanDerWaalsContact C-N 3.3Å; I689-K691 PolarHBondContact O-N 3.39Å; I689-C692 WeakPolarHBondContact O-CB 3.3Å; I689-C692 PolarHBondContact O-N 2.85Å; I689-C692 VanDerWaalsContact O-N 3.1Å; I689-Q693 VanDerWaalsContact CG2-CD 3.46Å; I689-Q693 VanDerWaalsContact CG2-NE2 3.29Å; I689-Q693 PolarHBondContact O-N 2.92Å; I689-Q693 PolarHBondContact O-OE1 2.85Å; I689-Q693 VanDerWaalsContact O-OE1 3.07Å; I689-V699 HydrophobicContact CG2-CG2 4.42Å; I689-C717 HydrophobicContact CD1-CB 3.7Å; I689-C717 WeakPolarHBondContact CD1-O 3.47Å; I689-I719 HydrophobicContact CD1-CD1 4.15Å; I689-I719 HydrophobicContact CD1-CG1 3.84Å; I689-I719 HydrophobicContact CG2-CG1 4.25Å; I689-F830 HydrophobicContact CG1-CD1 4.39Å; I689-F830 HydrophobicContact CG1-CE1 3.87Å; I689-F830 HydrophobicContact CG1-CZ 4.26Å
690	A	94.3	Very high	92.7	Very high	42 Å²	42	37.5 Å²	37.5	35%	0.347	21%	0.213	S	C	.	.	H	α-helix	trans	-59.9	-37.9	174.6	0	0	0	0	0	112.7	P686 R694	P686-A690 WeakPolarHBondContact O-CB 3.42Å; P686-A690 PolarHBondContact O-N 3.08Å; P686-A690 VanDerWaalsContact O-N 3.1Å; A690-R694 WeakPolarHBondContact O-CB 3.39Å; A690-R694 PolarHBondContact O-N 3.45Å
691	K	94.1	Very high	93.1	Very high	75 Å²	75	36.5 Å²	36.5	33%	0.326	21%	0.206	S	C	.	.	H	α-helix	trans	-64.8	-44	172.8	-75	-170.7	-178.3	-168.3	0	111.6	A687 A688 I689 R694 A695 V834 E904	A687-K691 PolarHBondContact O-N 3.31Å; A687-K691 VanDerWaalsContact O-N 3.09Å; A688-K691 WeakPolarHBondContact O-CB 3.48Å; A688-K691 PolarHBondContact O-N 3.49Å; I689-K691 VanDerWaalsContact C-N 3.3Å; I689-K691 PolarHBondContact O-N 3.39Å; K691-R694 PolarHBondContact O-N 3.46Å; K691-A695 WeakPolarHBondContact O-CB 3.47Å; K691-A695 PolarHBondContact O-N 2.93Å; K691-V834 HydrophobicContact CB-CG1 4.2Å; K691-V834 HydrophobicContact CD-CG1 4.34Å; K691-E904 IonicContact NZ-OE1 2.68Å; K691-E904 PolarHBondContact NZ-OE1 3.37Å
692	C	94.2	Very high	93.3	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.014	20%	0.2	C	C	.	.	H	α-helix	trans	-59.5	-48.6	175.9	-76.4	0	0	0	0	112.3	A688 I689 R694 A695 G696 I697 V699	A688-C692 PolarHBondContact O-N 3.34Å; I689-C692 WeakPolarHBondContact O-CB 3.3Å; I689-C692 PolarHBondContact O-N 2.85Å; I689-C692 VanDerWaalsContact O-N 3.1Å; C692-R694 PolarHBondContact O-N 2.95Å; C692-A695 CarbonylContact O-C 3.58Å; C692-A695 WeakPolarHBondContact O-CA 3.43Å; C692-A695 WeakPolarHBondContact O-CB 3.23Å; C692-A695 PolarHBondContact O-N 3.43Å; C692-A695 VanDerWaalsContact O-N 3.07Å; C692-G696 PolarHBondContact O-N 3.03Å; C692-I697 CarbonylContact C-O 3.43Å; C692-I697 HydrophobicContact CB-CB 4.17Å; C692-I697 WeakPolarHBondContact O-CB 3.38Å; C692-I697 PolarHBondContact O-N 2.91Å; C692-V699 HydrophobicContact CB-CG2 4Å
693	Q	92.3	Very high	93.3	Very high	62 Å²	62	34.1 Å²	34.1	29%	0.29	20%	0.195	S	C	.	.	H	α-helix	trans	-63.2	-41.7	-179.6	-73.6	148.7	-21.5	0	0	111.6	I689 A695 G696 I697 G718	I689-Q693 VanDerWaalsContact CG2-CD 3.46Å; I689-Q693 VanDerWaalsContact CG2-NE2 3.29Å; I689-Q693 PolarHBondContact O-N 2.92Å; I689-Q693 PolarHBondContact O-OE1 2.85Å; I689-Q693 VanDerWaalsContact O-OE1 3.07Å; Q693-A695 VanDerWaalsContact C-N 3.25Å; Q693-A695 PolarHBondContact O-N 2.92Å; Q693-G696 PolarHBondContact O-N 3.31Å; Q693-I697 WeakPolarHBondContact CA-O 3.28Å; Q693-G718 PolarHBondContact NE2-O 3.42Å
694	R	92.4	Very high	92.8	Very high	167 Å²	167	31.5 Å²	31.5	63%	0.63	19%	0.187	S	C	*	.	H	α-helix	trans	-60.2	-35.7	173	-170.4	-176.5	-58.1	154.6	4	112.5	A690 K691 C692 G696	A690-R694 WeakPolarHBondContact O-CB 3.39Å; A690-R694 PolarHBondContact O-N 3.45Å; K691-R694 PolarHBondContact O-N 3.46Å; C692-R694 PolarHBondContact O-N 2.95Å; R694-G696 PolarHBondContact O-N 3.15Å
695	A	92.3	Very high	92.2	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.008	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	2.1	176.6	0	0	0	0	0	114	K691 C692 Q693 I697 R841 L907	K691-A695 WeakPolarHBondContact O-CB 3.47Å; K691-A695 PolarHBondContact O-N 2.93Å; C692-A695 CarbonylContact O-C 3.58Å; C692-A695 WeakPolarHBondContact O-CA 3.43Å; C692-A695 WeakPolarHBondContact O-CB 3.23Å; C692-A695 PolarHBondContact O-N 3.43Å; C692-A695 VanDerWaalsContact O-N 3.07Å; Q693-A695 VanDerWaalsContact C-N 3.25Å; Q693-A695 PolarHBondContact O-N 2.92Å; A695-I697 HydrophobicContact CB-CD1 4.5Å; A695-I697 HydrophobicContact CB-CG1 4.41Å; A695-R841 PolarHBondContact O-NH2 3.37Å; A695-L907 WeakPolarHBondContact CA-O 3.26Å; A695-L907 HydrophobicContact CB-CB 4.37Å; A695-L907 HydrophobicContact CB-CD2 4.39Å; A695-L907 WeakPolarHBondContact CB-O 3.09Å
696	G	91.8	Very high	91.6	Very high	31 Å²	31	34 Å²	34	32%	0.32	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	18	-178.7	0	0	0	0	0	114.3	C692 Q693 R694	C692-G696 PolarHBondContact O-N 3.03Å; Q693-G696 PolarHBondContact O-N 3.31Å; R694-G696 PolarHBondContact O-N 3.15Å
697	I	94.9	Very high	91.2	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	19%	0.192	C	C	.	.			trans	-101.3	122.2	-179.2	-51.6	-179.9	0	0	0	109.6	A464 T465 I467 C692 Q693 A695 V837	A464-I697 HydrophobicContact CB-CD1 4.48Å; A464-I697 WeakPolarHBondContact O-CG1 3.49Å; T465-I697 WeakPolarHBondContact O-CA 3.19Å; I467-I697 HydrophobicContact CD1-CG2 3.7Å; I467-I697 HydrophobicContact CG1-CG2 3.69Å; C692-I697 CarbonylContact C-O 3.43Å; C692-I697 HydrophobicContact CB-CB 4.17Å; C692-I697 WeakPolarHBondContact O-CB 3.38Å; C692-I697 PolarHBondContact O-N 2.91Å; Q693-I697 WeakPolarHBondContact CA-O 3.28Å; A695-I697 HydrophobicContact CB-CD1 4.5Å; A695-I697 HydrophobicContact CB-CG1 4.41Å; I697-V837 HydrophobicContact CD1-CB 4.44Å; I697-V837 HydrophobicContact CD1-CG1 3.78Å; I697-V837 HydrophobicContact CD1-CG2 3.81Å
698	T	93.8	Very high	90.6	Very high	43 Å²	43	33.1 Å²	33.1	26%	0.264	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	113.6	177.7	-55.1	0	0	0	0	110.5	T465 A466 I467 R700 R758	T465-T698 PolarHBondContact O-N 3.05Å; A466-T698 WeakPolarHBondContact CA-O 3.42Å; I467-T698 PolarHBondContact N-O 2.82Å; T698-R700 HydrophobicContact CG2-CG 4.43Å; T698-R758 VanDerWaalsContact CG2-CZ 3.49Å
699	V	95.9	Very high	90	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	132.1	174.6	-174.1	0	0	0	0	109.6	I467 I689 C692 I719 F830	I467-V699 CarbonylContact O-C 3.54Å; I467-V699 WeakPolarHBondContact O-CA 3.43Å; I689-V699 HydrophobicContact CG2-CG2 4.42Å; C692-V699 HydrophobicContact CB-CG2 4Å; V699-I719 HydrophobicContact CG1-CD1 4.07Å; V699-I719 HydrophobicContact CG1-CG1 4.25Å; V699-F830 HydrophobicContact CG1-CZ 4.31Å; V699-F830 HydrophobicContact CG2-CZ 4.42Å
700	R	95.8	Very high	89.6	Confident	8 Å²	8	34.5 Å²	34.5	3%	0.03	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.7	177.5	-64.5	178.9	172.8	76.4	-1	109.1	I467 C468 S469 T698 W754 L757 R758	I467-R700 PolarHBondContact O-N 3.29Å; C468-R700 CarbonylContact C-O 3.54Å; C468-R700 WeakPolarHBondContact CA-O 3.49Å; S469-R700 PolarHBondContact N-O 2.97Å; T698-R700 HydrophobicContact CG2-CG 4.43Å; R700-W754 PolarHBondContact NE-O 3.44Å; R700-W754 PolarHBondContact NH2-O 3.35Å; R700-L757 WeakPolarHBondContact CD-O 3.43Å; R700-L757 PolarHBondContact NE-O 3.11Å; R700-L757 VanDerWaalsContact NE-O 3.07Å; R700-R758 CarbonylContact C-O 3.57Å; R700-R758 WeakPolarHBondContact CA-O 3.1Å
701	M	95.3	Very high	89.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127.5	174.3	-175.5	-172.7	-68.7	0	0	109.6	S469 K471 L475 T703 A710 I713 A714 I719 R758 V759 L760	S469-M701 WeakPolarHBondContact O-CA 3.38Å; K471-M701 HydrophobicContact CB-CE 4.49Å; K471-M701 HydrophobicContact CB-CG 4.08Å; K471-M701 HydrophobicContact CB-SD 3.98Å; K471-M701 HydrophobicContact CG-CE 4.16Å; K471-M701 HydrophobicContact CG-SD 3.97Å; L475-M701 HydrophobicContact CD1-CE 3.74Å; L475-M701 HydrophobicContact CD1-CG 4.41Å; M701-T703 HydrophobicContact CG-CG2 4.32Å; M701-T703 HydrophobicContact SD-CG2 4.22Å; M701-A710 HydrophobicContact SD-CB 4.06Å; M701-I713 HydrophobicContact CE-CB 4Å; M701-I713 HydrophobicContact CE-CG2 3.6Å; M701-A714 HydrophobicContact CE-CB 3.82Å; M701-A714 HydrophobicContact SD-CB 4.41Å; M701-I719 HydrophobicContact CB-CD1 4.17Å; M701-I719 HydrophobicContact CE-CD1 4.12Å; M701-R758 PolarHBondContact N-O 2.89Å; M701-V759 HydrophobicContact CB-CG2 4.44Å; M701-V759 CarbonylContact O-C 3.56Å; M701-V759 WeakPolarHBondContact O-CA 3.03Å; M701-L760 PolarHBondContact O-N 3.21Å
702	V	92.6	Very high	89	Confident	5 Å²	5	35 Å²	35	3%	0.03	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	112.4	176.2	-173	0	0	0	0	108.2	C468 S469 D470 L760 K768 L771	C468-V702 HydrophobicContact CB-CG2 4.29Å; S469-V702 PolarHBondContact O-N 2.82Å; D470-V702 WeakPolarHBondContact CA-O 3.25Å; V702-L760 WeakPolarHBondContact CA-O 3.31Å; V702-L760 HydrophobicContact CG1-CB 4.24Å; V702-L760 HydrophobicContact CG1-CD2 4.09Å; V702-L760 HydrophobicContact CG1-CG 4.44Å; V702-L760 HydrophobicContact CG2-CB 4.46Å; V702-K768 HydrophobicContact CG1-CB 4.31Å; V702-K768 HydrophobicContact CG1-CD 3.93Å; V702-K768 HydrophobicContact CG1-CG 3.61Å; V702-L771 HydrophobicContact CG2-CD2 3.85Å
703	T	87.9	Confident	88.8	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.012	19%	0.19	C	C	.	.			trans	-145.4	150.9	-169.5	-172.4	0	0	0	0	113.1	K471 M701 D705 A710 L760 A761 R762 S763	K471-T703 HydrophobicContact CB-CG2 4.39Å; M701-T703 HydrophobicContact CG-CG2 4.32Å; M701-T703 HydrophobicContact SD-CG2 4.22Å; T703-D705 HydrophobicContact CG2-CB 3.94Å; T703-D705 PolarHBondContact O-N 3.49Å; T703-D705 PolarHBondContact OG1-N 3.44Å; T703-A710 HydrophobicContact CG2-CB 3.74Å; T703-L760 PolarHBondContact N-O 2.93Å; T703-A761 CarbonylContact O-C 3.5Å; T703-A761 VanDerWaalsContact O-C 3.27Å; T703-A761 WeakPolarHBondContact O-CA 3.36Å; T703-R762 PolarHBondContact O-N 3.07Å; T703-S763 VanDerWaalsContact C-OG 3.28Å; T703-S763 PolarHBondContact O-N 3.29Å; T703-S763 PolarHBondContact O-OG 2.94Å
704	G	78.4	Confident	88.8	Confident	49 Å²	49	32.3 Å²	32.3	51%	0.505	18%	0.176	S	C	.	.	S	Bend	trans	-74.4	-6.7	171	0	0	0	0	0	114.4
705	D	77.3	Confident	88.8	Confident	48 Å²	48	27.9 Å²	27.9	26%	0.257	17%	0.168	S	C	.	.	S	Bend	trans	-69.7	164.1	180	-85.2	5.8	0	0	0	113.5	K471 T703 A761 R762	K471-D705 WeakPolarHBondContact CD-OD2 3.4Å; K471-D705 WeakPolarHBondContact CE-OD2 3.32Å; K471-D705 IonicContact NZ-OD1 3.2Å; K471-D705 IonicContact NZ-OD2 3.63Å; K471-D705 PolarHBondContact NZ-OD2 2.81Å; T703-D705 HydrophobicContact CG2-CB 3.94Å; T703-D705 PolarHBondContact O-N 3.49Å; T703-D705 PolarHBondContact OG1-N 3.44Å; D705-A761 WeakPolarHBondContact O-CB 3.47Å; D705-R762 PolarHBondContact O-N 2.82Å
706	N	79.8	Confident	88.7	Confident	58 Å²	58	32.6 Å²	32.6	31%	0.31	19%	0.188	S	C	.	.			trans	-62	145.7	171.9	-175.2	-48.5	0	0	0	111.3	N708 T709 A710 R762	N706-N708 VanDerWaalsContact C-N 3.27Å; N706-N708 PolarHBondContact O-N 3.19Å; N706-N708 PolarHBondContact OD1-N 3.49Å; N706-T709 PolarHBondContact O-N 3.22Å; N706-A710 PolarHBondContact O-N 3.44Å; N706-R762 PolarHBondContact ND2-NH2 2.88Å
707	I	86.3	Confident	88.7	Confident	24 Å²	24	31.1 Å²	31.1	12%	0.123	17%	0.173	C	C	.	.	H	α-helix	trans	-54.1	-36.8	179	-164.5	165.9	0	0	0	114.4	A710 R711 C728 E730 A761	I707-A710 PolarHBondContact O-N 2.87Å; I707-R711 VanDerWaalsContact O-CB 3.23Å; I707-R711 WeakPolarHBondContact O-CB 3.41Å; I707-R711 PolarHBondContact O-N 3.25Å; I707-C728 HydrophobicContact CD1-CB 4.2Å; I707-C728 HydrophobicContact CG1-CB 4.44Å; I707-E730 HydrophobicContact CB-CG 3.91Å; I707-E730 HydrophobicContact CD1-CG 4.07Å; I707-E730 HydrophobicContact CG2-CG 4.25Å; I707-A761 VanDerWaalsContact CA-CB 3.47Å; I707-A761 HydrophobicContact CB-CB 3.86Å; I707-A761 HydrophobicContact CG1-CB 4.2Å
708	N	83.5	Confident	88.7	Confident	71 Å²	71	32.1 Å²	32.1	38%	0.38	18%	0.183	S	C	.	.	H	α-helix	trans	-67.2	-46.3	-179.9	-68.8	-24.6	0	0	0	111.3	N706 R711 A712	N706-N708 VanDerWaalsContact C-N 3.27Å; N706-N708 PolarHBondContact O-N 3.19Å; N706-N708 PolarHBondContact OD1-N 3.49Å; N708-R711 PolarHBondContact O-N 3.25Å; N708-A712 WeakPolarHBondContact O-CB 3.2Å; N708-A712 PolarHBondContact O-N 3.45Å
709	T	81.3	Confident	88.7	Confident	33 Å²	33	30.2 Å²	30.2	20%	0.202	17%	0.172	C	C	.	.	H	α-helix	trans	-61.6	-47.9	174.8	-55.2	0	0	0	0	110.9	G639 N706 R711 A712 I713	G639-T709 WeakPolarHBondContact CA-OG1 3.39Å; N706-T709 PolarHBondContact O-N 3.22Å; T709-R711 VanDerWaalsContact C-N 3.32Å; T709-R711 PolarHBondContact O-N 3.49Å; T709-A712 PolarHBondContact O-N 3.48Å; T709-I713 HydrophobicContact CG2-CG1 4.49Å; T709-I713 WeakPolarHBondContact O-CG1 3.48Å; T709-I713 PolarHBondContact O-N 3.45Å
710	A	87.3	Confident	88.6	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.3	-42	179.4	0	0	0	0	0	111.7	M701 T703 N706 I707 A714 V759 A761	M701-A710 HydrophobicContact SD-CB 4.06Å; T703-A710 HydrophobicContact CG2-CB 3.74Å; N706-A710 PolarHBondContact O-N 3.44Å; I707-A710 PolarHBondContact O-N 2.87Å; A710-A714 WeakPolarHBondContact O-CB 3.24Å; A710-A714 PolarHBondContact O-N 3.27Å; A710-V759 HydrophobicContact CB-CG1 3.57Å; A710-A761 HydrophobicContact CB-CB 4.06Å
711	R	89.5	Confident	88.3	Confident	107 Å²	107	33.3 Å²	33.3	40%	0.404	19%	0.188	S	C	.	.	H	α-helix	trans	-64.1	-43.6	175.9	-173.6	-176.9	-62.9	166.2	2.1	112.2	I707 N708 T709 A714 T715 L720	I707-R711 VanDerWaalsContact O-CB 3.23Å; I707-R711 WeakPolarHBondContact O-CB 3.41Å; I707-R711 PolarHBondContact O-N 3.25Å; N708-R711 PolarHBondContact O-N 3.25Å; T709-R711 VanDerWaalsContact C-N 3.32Å; T709-R711 PolarHBondContact O-N 3.49Å; R711-A714 PolarHBondContact O-N 2.94Å; R711-T715 WeakPolarHBondContact O-CB 3.19Å; R711-T715 PolarHBondContact O-N 3.25Å; R711-T715 PolarHBondContact O-OG1 3Å; R711-L720 HydrophobicContact CG-CD1 3.83Å
712	A	87.2	Confident	87.6	Confident	20 Å²	20	39.1 Å²	39.1	17%	0.165	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-49	177.9	0	0	0	0	0	111.3	E638 N708 T709 T715 K716	E638-A712 WeakPolarHBondContact O-CB 3.34Å; N708-A712 WeakPolarHBondContact O-CB 3.2Å; N708-A712 PolarHBondContact O-N 3.45Å; T709-A712 PolarHBondContact O-N 3.48Å; A712-T715 PolarHBondContact O-N 2.99Å; A712-K716 WeakPolarHBondContact O-CG 3.3Å; A712-K716 PolarHBondContact O-N 3.4Å
713	I	89.3	Confident	87	Confident	8 Å²	8	43 Å²	43	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-43.7	176.3	-61.7	-53.4	0	0	0	111.1	K471 T476 V681 M701 T709 T715 K716 C717	K471-I713 HydrophobicContact CD-CG1 4.4Å; K471-I713 HydrophobicContact CG-CG2 4.04Å; T476-I713 HydrophobicContact CG2-CG2 4.31Å; V681-I713 HydrophobicContact CG2-CD1 4.18Å; V681-I713 HydrophobicContact CG2-CG2 3.95Å; M701-I713 HydrophobicContact CE-CB 4Å; M701-I713 HydrophobicContact CE-CG2 3.6Å; T709-I713 HydrophobicContact CG2-CG1 4.49Å; T709-I713 WeakPolarHBondContact O-CG1 3.48Å; T709-I713 PolarHBondContact O-N 3.45Å; I713-T715 VanDerWaalsContact C-N 3.26Å; I713-T715 PolarHBondContact O-N 2.93Å; I713-K716 HydrophobicContact CD1-CD 4.49Å; I713-K716 PolarHBondContact O-N 2.87Å; I713-K716 VanDerWaalsContact O-N 3.16Å; I713-C717 WeakPolarHBondContact O-CB 3.37Å; I713-C717 PolarHBondContact O-N 2.87Å; I713-C717 PolarHBondContact O-SG 3.42Å
714	A	92.9	Very high	86.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.3	-33.6	-179.7	0	0	0	0	0	112.5	M701 A710 R711 G718 I719 L720 V759	M701-A714 HydrophobicContact CE-CB 3.82Å; M701-A714 HydrophobicContact SD-CB 4.41Å; A710-A714 WeakPolarHBondContact O-CB 3.24Å; A710-A714 PolarHBondContact O-N 3.27Å; R711-A714 PolarHBondContact O-N 2.94Å; A714-G718 PolarHBondContact O-N 3.07Å; A714-I719 HydrophobicContact CB-CB 4.15Å; A714-I719 HydrophobicContact CB-CG2 4.49Å; A714-I719 WeakPolarHBondContact O-CB 3.11Å; A714-I719 PolarHBondContact O-N 2.99Å; A714-L720 HydrophobicContact CB-CD1 3.86Å; A714-L720 HydrophobicContact CB-CG 3.8Å; A714-L720 PolarHBondContact O-N 3.27Å; A714-V759 HydrophobicContact CB-CG2 3.59Å
715	T	91.7	Very high	87.2	Confident	74 Å²	74	52.6 Å²	52.6	45%	0.454	30%	0.299	S	S	.	.	H	α-helix	trans	-69.2	-46.9	172.6	-50	0	0	0	0	110.9	R711 A712 I713 C717 G718	R711-T715 WeakPolarHBondContact O-CB 3.19Å; R711-T715 PolarHBondContact O-N 3.25Å; R711-T715 PolarHBondContact O-OG1 3Å; A712-T715 PolarHBondContact O-N 2.99Å; I713-T715 VanDerWaalsContact C-N 3.26Å; I713-T715 PolarHBondContact O-N 2.93Å; T715-C717 VanDerWaalsContact C-N 3.27Å; T715-C717 PolarHBondContact O-N 3.44Å; T715-G718 PolarHBondContact O-N 3.44Å; T715-G718 VanDerWaalsContact O-N 3.11Å
716	K	89.9	Confident	87.8	Confident	100 Å²	100	54 Å²	54	44%	0.435	30%	0.303	S	S	.	.	H	α-helix	trans	-59.1	-36.8	175.9	-72.5	-179.8	179.9	-176.3	0	112.4	E678 V681 A712 I713 G718	E678-K716 VanDerWaalsContact CD-NZ 3.32Å; E678-K716 IonicContact OE1-NZ 3.56Å; E678-K716 PolarHBondContact OE1-NZ 3.29Å; E678-K716 VanDerWaalsContact OE1-NZ 3.12Å; E678-K716 IonicContact OE2-NZ 2.75Å; E678-K716 PolarHBondContact OE2-NZ 2.73Å; V681-K716 HydrophobicContact CG2-CB 4.16Å; A712-K716 WeakPolarHBondContact O-CG 3.3Å; A712-K716 PolarHBondContact O-N 3.4Å; I713-K716 HydrophobicContact CD1-CD 4.49Å; I713-K716 PolarHBondContact O-N 2.87Å; I713-K716 VanDerWaalsContact O-N 3.16Å; K716-G718 VanDerWaalsContact C-N 3.33Å
717	C	93	Very high	88.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-13.6	178.1	-71.5	0	0	0	0	114.3	V681 V685 I689 I713 T715 I719	V681-C717 VanDerWaalsContact CG1-SG 3.54Å; V685-C717 HydrophobicContact CG1-CB 4.29Å; I689-C717 HydrophobicContact CD1-CB 3.7Å; I689-C717 WeakPolarHBondContact CD1-O 3.47Å; I713-C717 WeakPolarHBondContact O-CB 3.37Å; I713-C717 PolarHBondContact O-N 2.87Å; I713-C717 PolarHBondContact O-SG 3.42Å; T715-C717 VanDerWaalsContact C-N 3.27Å; T715-C717 PolarHBondContact O-N 3.44Å; C717-I719 HydrophobicContact CB-CD1 4.21Å; C717-I719 HydrophobicContact CB-CG1 4.07Å
718	G	93.3	Very high	88.9	Confident	22 Å²	22	53.6 Å²	53.6	23%	0.227	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	75	21	-172.5	0	0	0	0	0	114.4	Q693 A714 T715 K716	Q693-G718 PolarHBondContact NE2-O 3.42Å; A714-G718 PolarHBondContact O-N 3.07Å; T715-G718 PolarHBondContact O-N 3.44Å; T715-G718 VanDerWaalsContact O-N 3.11Å; K716-G718 VanDerWaalsContact C-N 3.33Å
719	I	95.2	Very high	89.4	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.015	28%	0.284	C	S	.	.	S	Bend	trans	-76.1	-39.6	170.6	-62.5	174.6	0	0	0	109.9	L475 I689 V699 M701 A714 C717 R758	L475-I719 HydrophobicContact CD1-CD1 4.05Å; I689-I719 HydrophobicContact CD1-CD1 4.15Å; I689-I719 HydrophobicContact CD1-CG1 3.84Å; I689-I719 HydrophobicContact CG2-CG1 4.25Å; V699-I719 HydrophobicContact CG1-CD1 4.07Å; V699-I719 HydrophobicContact CG1-CG1 4.25Å; M701-I719 HydrophobicContact CB-CD1 4.17Å; M701-I719 HydrophobicContact CE-CD1 4.12Å; A714-I719 HydrophobicContact CB-CB 4.15Å; A714-I719 HydrophobicContact CB-CG2 4.49Å; A714-I719 WeakPolarHBondContact O-CB 3.11Å; A714-I719 PolarHBondContact O-N 2.99Å; C717-I719 HydrophobicContact CB-CD1 4.21Å; C717-I719 HydrophobicContact CB-CG1 4.07Å; I719-R758 HydrophobicContact CG2-CB 4.28Å
720	L	94	Very high	89.9	Confident	6 Å²	6	51.4 Å²	51.4	3%	0.031	29%	0.287	C	S	.	.	S	Bend	trans	-100	113	173.8	-59.5	-179.7	0	0	0	108.8	R711 A714 F726 R758 V759	R711-L720 HydrophobicContact CG-CD1 3.83Å; A714-L720 HydrophobicContact CB-CD1 3.86Å; A714-L720 HydrophobicContact CB-CG 3.8Å; A714-L720 PolarHBondContact O-N 3.27Å; L720-F726 HydrophobicContact CB-CE1 4.43Å; L720-F726 HydrophobicContact CD1-CE2 4.29Å; L720-F726 HydrophobicContact CD2-CB 4.02Å; L720-F726 HydrophobicContact CD2-CD1 4.17Å; L720-F726 HydrophobicContact CD2-CD2 3.68Å; L720-F726 HydrophobicContact CD2-CE2 4.15Å; L720-F726 HydrophobicContact CD2-CG 3.69Å; L720-R758 HydrophobicContact CD2-CB 3.62Å; L720-R758 HydrophobicContact CD2-CG 4.21Å; L720-V759 HydrophobicContact CD1-CG2 4.16Å; L720-V759 HydrophobicContact CD2-CG2 4.2Å; L720-V759 HydrophobicContact CG-CG2 4.32Å
721	L	87.9	Confident	89.9	Confident	69 Å²	69	51.5 Å²	51.5	36%	0.361	29%	0.288	S	S	.	.			trans	-94.8	130	175.8	-68.8	168.8	0	0	0	109.7	G723 E724	L721-G723 PolarHBondContact O-N 3.28Å; L721-E724 HydrophobicContact CB-CG 3.95Å; L721-E724 WeakPolarHBondContact CD1-OE1 3.42Å; L721-E724 PolarHBondContact O-N 3.31Å
722	P	81.8	Confident	89.9	Confident	123 Å²	123	54.7 Å²	54.7	80%	0.799	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	125.8	176.8	-20.9	31.5	0	0	0	111
723	G	79.6	Confident	90.2	Very high	87 Å²	87	58.3 Å²	58.3	90%	0.897	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.8	-5.3	179	0	0	0	0	0	115.7	L721	L721-G723 PolarHBondContact O-N 3.28Å
724	E	84.1	Confident	90.4	Very high	101 Å²	101	57.9 Å²	57.9	47%	0.472	32%	0.316	S	S	.	.	S	Bend	trans	-85.3	150.2	170.1	-68.8	-168.9	167.5	0	0	112.1	L721 F726	L721-E724 HydrophobicContact CB-CG 3.95Å; L721-E724 WeakPolarHBondContact CD1-OE1 3.42Å; L721-E724 PolarHBondContact O-N 3.31Å; E724-F726 HydrophobicContact CB-CD1 4.44Å; E724-F726 WeakPolarHBondContact O-CD1 3.25Å; E724-F726 WeakPolarHBondContact O-CE1 3.33Å; E724-F726 PolarHBondContact O-N 3.12Å
725	E	86.1	Confident	90.3	Very high	150 Å²	150	59.2 Å²	59.2	70%	0.701	32%	0.323	S	S	*	.			trans	-75.5	107.8	168.4	-73.4	-165.6	176.4	0	0	110.5	K756	E725-K756 IonicContact OE2-NZ 3.44Å; E725-K756 PolarHBondContact OE2-NZ 3.27Å
726	F	91.1	Very high	90.3	Very high	79 Å²	79	60.5 Å²	60.5	35%	0.346	33%	0.331	S	S	.	.			trans	-130.1	156.2	175.2	55.3	-103.1	0	0	0	111.9	L720 E724 R758	L720-F726 HydrophobicContact CB-CE1 4.43Å; L720-F726 HydrophobicContact CD1-CE2 4.29Å; L720-F726 HydrophobicContact CD2-CB 4.02Å; L720-F726 HydrophobicContact CD2-CD1 4.17Å; L720-F726 HydrophobicContact CD2-CD2 3.68Å; L720-F726 HydrophobicContact CD2-CE2 4.15Å; L720-F726 HydrophobicContact CD2-CG 3.69Å; E724-F726 HydrophobicContact CB-CD1 4.44Å; E724-F726 WeakPolarHBondContact O-CD1 3.25Å; E724-F726 WeakPolarHBondContact O-CE1 3.33Å; E724-F726 PolarHBondContact O-N 3.12Å; F726-R758 HydrophobicContact CB-CB 4.37Å; F726-R758 HydrophobicContact CB-CG 3.84Å
727	L	93.4	Very high	90.4	Very high	54 Å²	54	58.9 Å²	58.9	28%	0.283	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.8	176.3	-170.6	70.1	0	0	0	110.1	L729 V753 K756 L757 R758 V759	L727-L729 HydrophobicContact CD1-CD2 4.05Å; L727-L729 HydrophobicContact CD1-CG 4.45Å; L727-L729 HydrophobicContact CD2-CD1 3.75Å; L727-L729 HydrophobicContact CD2-CD2 4.17Å; L727-L729 HydrophobicContact CD2-CG 3.89Å; L727-L729 HydrophobicContact CG-CD1 4.31Å; L727-L729 HydrophobicContact CG-CD2 4.02Å; L727-L729 HydrophobicContact CG-CG 3.87Å; L727-V753 HydrophobicContact CD2-CG1 3.82Å; L727-K756 HydrophobicContact CB-CB 4.06Å; L727-K756 PolarHBondContact N-O 3.16Å; L727-L757 HydrophobicContact CD2-CD1 4.48Å; L727-L757 HydrophobicContact CG-CD1 4.49Å; L727-R758 PolarHBondContact O-N 2.99Å; L727-V759 PolarHBondContact O-N 3.41Å
728	C	94.3	Very high	90.3	Very high	18 Å²	18	58.9 Å²	58.9	12%	0.122	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	118.6	172.2	-61.6	0	0	0	0	107.7	I707 V759	I707-C728 HydrophobicContact CD1-CB 4.2Å; I707-C728 HydrophobicContact CG1-CB 4.44Å; C728-V759 WeakPolarHBondContact CA-O 3.33Å; C728-V759 HydrophobicContact CB-CB 4.17Å
729	L	94.8	Very high	90.2	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	151.7	-178.6	-63.9	178.6	0	0	0	111.2	L727 E733 F734 V753 L757 V759 L760 A761	L727-L729 HydrophobicContact CD1-CD2 4.05Å; L727-L729 HydrophobicContact CD1-CG 4.45Å; L727-L729 HydrophobicContact CD2-CD1 3.75Å; L727-L729 HydrophobicContact CD2-CD2 4.17Å; L727-L729 HydrophobicContact CD2-CG 3.89Å; L727-L729 HydrophobicContact CG-CD1 4.31Å; L727-L729 HydrophobicContact CG-CD2 4.02Å; L727-L729 HydrophobicContact CG-CG 3.87Å; L729-E733 HydrophobicContact CD2-CG 4.09Å; L729-F734 HydrophobicContact CB-CB 4.43Å; L729-F734 HydrophobicContact CD1-CB 4.28Å; L729-F734 HydrophobicContact CD1-CD2 4.35Å; L729-V753 HydrophobicContact CD1-CG1 3.66Å; L729-L757 HydrophobicContact CB-CD1 4.07Å; L729-L757 HydrophobicContact CD1-CD1 4.02Å; L729-L757 HydrophobicContact CG-CD1 3.93Å; L729-V759 PolarHBondContact N-O 3.35Å; L729-L760 HydrophobicContact CB-CD1 4.31Å; L729-L760 WeakPolarHBondContact O-CA 3.2Å; L729-A761 PolarHBondContact O-N 2.92Å
730	E	91.9	Very high	89.9	Confident	56 Å²	56	63.3 Å²	63.3	26%	0.262	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	152.5	160.9	-66.3	-163.2	152.4	0	0	110.7	I707 K732 E733 F734 A761 R762	I707-E730 HydrophobicContact CB-CG 3.91Å; I707-E730 HydrophobicContact CD1-CG 4.07Å; I707-E730 HydrophobicContact CG2-CG 4.25Å; E730-K732 PolarHBondContact O-N 3.4Å; E730-K732 VanDerWaalsContact O-N 3.15Å; E730-E733 PolarHBondContact O-N 3.15Å; E730-F734 PolarHBondContact O-N 3.5Å; E730-A761 CarbonylContact C-O 3.6Å; E730-A761 VanDerWaalsContact CA-O 3.3Å; E730-A761 WeakPolarHBondContact CA-O 3.3Å; E730-R762 IonicContact OE1-NE 3.88Å; E730-R762 PolarHBondContact OE1-NE 2.91Å
731	G	87.9	Confident	89.6	Confident	2 Å²	2	71 Å²	71	2%	0.021	38%	0.378	C	S	.	.	H	α-helix	trans	-53.9	-36.4	-177.7	0	0	0	0	0	114	N735 A761	G731-N735 WeakPolarHBondContact O-CB 3.46Å; G731-N735 PolarHBondContact O-N 3.04Å; G731-N735 PolarHBondContact O-ND2 3.48Å; G731-A761 PolarHBondContact N-O 3.16Å
732	K	89.6	Confident	89.2	Confident	174 Å²	174	76 Å²	76	76%	0.757	40%	0.397	S	S	*	.	H	α-helix	trans	-63.1	-46.8	175.2	-174.1	-179.8	178.4	-176.9	0	111.9	E730 N735 T736	E730-K732 PolarHBondContact O-N 3.4Å; E730-K732 VanDerWaalsContact O-N 3.15Å; K732-N735 PolarHBondContact O-N 3.11Å; K732-T736 PolarHBondContact O-N 3.11Å; K732-T736 PolarHBondContact O-OG1 3.07Å; K732-T736 VanDerWaalsContact O-OG1 3.11Å
733	E	92.8	Very high	89.2	Confident	96 Å²	96	71.7 Å²	71.7	45%	0.449	37%	0.374	S	S	.	.	H	α-helix	trans	-68	-41.2	-179.5	-168.8	179.8	174.8	0	0	111.3	L729 E730 N735 T736 Q737	L729-E733 HydrophobicContact CD2-CG 4.09Å; E730-E733 PolarHBondContact O-N 3.15Å; E733-N735 PolarHBondContact O-N 3.39Å; E733-T736 PolarHBondContact O-N 2.86Å; E733-Q737 WeakPolarHBondContact O-CG 3.3Å; E733-Q737 PolarHBondContact O-N 2.96Å; E733-Q737 PolarHBondContact OE1-NE2 3.05Å
734	F	93.8	Very high	89.5	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-55.5	-49.4	172.2	173.9	-110.7	0	0	0	111.7	L729 E730 T736 Q737 I738 L750 V753 L757 L760 D767 L771	L729-F734 HydrophobicContact CB-CB 4.43Å; L729-F734 HydrophobicContact CD1-CB 4.28Å; L729-F734 HydrophobicContact CD1-CD2 4.35Å; E730-F734 PolarHBondContact O-N 3.5Å; F734-T736 VanDerWaalsContact C-N 3.34Å; F734-T736 PolarHBondContact O-N 3.38Å; F734-Q737 PolarHBondContact O-N 3.3Å; F734-I738 HydrophobicContact CD1-CD1 4.01Å; F734-I738 HydrophobicContact CD2-CG2 4.09Å; F734-I738 HydrophobicContact CE1-CD1 3.53Å; F734-I738 HydrophobicContact CE2-CD1 4.25Å; F734-I738 HydrophobicContact CE2-CG2 3.79Å; F734-I738 HydrophobicContact CZ-CD1 3.66Å; F734-I738 HydrophobicContact CZ-CG2 4.21Å; F734-I738 WeakPolarHBondContact O-CG1 3.48Å; F734-I738 WeakPolarHBondContact O-CG2 3.41Å; F734-I738 PolarHBondContact O-N 3.43Å; F734-I738 VanDerWaalsContact O-N 3.08Å; F734-L750 HydrophobicContact CZ-CD1 4.48Å; F734-V753 HydrophobicContact CD2-CG1 4.37Å; F734-L757 HydrophobicContact CD2-CD2 4.3Å; F734-L757 HydrophobicContact CE2-CD2 4.24Å; F734-L760 HydrophobicContact CB-CD1 3.6Å; F734-L760 HydrophobicContact CD1-CD1 4.2Å; F734-L760 HydrophobicContact CD1-CD2 4.15Å; F734-L760 HydrophobicContact CD2-CD1 4.37Å; F734-L760 HydrophobicContact CE1-CD2 4.3Å; F734-L760 HydrophobicContact CG-CD1 3.82Å; F734-L760 HydrophobicContact CG-CD2 4.43Å; F734-D767 HydrophobicContact CD1-CB 4.48Å; F734-L771 HydrophobicContact CE2-CD1 4.25Å; F734-L771 HydrophobicContact CZ-CB 4.06Å; F734-L771 HydrophobicContact CZ-CD1 4.16Å
735	N	90.4	Very high	89.7	Confident	27 Å²	27	71.5 Å²	71.5	14%	0.144	35%	0.354	C	S	.	.	H	α-helix	trans	-60.9	-40.7	177.3	-84.1	-70.2	0	0	0	112.8	G731 K732 E733 Q737 R739 D767	G731-N735 WeakPolarHBondContact O-CB 3.46Å; G731-N735 PolarHBondContact O-N 3.04Å; G731-N735 PolarHBondContact O-ND2 3.48Å; K732-N735 PolarHBondContact O-N 3.11Å; E733-N735 PolarHBondContact O-N 3.39Å; N735-Q737 VanDerWaalsContact C-N 3.32Å; N735-Q737 PolarHBondContact O-N 3.47Å; N735-R739 VanDerWaalsContact O-CB 3.23Å; N735-R739 WeakPolarHBondContact O-CB 3.23Å; N735-R739 WeakPolarHBondContact O-CD 3.41Å; N735-R739 WeakPolarHBondContact O-CG 3.48Å; N735-R739 PolarHBondContact O-N 3.27Å; N735-R739 VanDerWaalsContact O-N 3.1Å; N735-R739 PolarHBondContact OD1-NE 3.21Å; N735-R739 PolarHBondContact OD1-NH2 2.67Å; N735-D767 PolarHBondContact ND2-OD1 3.2Å
736	T	91.4	Very high	89.9	Confident	101 Å²	101	67.6 Å²	67.6	62%	0.62	34%	0.336	S	S	*	.	H	α-helix	trans	-64.2	-37.7	177	-58.5	0	0	0	0	112	K732 E733 F734	K732-T736 PolarHBondContact O-N 3.11Å; K732-T736 PolarHBondContact O-OG1 3.07Å; K732-T736 VanDerWaalsContact O-OG1 3.11Å; E733-T736 PolarHBondContact O-N 2.86Å; F734-T736 VanDerWaalsContact C-N 3.34Å; F734-T736 PolarHBondContact O-N 3.38Å
737	Q	91.3	Very high	89.8	Confident	67 Å²	67	66.6 Å²	66.6	31%	0.313	33%	0.333	S	S	.	.	H	α-helix	trans	-73.8	-34.7	-178.9	-70.4	-176.9	28.3	0	0	113.1	E733 F734 N735 R749 V753	E733-Q737 WeakPolarHBondContact O-CG 3.3Å; E733-Q737 PolarHBondContact O-N 2.96Å; E733-Q737 PolarHBondContact OE1-NE2 3.05Å; F734-Q737 PolarHBondContact O-N 3.3Å; N735-Q737 VanDerWaalsContact C-N 3.32Å; N735-Q737 PolarHBondContact O-N 3.47Å; Q737-R749 WeakPolarHBondContact O-CB 3.41Å; Q737-R749 VanDerWaalsContact O-CD 3.27Å; Q737-R749 WeakPolarHBondContact O-CD 3.41Å; Q737-V753 HydrophobicContact CB-CG2 4.3Å
738	I	91.8	Very high	89.6	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-91.5	-17.7	-175.8	71.8	-177.7	0	0	0	113.9	F734 V745 E746 L750 T770	F734-I738 HydrophobicContact CD1-CD1 4.01Å; F734-I738 HydrophobicContact CD2-CG2 4.09Å; F734-I738 HydrophobicContact CE1-CD1 3.53Å; F734-I738 HydrophobicContact CE2-CD1 4.25Å; F734-I738 HydrophobicContact CE2-CG2 3.79Å; F734-I738 HydrophobicContact CZ-CD1 3.66Å; F734-I738 HydrophobicContact CZ-CG2 4.21Å; F734-I738 WeakPolarHBondContact O-CG1 3.48Å; F734-I738 WeakPolarHBondContact O-CG2 3.41Å; F734-I738 PolarHBondContact O-N 3.43Å; F734-I738 VanDerWaalsContact O-N 3.08Å; I738-V745 HydrophobicContact CD1-CG1 4.19Å; I738-V745 HydrophobicContact CD1-CG2 4.35Å; I738-V745 HydrophobicContact CG1-CG1 4.35Å; I738-E746 PolarHBondContact O-N 3.26Å; I738-L750 HydrophobicContact CB-CB 4.43Å; I738-L750 HydrophobicContact CG2-CB 4.06Å; I738-L750 HydrophobicContact CG2-CD1 4.45Å; I738-L750 HydrophobicContact CG2-CG 4.25Å; I738-T770 HydrophobicContact CD1-CG2 3.79Å
739	R	90.8	Very high	89.5	Confident	90 Å²	90	73.5 Å²	73.5	34%	0.34	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-94.6	149.4	-176.4	-66.5	174.7	-175.1	-119.9	7.9	112.1	N735 G743 E744 V745 R749	N735-R739 VanDerWaalsContact O-CB 3.23Å; N735-R739 WeakPolarHBondContact O-CB 3.23Å; N735-R739 WeakPolarHBondContact O-CD 3.41Å; N735-R739 WeakPolarHBondContact O-CG 3.48Å; N735-R739 PolarHBondContact O-N 3.27Å; N735-R739 VanDerWaalsContact O-N 3.1Å; N735-R739 PolarHBondContact OD1-NE 3.21Å; N735-R739 PolarHBondContact OD1-NH2 2.67Å; R739-G743 WeakPolarHBondContact CD-O 3.31Å; R739-G743 PolarHBondContact NH1-O 3.47Å; R739-E744 CarbonylContact C-O 3.57Å; R739-E744 WeakPolarHBondContact CA-O 3.34Å; R739-V745 HydrophobicContact CG-CG2 4.33Å; R739-R749 PolarHBondContact O-NH1 3.47Å
740	N	89.4	Confident	89.3	Confident	28 Å²	28	73.4 Å²	73.4	15%	0.15	36%	0.357	C	S	.	.			trans	-87.7	-179.3	173.2	69.4	10.2	0	0	0	112.4	K742 G743 E744 E746	N740-K742 PolarHBondContact O-N 2.93Å; N740-K742 VanDerWaalsContact O-N 3.1Å; N740-K742 WeakPolarHBondContact OD1-CA 3.29Å; N740-K742 WeakPolarHBondContact OD1-CB 3.38Å; N740-K742 PolarHBondContact OD1-N 3.41Å; N740-G743 PolarHBondContact O-N 3.11Å; N740-G743 PolarHBondContact OD1-N 2.91Å; N740-E744 PolarHBondContact N-O 3.05Å; N740-E744 PolarHBondContact OD1-N 3.32Å; N740-E744 PolarHBondContact OD1-O 3.48Å; N740-E746 HydrophobicContact CB-CG 3.95Å; N740-E746 WeakPolarHBondContact CB-OE1 3.14Å; N740-E746 PolarHBondContact ND2-OE1 3.05Å
741	D	86.4	Confident	89.3	Confident	167 Å²	167	71.7 Å²	71.7	89%	0.893	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-16.5	-179.4	-56.9	-35.9	0	0	0	113
742	K	81.1	Confident	89.5	Confident	174 Å²	174	78.4 Å²	78.4	76%	0.757	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-3.4	174.2	-58.1	-179.7	-179.9	178.4	0	113.1	N740 E744	N740-K742 PolarHBondContact O-N 2.93Å; N740-K742 VanDerWaalsContact O-N 3.1Å; N740-K742 WeakPolarHBondContact OD1-CA 3.29Å; N740-K742 WeakPolarHBondContact OD1-CB 3.38Å; N740-K742 PolarHBondContact OD1-N 3.41Å; K742-E744 VanDerWaalsContact C-N 3.34Å; K742-E744 HydrophobicContact CB-CG 4.46Å
743	G	81.1	Confident	89.6	Confident	32 Å²	32	70.6 Å²	70.6	33%	0.33	35%	0.346	S	S	.	.	S	Bend	trans	81.9	6.6	-179.6	0	0	0	0	0	115.2	R739 N740	R739-G743 WeakPolarHBondContact CD-O 3.31Å; R739-G743 PolarHBondContact NH1-O 3.47Å; N740-G743 PolarHBondContact O-N 3.11Å; N740-G743 PolarHBondContact OD1-N 2.91Å
744	E	86.1	Confident	89.5	Confident	121 Å²	121	66.7 Å²	66.7	57%	0.565	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-86.4	148.5	178.3	-60.7	174.1	153.5	0	0	110.9	R739 N740 K742 E746	R739-E744 CarbonylContact C-O 3.57Å; R739-E744 WeakPolarHBondContact CA-O 3.34Å; N740-E744 PolarHBondContact N-O 3.05Å; N740-E744 PolarHBondContact OD1-N 3.32Å; N740-E744 PolarHBondContact OD1-O 3.48Å; K742-E744 VanDerWaalsContact C-N 3.34Å; K742-E744 HydrophobicContact CB-CG 4.46Å; E744-E746 PolarHBondContact O-N 3.41Å
745	V	87.6	Confident	89.4	Confident	63 Å²	63	68.7 Å²	68.7	38%	0.382	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-77.6	120.2	179.9	179.7	0	0	0	0	109.9	I738 R739 L750 T770	I738-V745 HydrophobicContact CD1-CG1 4.19Å; I738-V745 HydrophobicContact CD1-CG2 4.35Å; I738-V745 HydrophobicContact CG1-CG1 4.35Å; R739-V745 HydrophobicContact CG-CG2 4.33Å; V745-L750 HydrophobicContact CG1-CD1 4.32Å; V745-T770 HydrophobicContact CG1-CG2 4Å; V745-T770 HydrophobicContact CG2-CG2 3.91Å
746	E	90.8	Very high	89.6	Confident	68 Å²	68	72.4 Å²	72.4	32%	0.318	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-95.8	117.5	173.7	-79	-179	-177.2	0	0	110.7	I738 N740 E744 E748 R749 L750	I738-E746 PolarHBondContact O-N 3.26Å; N740-E746 HydrophobicContact CB-CG 3.95Å; N740-E746 WeakPolarHBondContact CB-OE1 3.14Å; N740-E746 PolarHBondContact ND2-OE1 3.05Å; E744-E746 PolarHBondContact O-N 3.41Å; E746-E748 VanDerWaalsContact C-N 3.29Å; E746-E748 PolarHBondContact O-N 3.5Å; E746-R749 HydrophobicContact CB-CB 4.32Å; E746-R749 HydrophobicContact CB-CG 3.98Å; E746-R749 PolarHBondContact O-N 2.95Å; E746-R749 VanDerWaalsContact O-N 3.14Å; E746-R749 WeakPolarHBondContact OE2-CD 3.31Å; E746-R749 IonicContact OE2-CZ 3.11Å; E746-R749 IonicContact OE2-NE 2.74Å; E746-R749 PolarHBondContact OE2-NE 2.87Å; E746-R749 IonicContact OE2-NH2 2.7Å; E746-L750 PolarHBondContact O-N 3.17Å; E746-L750 VanDerWaalsContact O-N 3.16Å
747	Q	89.9	Confident	89.7	Confident	58 Å²	58	67.7 Å²	67.7	27%	0.271	33%	0.326	S	S	.	.	H	α-helix	trans	-58.6	-39	-178.7	-174	62.1	38.6	0	0	112.4	R749 L750 D751 G774	Q747-R749 VanDerWaalsContact C-N 3.28Å; Q747-R749 PolarHBondContact O-N 3.28Å; Q747-L750 WeakPolarHBondContact O-CB 3.47Å; Q747-L750 PolarHBondContact O-N 3.41Å; Q747-D751 PolarHBondContact NE2-OD1 3.44Å; Q747-D751 VanDerWaalsContact O-CB 3.32Å; Q747-D751 WeakPolarHBondContact O-CB 3.32Å; Q747-D751 VanDerWaalsContact O-CG 3.22Å; Q747-D751 PolarHBondContact O-N 3.37Å; Q747-G774 PolarHBondContact NE2-O 2.98Å
748	E	89.3	Confident	89.9	Confident	132 Å²	132	66.5 Å²	66.5	62%	0.617	32%	0.318	S	S	*	.	H	α-helix	trans	-63	-33.5	179.5	-161.1	-158.2	136.3	0	0	112.7	E746 K752	E746-E748 VanDerWaalsContact C-N 3.29Å; E746-E748 PolarHBondContact O-N 3.5Å; E748-K752 IonicContact OE1-NZ 3.85Å; E748-K752 PolarHBondContact OE1-NZ 3.14Å
749	R	91.3	Very high	90.1	Very high	85 Å²	85	66.5 Å²	66.5	32%	0.321	32%	0.318	S	S	.	.	H	α-helix	trans	-72.7	-43.1	175.2	-63.8	-170.3	-172.8	-160.9	-5.5	110.9	Q737 R739 E746 Q747 D751 K752	Q737-R749 WeakPolarHBondContact O-CB 3.41Å; Q737-R749 VanDerWaalsContact O-CD 3.27Å; Q737-R749 WeakPolarHBondContact O-CD 3.41Å; R739-R749 PolarHBondContact O-NH1 3.47Å; E746-R749 HydrophobicContact CB-CB 4.32Å; E746-R749 HydrophobicContact CB-CG 3.98Å; E746-R749 PolarHBondContact O-N 2.95Å; E746-R749 VanDerWaalsContact O-N 3.14Å; E746-R749 WeakPolarHBondContact OE2-CD 3.31Å; E746-R749 IonicContact OE2-CZ 3.11Å; E746-R749 IonicContact OE2-NE 2.74Å; E746-R749 PolarHBondContact OE2-NE 2.87Å; E746-R749 IonicContact OE2-NH2 2.7Å; Q747-R749 VanDerWaalsContact C-N 3.28Å; Q747-R749 PolarHBondContact O-N 3.28Å; R749-D751 VanDerWaalsContact C-N 3.27Å; R749-D751 PolarHBondContact O-N 3.36Å; R749-K752 PolarHBondContact O-N 3.46Å; R749-K752 VanDerWaalsContact O-N 3.16Å
750	L	91.4	Very high	90.3	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.3	-41.8	176.1	-168.4	149.6	0	0	0	111.1	F734 I738 V745 E746 Q747 K752 V753 W754 T770	F734-L750 HydrophobicContact CZ-CD1 4.48Å; I738-L750 HydrophobicContact CB-CB 4.43Å; I738-L750 HydrophobicContact CG2-CB 4.06Å; I738-L750 HydrophobicContact CG2-CD1 4.45Å; I738-L750 HydrophobicContact CG2-CG 4.25Å; V745-L750 HydrophobicContact CG1-CD1 4.32Å; E746-L750 PolarHBondContact O-N 3.17Å; E746-L750 VanDerWaalsContact O-N 3.16Å; Q747-L750 WeakPolarHBondContact O-CB 3.47Å; Q747-L750 PolarHBondContact O-N 3.41Å; L750-K752 PolarHBondContact O-N 2.9Å; L750-V753 PolarHBondContact O-N 2.98Å; L750-W754 HydrophobicContact CD2-CB 4.1Å; L750-W754 HydrophobicContact CD2-CG 4.14Å; L750-W754 VanDerWaalsContact O-CD1 3.25Å; L750-W754 PolarHBondContact O-N 3.37Å; L750-T770 HydrophobicContact CD1-CG2 4.39Å
751	D	91.7	Very high	90.4	Very high	20 Å²	20	60.9 Å²	60.9	11%	0.107	30%	0.295	C	S	.	.	H	α-helix	trans	-57.1	-28.1	176.3	-80.9	-8.6	0	0	0	114.1	Q747 R749 W754 P755 S778 V780	Q747-D751 PolarHBondContact NE2-OD1 3.44Å; Q747-D751 VanDerWaalsContact O-CB 3.32Å; Q747-D751 WeakPolarHBondContact O-CB 3.32Å; Q747-D751 VanDerWaalsContact O-CG 3.22Å; Q747-D751 PolarHBondContact O-N 3.37Å; R749-D751 VanDerWaalsContact C-N 3.27Å; R749-D751 PolarHBondContact O-N 3.36Å; D751-W754 PolarHBondContact OD1-NE1 2.96Å; D751-P755 VanDerWaalsContact O-CD 3.28Å; D751-P755 WeakPolarHBondContact O-CD 2.86Å; D751-P755 WeakPolarHBondContact O-CG 3.42Å; D751-S778 WeakPolarHBondContact OD1-CB 3.21Å; D751-S778 PolarHBondContact OD1-OG 3.16Å; D751-V780 HydrophobicContact CB-CG2 3.39Å; D751-V780 VanDerWaalsContact CG-CG2 3.48Å
752	K	90.8	Very high	90.2	Very high	144 Å²	144	59.4 Å²	59.4	63%	0.626	28%	0.277	S	S	*	.	H	α-helix	trans	-79.8	-21.3	174.5	-66.6	168.3	-170.6	166.5	0	112.9	E748 R749 L750	E748-K752 IonicContact OE1-NZ 3.85Å; E748-K752 PolarHBondContact OE1-NZ 3.14Å; R749-K752 PolarHBondContact O-N 3.46Å; R749-K752 VanDerWaalsContact O-N 3.16Å; L750-K752 PolarHBondContact O-N 2.9Å
753	V	91.8	Very high	90.4	Very high	9 Å²	9	51.7 Å²	51.7	6%	0.055	25%	0.245	C	C	.	.	H	α-helix	trans	-101.6	-52	-170.9	177.8	0	0	0	0	112.1	L727 L729 F734 Q737 L750 K756 L757	L727-V753 HydrophobicContact CD2-CG1 3.82Å; L729-V753 HydrophobicContact CD1-CG1 3.66Å; F734-V753 HydrophobicContact CD2-CG1 4.37Å; Q737-V753 HydrophobicContact CB-CG2 4.3Å; L750-V753 PolarHBondContact O-N 2.98Å; V753-K756 PolarHBondContact O-N 3.29Å; V753-L757 PolarHBondContact O-N 2.94Å; V753-L757 VanDerWaalsContact O-N 3.08Å
754	W	92	Very high	90.4	Very high	14 Å²	14	52.1 Å²	52.1	5%	0.053	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.3	-169.5	82.6	-96.4	0	0	0	115.9	R700 L750 D751 K756 L757 L771 I775 S778 V780 Q785	R700-W754 PolarHBondContact NE-O 3.44Å; R700-W754 PolarHBondContact NH2-O 3.35Å; L750-W754 HydrophobicContact CD2-CB 4.1Å; L750-W754 HydrophobicContact CD2-CG 4.14Å; L750-W754 VanDerWaalsContact O-CD1 3.25Å; L750-W754 PolarHBondContact O-N 3.37Å; D751-W754 PolarHBondContact OD1-NE1 2.96Å; W754-K756 VanDerWaalsContact C-N 3.31Å; W754-K756 PolarHBondContact O-N 3.42Å; W754-L757 PolarHBondContact O-N 3.21Å; W754-L771 HydrophobicContact CB-CD1 4.22Å; W754-I775 HydrophobicContact CB-CG1 4.17Å; W754-I775 HydrophobicContact CD2-CG1 3.99Å; W754-I775 HydrophobicContact CE3-CD1 4.41Å; W754-I775 HydrophobicContact CE3-CG1 3.82Å; W754-I775 HydrophobicContact CE3-CG2 4.1Å; W754-I775 HydrophobicContact CG-CG1 4.13Å; W754-I775 HydrophobicContact CZ3-CG2 4.04Å; W754-S778 PolarHBondContact NE1-OG 3.19Å; W754-V780 HydrophobicContact CZ2-CB 4.42Å; W754-Q785 HydrophobicContact CH2-CG 3.78Å; W754-Q785 HydrophobicContact CZ2-CG 4.42Å; W754-Q785 HydrophobicContact CZ3-CG 4.4Å
755	P	92.1	Very high	90	Very high	43 Å²	43	48.6 Å²	48.6	28%	0.279	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-36.8	-179.5	-24.3	36.2	0	0	0	112.4	D751 R758 V780	D751-P755 VanDerWaalsContact O-CD 3.28Å; D751-P755 WeakPolarHBondContact O-CD 2.86Å; D751-P755 WeakPolarHBondContact O-CG 3.42Å; P755-R758 PolarHBondContact O-NH1 3.13Å; P755-V780 HydrophobicContact CG-CG1 4.43Å
756	K	92.6	Very high	89.8	Confident	104 Å²	104	49.8 Å²	49.8	45%	0.452	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-21.2	178.4	-60.4	-167.4	-176.2	-164.8	0	113	E725 L727 V753 W754 R758	E725-K756 IonicContact OE2-NZ 3.44Å; E725-K756 PolarHBondContact OE2-NZ 3.27Å; L727-K756 HydrophobicContact CB-CB 4.06Å; L727-K756 PolarHBondContact N-O 3.16Å; V753-K756 PolarHBondContact O-N 3.29Å; W754-K756 VanDerWaalsContact C-N 3.31Å; W754-K756 PolarHBondContact O-N 3.42Å; K756-R758 PolarHBondContact O-N 2.96Å
757	L	94.9	Very high	89.7	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	121.3	178.8	-169.3	64.4	0	0	0	111.1	R700 L727 L729 F734 V753 W754 V759 L760 L771	R700-L757 WeakPolarHBondContact CD-O 3.43Å; R700-L757 PolarHBondContact NE-O 3.11Å; R700-L757 VanDerWaalsContact NE-O 3.07Å; L727-L757 HydrophobicContact CD2-CD1 4.48Å; L727-L757 HydrophobicContact CG-CD1 4.49Å; L729-L757 HydrophobicContact CB-CD1 4.07Å; L729-L757 HydrophobicContact CD1-CD1 4.02Å; L729-L757 HydrophobicContact CG-CD1 3.93Å; F734-L757 HydrophobicContact CD2-CD2 4.3Å; F734-L757 HydrophobicContact CE2-CD2 4.24Å; V753-L757 PolarHBondContact O-N 2.94Å; V753-L757 VanDerWaalsContact O-N 3.08Å; W754-L757 PolarHBondContact O-N 3.21Å; L757-V759 WeakPolarHBondContact CD1-O 3.23Å; L757-L760 HydrophobicContact CD2-CB 4.41Å; L757-L771 HydrophobicContact CD2-CD1 3.89Å; L757-L771 HydrophobicContact CD2-CD2 4.14Å
758	R	95.8	Very high	89.7	Confident	42 Å²	42	45 Å²	45	16%	0.158	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	-29.9	175.3	-68.1	-65.7	175.8	-83.3	-4	112.8	T698 R700 M701 I719 L720 F726 L727 P755 K756	T698-R758 VanDerWaalsContact CG2-CZ 3.49Å; R700-R758 CarbonylContact C-O 3.57Å; R700-R758 WeakPolarHBondContact CA-O 3.1Å; M701-R758 PolarHBondContact N-O 2.89Å; I719-R758 HydrophobicContact CG2-CB 4.28Å; L720-R758 HydrophobicContact CD2-CB 3.62Å; L720-R758 HydrophobicContact CD2-CG 4.21Å; F726-R758 HydrophobicContact CB-CB 4.37Å; F726-R758 HydrophobicContact CB-CG 3.84Å; L727-R758 PolarHBondContact O-N 2.99Å; P755-R758 PolarHBondContact O-NH1 3.13Å; K756-R758 PolarHBondContact O-N 2.96Å
759	V	95.8	Very high	89.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	122.2	178.5	-178.9	0	0	0	0	109.3	M701 A710 A714 L720 L727 C728 L729 L757	M701-V759 HydrophobicContact CB-CG2 4.44Å; M701-V759 CarbonylContact O-C 3.56Å; M701-V759 WeakPolarHBondContact O-CA 3.03Å; A710-V759 HydrophobicContact CB-CG1 3.57Å; A714-V759 HydrophobicContact CB-CG2 3.59Å; L720-V759 HydrophobicContact CD1-CG2 4.16Å; L720-V759 HydrophobicContact CD2-CG2 4.2Å; L720-V759 HydrophobicContact CG-CG2 4.32Å; L727-V759 PolarHBondContact O-N 3.41Å; C728-V759 WeakPolarHBondContact CA-O 3.33Å; C728-V759 HydrophobicContact CB-CB 4.17Å; L729-V759 PolarHBondContact N-O 3.35Å; L757-V759 WeakPolarHBondContact CD1-O 3.23Å
760	L	95.3	Very high	89.7	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	107.6	167.1	-176.8	62.4	0	0	0	108.2	M701 V702 T703 L729 F734 L757 D767 L771	M701-L760 PolarHBondContact O-N 3.21Å; V702-L760 WeakPolarHBondContact CA-O 3.31Å; V702-L760 HydrophobicContact CG1-CB 4.24Å; V702-L760 HydrophobicContact CG1-CD2 4.09Å; V702-L760 HydrophobicContact CG1-CG 4.44Å; V702-L760 HydrophobicContact CG2-CB 4.46Å; T703-L760 PolarHBondContact N-O 2.93Å; L729-L760 HydrophobicContact CB-CD1 4.31Å; L729-L760 WeakPolarHBondContact O-CA 3.2Å; F734-L760 HydrophobicContact CB-CD1 3.6Å; F734-L760 HydrophobicContact CD1-CD1 4.2Å; F734-L760 HydrophobicContact CD1-CD2 4.15Å; F734-L760 HydrophobicContact CD2-CD1 4.37Å; F734-L760 HydrophobicContact CE1-CD2 4.3Å; F734-L760 HydrophobicContact CG-CD1 3.82Å; F734-L760 HydrophobicContact CG-CD2 4.43Å; L757-L760 HydrophobicContact CD2-CB 4.41Å; L760-D767 HydrophobicContact CD2-CB 4.36Å; L760-L771 HydrophobicContact CD2-CD2 4.01Å
761	A	90	Very high	89.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	161.7	-176.7	0	0	0	0	0	111.3	T703 D705 I707 A710 L729 E730 G731 S763	T703-A761 CarbonylContact O-C 3.5Å; T703-A761 VanDerWaalsContact O-C 3.27Å; T703-A761 WeakPolarHBondContact O-CA 3.36Å; D705-A761 WeakPolarHBondContact O-CB 3.47Å; I707-A761 VanDerWaalsContact CA-CB 3.47Å; I707-A761 HydrophobicContact CB-CB 3.86Å; I707-A761 HydrophobicContact CG1-CB 4.2Å; A710-A761 HydrophobicContact CB-CB 4.06Å; L729-A761 PolarHBondContact O-N 2.92Å; E730-A761 CarbonylContact C-O 3.6Å; E730-A761 VanDerWaalsContact CA-O 3.3Å; E730-A761 WeakPolarHBondContact CA-O 3.3Å; G731-A761 PolarHBondContact N-O 3.16Å; A761-S763 PolarHBondContact O-N 3.25Å
762	R	83.6	Confident	89.9	Confident	136 Å²	136	37.9 Å²	37.9	51%	0.513	19%	0.187	S	C	.	.	S	Bend	trans	45.4	35.8	-172.8	-60.6	-171.4	-177	-127.3	-1.6	112.8	T703 D705 N706 E730	T703-R762 PolarHBondContact O-N 3.07Å; D705-R762 PolarHBondContact O-N 2.82Å; N706-R762 PolarHBondContact ND2-NH2 2.88Å; E730-R762 IonicContact OE1-NE 3.88Å; E730-R762 PolarHBondContact OE1-NE 2.91Å
763	S	84.8	Confident	89.9	Confident	11 Å²	11	35.5 Å²	35.5	8%	0.077	18%	0.177	C	C	.	.			trans	-74.2	132.9	-178.1	67.8	0	0	0	0	110.2	T703 A761	T703-S763 VanDerWaalsContact C-OG 3.28Å; T703-S763 PolarHBondContact O-N 3.29Å; T703-S763 PolarHBondContact O-OG 2.94Å; A761-S763 PolarHBondContact O-N 3.25Å
764	S	80.3	Confident	89.9	Confident	41 Å²	41	35.1 Å²	35.1	29%	0.287	18%	0.175	S	C	.	.			trans	-78.9	163	164.9	66.5	0	0	0	0	111.2	T766 D767 K768	S764-T766 PolarHBondContact O-N 3.21Å; S764-T766 PolarHBondContact OG-OG1 3.4Å; S764-D767 WeakPolarHBondContact CB-OD2 3.47Å; S764-D767 PolarHBondContact N-OD2 3.42Å; S764-D767 WeakPolarHBondContact O-CB 3.3Å; S764-D767 PolarHBondContact O-N 2.99Å; S764-D767 PolarHBondContact OG-N 3.01Å; S764-D767 PolarHBondContact OG-OD1 2.93Å; S764-D767 PolarHBondContact OG-OD2 2.92Å; S764-K768 PolarHBondContact O-N 2.75Å; S764-K768 VanDerWaalsContact O-N 3.16Å
765	P	79.3	Confident	90	Very high	48 Å²	48	34.5 Å²	34.5	31%	0.312	17%	0.173	S	C	.	.	H	α-helix	trans	-51.4	-40.7	173.7	-29.8	37	0	0	0	113.5	K768 H769 N795	P765-K768 WeakPolarHBondContact O-CB 3.32Å; P765-K768 PolarHBondContact O-N 3.39Å; P765-H769 PolarHBondContact O-N 3.05Å; P765-H769 VanDerWaalsContact O-N 3.09Å; P765-N795 WeakPolarHBondContact CB-O 3.45Å; P765-N795 HydrophobicContact CG-CB 3.81Å
766	T	82.6	Confident	89.9	Confident	87 Å²	87	32.9 Å²	32.9	53%	0.534	16%	0.162	S	C	.	.	H	α-helix	trans	-67.8	-34.4	178.7	46	0	0	0	0	112.1	S764 H769 T770	S764-T766 PolarHBondContact O-N 3.21Å; S764-T766 PolarHBondContact OG-OG1 3.4Å; T766-H769 PolarHBondContact O-N 3.31Å; T766-T770 WeakPolarHBondContact O-CB 3.39Å; T766-T770 PolarHBondContact O-N 3Å; T766-T770 PolarHBondContact O-OG1 3.2Å
767	D	88.8	Confident	89.7	Confident	6 Å²	6	31.6 Å²	31.6	3%	0.032	16%	0.16	C	C	.	.	H	α-helix	trans	-65.2	-41.3	174.4	-57.6	-30.4	0	0	0	111.1	F734 N735 L760 S764 T770 L771	F734-D767 HydrophobicContact CD1-CB 4.48Å; N735-D767 PolarHBondContact ND2-OD1 3.2Å; L760-D767 HydrophobicContact CD2-CB 4.36Å; S764-D767 WeakPolarHBondContact CB-OD2 3.47Å; S764-D767 PolarHBondContact N-OD2 3.42Å; S764-D767 WeakPolarHBondContact O-CB 3.3Å; S764-D767 PolarHBondContact O-N 2.99Å; S764-D767 PolarHBondContact OG-N 3.01Å; S764-D767 PolarHBondContact OG-OD1 2.93Å; S764-D767 PolarHBondContact OG-OD2 2.92Å; D767-T770 PolarHBondContact O-N 3.37Å; D767-L771 WeakPolarHBondContact O-CB 3.39Å; D767-L771 PolarHBondContact O-N 3.34Å
768	K	89.3	Confident	89.4	Confident	19 Å²	19	31.8 Å²	31.8	8%	0.083	16%	0.161	C	C	.	.	H	α-helix	trans	-59.4	-50.6	175.4	-54.7	-156.3	176.3	-176.1	0	110.6	D470 V702 S764 P765 T770 L771 V772 D796 A799	D470-K768 IonicContact OD1-NZ 2.65Å; D470-K768 PolarHBondContact OD1-NZ 2.94Å; V702-K768 HydrophobicContact CG1-CB 4.31Å; V702-K768 HydrophobicContact CG1-CD 3.93Å; V702-K768 HydrophobicContact CG1-CG 3.61Å; S764-K768 PolarHBondContact O-N 2.75Å; S764-K768 VanDerWaalsContact O-N 3.16Å; P765-K768 WeakPolarHBondContact O-CB 3.32Å; P765-K768 PolarHBondContact O-N 3.39Å; K768-T770 PolarHBondContact O-N 3.07Å; K768-L771 PolarHBondContact O-N 3.43Å; K768-V772 VanDerWaalsContact O-CG2 3.26Å; K768-V772 WeakPolarHBondContact O-CG2 3.33Å; K768-V772 PolarHBondContact O-N 3.36Å; K768-D796 WeakPolarHBondContact CD-OD1 3.47Å; K768-D796 WeakPolarHBondContact CE-OD1 3.41Å; K768-D796 IonicContact NZ-OD1 3.37Å; K768-D796 PolarHBondContact NZ-OD1 3.46Å; K768-A799 HydrophobicContact CB-CB 3.91Å
769	H	89.1	Confident	88.8	Confident	58 Å²	58	35.4 Å²	35.4	27%	0.269	19%	0.188	S	C	.	.	H	α-helix	trans	-59.3	-45.8	177.8	177	86.1	0	0	0	112	P765 T766 L771 V772 K773 P798	P765-H769 PolarHBondContact O-N 3.05Å; P765-H769 VanDerWaalsContact O-N 3.09Å; T766-H769 PolarHBondContact O-N 3.31Å; H769-L771 PolarHBondContact O-N 2.89Å; H769-V772 PolarHBondContact O-N 3.22Å; H769-K773 WeakPolarHBondContact O-CB 3.29Å; H769-K773 PolarHBondContact O-N 3.25Å; H769-P798 HydrophobicContact CB-CB 4.5Å; H769-P798 PolarHBondContact ND1-O 2.94Å
770	T	91.3	Very high	88.3	Confident	26 Å²	26	39.5 Å²	39.5	16%	0.16	21%	0.213	C	C	.	.	H	α-helix	trans	-62.8	-43.1	-179.7	-56.7	0	0	0	0	111.6	I738 V745 L750 T766 D767 K768 G774	I738-T770 HydrophobicContact CD1-CG2 3.79Å; V745-T770 HydrophobicContact CG1-CG2 4Å; V745-T770 HydrophobicContact CG2-CG2 3.91Å; L750-T770 HydrophobicContact CD1-CG2 4.39Å; T766-T770 WeakPolarHBondContact O-CB 3.39Å; T766-T770 PolarHBondContact O-N 3Å; T766-T770 PolarHBondContact O-OG1 3.2Å; D767-T770 PolarHBondContact O-N 3.37Å; K768-T770 PolarHBondContact O-N 3.07Å; T770-G774 PolarHBondContact O-N 3.33Å
771	L	94	Very high	87.5	Confident	1 Å²	1	41 Å²	41	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-47.3	175.8	177.4	62.7	0	0	0	111.4	V702 F734 W754 L757 L760 D767 K768 H769 G774 I775	V702-L771 HydrophobicContact CG2-CD2 3.85Å; F734-L771 HydrophobicContact CE2-CD1 4.25Å; F734-L771 HydrophobicContact CZ-CB 4.06Å; F734-L771 HydrophobicContact CZ-CD1 4.16Å; W754-L771 HydrophobicContact CB-CD1 4.22Å; L757-L771 HydrophobicContact CD2-CD1 3.89Å; L757-L771 HydrophobicContact CD2-CD2 4.14Å; L760-L771 HydrophobicContact CD2-CD2 4.01Å; D767-L771 WeakPolarHBondContact O-CB 3.39Å; D767-L771 PolarHBondContact O-N 3.34Å; K768-L771 PolarHBondContact O-N 3.43Å; H769-L771 PolarHBondContact O-N 2.89Å; L771-G774 PolarHBondContact O-N 3.27Å; L771-I775 HydrophobicContact CD1-CD1 3.88Å; L771-I775 HydrophobicContact CD1-CG1 4.17Å; L771-I775 HydrophobicContact CG-CD1 3.93Å; L771-I775 VanDerWaalsContact O-CG1 3.25Å; L771-I775 WeakPolarHBondContact O-CG1 3.24Å; L771-I775 PolarHBondContact O-N 2.78Å
772	V	93.6	Very high	86.7	Confident	3 Å²	3	50 Å²	50	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-62.1	-50.3	-179.6	171.1	0	0	0	0	110.7	C468 K768 H769 G774 I775 I776 V787 V789 A799 A803	C468-V772 HydrophobicContact CB-CG2 4.46Å; K768-V772 VanDerWaalsContact O-CG2 3.26Å; K768-V772 WeakPolarHBondContact O-CG2 3.33Å; K768-V772 PolarHBondContact O-N 3.36Å; H769-V772 PolarHBondContact O-N 3.22Å; V772-G774 VanDerWaalsContact C-N 3.33Å; V772-G774 PolarHBondContact O-N 3.16Å; V772-I775 PolarHBondContact O-N 3.4Å; V772-I776 HydrophobicContact CG1-CD1 3.88Å; V772-I776 WeakPolarHBondContact O-CG1 3.49Å; V772-I776 PolarHBondContact O-N 2.81Å; V772-I776 VanDerWaalsContact O-N 3.08Å; V772-V787 HydrophobicContact CG1-CG1 4.18Å; V772-V789 HydrophobicContact CB-CG2 4.39Å; V772-V789 HydrophobicContact CG1-CG2 4Å; V772-V789 HydrophobicContact CG2-CG2 3.44Å; V772-V789 VanDerWaalsContact CG2-CG2 3.44Å; V772-A799 HydrophobicContact CG2-CB 4.46Å; V772-A803 HydrophobicContact CG1-CB 4.33Å
773	K	91.9	Very high	86.3	Confident	94 Å²	94	46.3 Å²	46.3	41%	0.409	26%	0.26	S	S	.	.	H	α-helix	trans	-57.1	-47.5	175.5	-179.4	178.9	176.8	-172.8	0	111.2	H769 I775 I776 D777 K802	H769-K773 WeakPolarHBondContact O-CB 3.29Å; H769-K773 PolarHBondContact O-N 3.25Å; K773-I775 VanDerWaalsContact C-N 3.34Å; K773-I775 PolarHBondContact O-N 2.94Å; K773-I776 PolarHBondContact O-N 3.35Å; K773-I776 VanDerWaalsContact O-N 3.17Å; K773-D777 VanDerWaalsContact CE-OD2 3.27Å; K773-D777 WeakPolarHBondContact CE-OD2 3.39Å; K773-D777 VanDerWaalsContact CG-OD2 3.25Å; K773-D777 WeakPolarHBondContact CG-OD2 3.38Å; K773-D777 WeakPolarHBondContact O-CB 3.4Å; K773-D777 VanDerWaalsContact O-CG 3.28Å; K773-D777 PolarHBondContact O-N 3.46Å; K773-K802 HydrophobicContact CB-CG 4.33Å
774	G	91.6	Very high	86.3	Confident	2 Å²	2	49.9 Å²	49.9	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-62.6	-35.6	-179.8	0	0	0	0	0	113.8	Q747 T770 L771 V772 S778	Q747-G774 PolarHBondContact NE2-O 2.98Å; T770-G774 PolarHBondContact O-N 3.33Å; L771-G774 PolarHBondContact O-N 3.27Å; V772-G774 VanDerWaalsContact C-N 3.33Å; V772-G774 PolarHBondContact O-N 3.16Å; G774-S778 VanDerWaalsContact O-CB 3.32Å; G774-S778 WeakPolarHBondContact O-CB 3.4Å; G774-S778 PolarHBondContact O-N 3.12Å
775	I	93.4	Very high	86.8	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-69.8	-40	174.8	-64.4	164.8	0	0	0	110.9	W754 L771 V772 K773 S778 Q785 V787	W754-I775 HydrophobicContact CB-CG1 4.17Å; W754-I775 HydrophobicContact CD2-CG1 3.99Å; W754-I775 HydrophobicContact CE3-CD1 4.41Å; W754-I775 HydrophobicContact CE3-CG1 3.82Å; W754-I775 HydrophobicContact CE3-CG2 4.1Å; W754-I775 HydrophobicContact CG-CG1 4.13Å; W754-I775 HydrophobicContact CZ3-CG2 4.04Å; L771-I775 HydrophobicContact CD1-CD1 3.88Å; L771-I775 HydrophobicContact CD1-CG1 4.17Å; L771-I775 HydrophobicContact CG-CD1 3.93Å; L771-I775 VanDerWaalsContact O-CG1 3.25Å; L771-I775 WeakPolarHBondContact O-CG1 3.24Å; L771-I775 PolarHBondContact O-N 2.78Å; V772-I775 PolarHBondContact O-N 3.4Å; K773-I775 VanDerWaalsContact C-N 3.34Å; K773-I775 PolarHBondContact O-N 2.94Å; I775-S778 WeakPolarHBondContact O-CB 3.29Å; I775-S778 PolarHBondContact O-N 3.02Å; I775-Q785 HydrophobicContact CG2-CB 3.78Å; I775-Q785 HydrophobicContact CG2-CG 4.02Å; I775-V787 HydrophobicContact CB-CG2 3.89Å; I775-V787 HydrophobicContact CG2-CG2 3.38Å
776	I	89.8	Confident	87.3	Confident	10 Å²	10	47 Å²	47	5%	0.051	25%	0.25	C	S	.	.	H	α-helix	trans	-64.7	-42.4	178.2	-69.2	168.7	0	0	0	111	V772 K773 S778 V787 K802	V772-I776 HydrophobicContact CG1-CD1 3.88Å; V772-I776 WeakPolarHBondContact O-CG1 3.49Å; V772-I776 PolarHBondContact O-N 2.81Å; V772-I776 VanDerWaalsContact O-N 3.08Å; K773-I776 PolarHBondContact O-N 3.35Å; K773-I776 VanDerWaalsContact O-N 3.17Å; I776-S778 VanDerWaalsContact C-N 3.31Å; I776-V787 HydrophobicContact CD1-CB 4.43Å; I776-V787 HydrophobicContact CG1-CB 4.08Å; I776-V787 HydrophobicContact CG1-CG2 3.72Å; I776-K802 WeakPolarHBondContact CD1-O 3.26Å
777	D	88.5	Confident	87.9	Confident	76 Å²	76	42.8 Å²	42.8	41%	0.406	23%	0.225	S	C	.	.	H	α-helix	trans	-83.5	-7	-177.3	-62.1	-14.4	0	0	0	112.3	K773	K773-D777 VanDerWaalsContact CE-OD2 3.27Å; K773-D777 WeakPolarHBondContact CE-OD2 3.39Å; K773-D777 VanDerWaalsContact CG-OD2 3.25Å; K773-D777 WeakPolarHBondContact CG-OD2 3.38Å; K773-D777 WeakPolarHBondContact O-CB 3.4Å; K773-D777 VanDerWaalsContact O-CG 3.28Å; K773-D777 PolarHBondContact O-N 3.46Å
778	S	88.5	Confident	88.3	Confident	7 Å²	7	42.6 Å²	42.6	5%	0.049	22%	0.224	C	C	.	.			trans	-68.8	139.4	-176.9	-171.9	0	0	0	0	112.9	D751 W754 G774 I775 I776 V780	D751-S778 WeakPolarHBondContact OD1-CB 3.21Å; D751-S778 PolarHBondContact OD1-OG 3.16Å; W754-S778 PolarHBondContact NE1-OG 3.19Å; G774-S778 VanDerWaalsContact O-CB 3.32Å; G774-S778 WeakPolarHBondContact O-CB 3.4Å; G774-S778 PolarHBondContact O-N 3.12Å; I775-S778 WeakPolarHBondContact O-CB 3.29Å; I775-S778 PolarHBondContact O-N 3.02Å; I776-S778 VanDerWaalsContact C-N 3.31Å; S778-V780 PolarHBondContact OG-N 3.38Å
779	T	82.9	Confident	88.5	Confident	117 Å²	117	42 Å²	42	72%	0.718	22%	0.221	S	C	*	.			trans	-111.5	7.1	177.6	58.3	0	0	0	0	113.6	A781	T779-A781 VanDerWaalsContact C-N 3.29Å; T779-A781 PolarHBondContact O-N 3.34Å
780	V	85.1	Confident	88.8	Confident	86 Å²	86	39.2 Å²	39.2	52%	0.521	21%	0.209	S	C	.	.	S	Bend	trans	-62.4	-36.7	-178.5	176.1	0	0	0	0	112.1	D751 W754 P755 S778	D751-V780 HydrophobicContact CB-CG2 3.39Å; D751-V780 VanDerWaalsContact CG-CG2 3.48Å; W754-V780 HydrophobicContact CZ2-CB 4.42Å; P755-V780 HydrophobicContact CG-CG1 4.43Å; S778-V780 PolarHBondContact OG-N 3.38Å
781	A	79.2	Confident	88.5	Confident	33 Å²	33	38 Å²	38	27%	0.273	20%	0.201	S	C	.	.	S	Bend	trans	-90.1	145.7	173.5	0	0	0	0	0	109.9	T779 T783	T779-A781 VanDerWaalsContact C-N 3.29Å; T779-A781 PolarHBondContact O-N 3.34Å; A781-T783 PolarHBondContact O-N 3.03Å
782	E	72.6	Confident	87.8	Confident	188 Å²	188	39 Å²	39	88%	0.879	21%	0.207	S	C	*	.	S	Bend	trans	-55.6	-23.3	177.4	-67.9	-176.7	171.6	0	0	113.7
783	T	76.2	Confident	86.9	Confident	60 Å²	60	39.5 Å²	39.5	37%	0.368	21%	0.212	S	C	.	.	S	Bend	trans	-120.8	137.2	179.7	58.8	0	0	0	0	111	A781 Q785	A781-T783 PolarHBondContact O-N 3.03Å; T783-Q785 PolarHBondContact O-N 3Å; T783-Q785 PolarHBondContact O-NE2 3.39Å
784	R	85.4	Confident	85.8	Confident	85 Å²	85	35.3 Å²	35.3	32%	0.321	20%	0.195	S	C	.	.			trans	-50.7	132.7	169.9	-177.7	-176.4	174.9	-87.7	17.6	110.3	D804	R784-D804 IonicContact CZ-OD1 2.64Å; R784-D804 VanDerWaalsContact CZ-OD1 3.28Å; R784-D804 IonicContact NH1-OD1 3.3Å; R784-D804 PolarHBondContact NH1-OD1 3.49Å; R784-D804 IonicContact NH1-OD2 2.78Å; R784-D804 PolarHBondContact NH1-OD2 2.97Å; R784-D804 IonicContact NH2-OD1 3.55Å; R784-D804 PolarHBondContact NH2-OD1 3.22Å
785	Q	89.1	Confident	85	Confident	23 Å²	23	39.3 Å²	39.3	11%	0.107	22%	0.215	C	C	.	.			trans	-72.9	149.3	177.4	-60.2	-56.8	-63.8	0	0	110.7	T465 W754 I775 T783 V787	T465-Q785 PolarHBondContact OG1-OE1 2.89Å; W754-Q785 HydrophobicContact CH2-CG 3.78Å; W754-Q785 HydrophobicContact CZ2-CG 4.42Å; W754-Q785 HydrophobicContact CZ3-CG 4.4Å; I775-Q785 HydrophobicContact CG2-CB 3.78Å; I775-Q785 HydrophobicContact CG2-CG 4.02Å; T783-Q785 PolarHBondContact O-N 3Å; T783-Q785 PolarHBondContact O-NE2 3.39Å; Q785-V787 HydrophobicContact CB-CG2 4.35Å
786	V	91.4	Very high	84.4	Confident	5 Å²	5	39.5 Å²	39.5	3%	0.03	22%	0.216	C	C	.	.			trans	-112.2	111.5	171.3	178.8	0	0	0	0	107.1	T460 N463 T465 A466 D804 R914	T460-V786 HydrophobicContact CG2-CG1 3.84Å; N463-V786 HydrophobicContact CB-CG2 4.13Å; N463-V786 WeakPolarHBondContact O-CB 3.37Å; T465-V786 PolarHBondContact N-O 3.02Å; T465-V786 PolarHBondContact OG1-N 3.43Å; T465-V786 VanDerWaalsContact OG1-N 3.08Å; T465-V786 PolarHBondContact OG1-O 2.54Å; A466-V786 PolarHBondContact N-O 3.24Å; V786-D804 VanDerWaalsContact CA-OD2 3.31Å; V786-D804 WeakPolarHBondContact CA-OD2 3.24Å; V786-D804 HydrophobicContact CG1-CB 3.9Å; V786-R914 HydrophobicContact CG2-CG 4.39Å
787	V	94.4	Very high	84	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118.1	-170	-173.5	0	0	0	0	109.6	A466 V772 I775 I776 Q785 V789 D804 V805	A466-V787 HydrophobicContact CB-CG2 4.48Å; V772-V787 HydrophobicContact CG1-CG1 4.18Å; I775-V787 HydrophobicContact CB-CG2 3.89Å; I775-V787 HydrophobicContact CG2-CG2 3.38Å; I776-V787 HydrophobicContact CD1-CB 4.43Å; I776-V787 HydrophobicContact CG1-CB 4.08Å; I776-V787 HydrophobicContact CG1-CG2 3.72Å; Q785-V787 HydrophobicContact CB-CG2 4.35Å; V787-V789 HydrophobicContact CG1-CG2 4.28Å; V787-D804 PolarHBondContact N-OD2 3.31Å; V787-D804 PolarHBondContact O-N 3.21Å; V787-V805 PolarHBondContact O-N 3.41Å
788	A	96	Very high	83.7	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	139.5	166.6	0	0	0	0	0	110	M461 A466 I467 C468 V805 F807	M461-A788 HydrophobicContact CE-CB 3.91Å; M461-A788 HydrophobicContact SD-CB 3.82Å; A466-A788 PolarHBondContact O-N 3.07Å; I467-A788 CarbonylContact C-O 3.54Å; I467-A788 WeakPolarHBondContact CA-O 3.35Å; I467-A788 HydrophobicContact CG1-CB 4.17Å; C468-A788 PolarHBondContact N-O 3.46Å; A788-V805 CarbonylContact C-O 3.42Å; A788-V805 WeakPolarHBondContact CA-O 3.39Å; A788-V805 HydrophobicContact CB-CB 4.38Å; A788-F807 HydrophobicContact CB-CD2 4.38Å; A788-F807 HydrophobicContact CB-CE2 4.07Å
789	V	95.6	Very high	83.6	Confident	6 Å²	6	38.9 Å²	38.9	4%	0.036	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.9	177.6	177	0	0	0	0	109.1	C468 V772 V787 A799 L800 A803 V805 F807	C468-V789 HydrophobicContact CB-CG2 4.16Å; C468-V789 VanDerWaalsContact O-CA 3.31Å; C468-V789 WeakPolarHBondContact O-CA 3.44Å; V772-V789 HydrophobicContact CB-CG2 4.39Å; V772-V789 HydrophobicContact CG1-CG2 4Å; V772-V789 HydrophobicContact CG2-CG2 3.44Å; V772-V789 VanDerWaalsContact CG2-CG2 3.44Å; V787-V789 HydrophobicContact CG1-CG2 4.28Å; V789-A799 HydrophobicContact CG1-CB 4.25Å; V789-L800 HydrophobicContact CB-CD2 4.27Å; V789-L800 HydrophobicContact CG1-CD2 3.99Å; V789-L800 HydrophobicContact CG1-CG 4.42Å; V789-L800 WeakPolarHBondContact O-CD2 3.39Å; V789-A803 HydrophobicContact CB-CB 3.84Å; V789-A803 HydrophobicContact CG2-CB 3.49Å; V789-A803 VanDerWaalsContact CG2-CB 3.49Å; V789-V805 PolarHBondContact N-O 2.95Å; V789-F807 PolarHBondContact O-N 2.86Å
790	T	93.6	Very high	83.8	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	142.4	169	78.3	0	0	0	0	110	I467 C468 S469 D470 T474 F807 I833	I467-T790 HydrophobicContact CG2-CG2 4.26Å; C468-T790 PolarHBondContact O-N 2.86Å; S469-T790 VanDerWaalsContact CA-OG1 3.24Å; S469-T790 WeakPolarHBondContact CA-OG1 3.48Å; S469-T790 PolarHBondContact OG-OG1 3.24Å; D470-T790 PolarHBondContact N-O 3.16Å; D470-T790 PolarHBondContact N-OG1 3.18Å; T474-T790 HydrophobicContact CG2-CG2 4.38Å; T474-T790 WeakPolarHBondContact CG2-OG1 3.45Å; T790-F807 WeakPolarHBondContact CA-O 3.37Å; T790-F807 HydrophobicContact CG2-CB 4.02Å; T790-F807 HydrophobicContact CG2-CD2 4.49Å; T790-I833 HydrophobicContact CG2-CD1 3.51Å
791	G	85.4	Confident	83.8	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	156.6	178.1	0	0	0	0	0	112.5	D796 F807 A808 M809	G791-D796 VanDerWaalsContact CA-OD2 3.25Å; G791-D796 WeakPolarHBondContact CA-OD2 3.41Å; G791-F807 PolarHBondContact N-O 2.82Å; G791-A808 WeakPolarHBondContact O-CA 3.41Å; G791-M809 PolarHBondContact O-N 3.21Å
792	D	80.7	Confident	84.3	Confident	23 Å²	23	38.1 Å²	38.1	12%	0.123	19%	0.192	C	C	.	.			trans	-128.4	-19.8	176.7	72.1	-28.3	0	0	0	112	D796 M809 G813 T814	D792-D796 PolarHBondContact N-OD2 2.87Å; D792-D796 VanDerWaalsContact N-OD2 3.07Å; D792-M809 HydrophobicContact CB-CB 4.04Å; D792-M809 HydrophobicContact CB-CG 3.76Å; D792-G813 CarbonylContact O-C 3.6Å; D792-G813 WeakPolarHBondContact O-CA 3.5Å; D792-T814 WeakPolarHBondContact O-CG2 3.19Å; D792-T814 PolarHBondContact O-N 3.43Å; D792-T814 PolarHBondContact O-OG1 3.33Å
793	G	73.4	Confident	85.3	Confident	12 Å²	12	29.7 Å²	29.7	12%	0.124	15%	0.154	C	C	.	.	S	Bend	trans	-96.8	162.2	-178	0	0	0	0	0	114.1	N795 D796	G793-N795 PolarHBondContact O-N 2.89Å; G793-D796 PolarHBondContact N-OD2 2.72Å; G793-D796 WeakPolarHBondContact O-CB 3.35Å; G793-D796 PolarHBondContact O-N 3.14Å
794	T	69.7	Low	86	Confident	7 Å²	7	28.2 Å²	28.2	4%	0.043	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-61.4	-29.3	171.3	72.1	0	0	0	0	111.7	Y217 D796 G797 T814 V816	Y217-T794 HydrophobicContact CE1-CG2 4.3Å; Y217-T794 HydrophobicContact CE2-CG2 4.02Å; Y217-T794 WeakPolarHBondContact CE2-OG1 3.22Å; Y217-T794 VanDerWaalsContact CZ-OG1 3.27Å; Y217-T794 PolarHBondContact OH-OG1 3.04Å; T794-D796 PolarHBondContact O-N 3.04Å; T794-D796 VanDerWaalsContact O-N 3.16Å; T794-G797 PolarHBondContact O-N 3.45Å; T794-T814 HydrophobicContact CG2-CG2 4.16Å; T794-T814 PolarHBondContact N-OG1 3.09Å; T794-V816 HydrophobicContact CG2-CB 3.89Å; T794-V816 HydrophobicContact CG2-CG1 4.38Å; T794-V816 HydrophobicContact CG2-CG2 3.72Å
795	N	75.1	Confident	86.4	Confident	85 Å²	85	24.2 Å²	24.2	46%	0.455	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-57.4	-22.7	173	-70.8	-22.9	0	0	0	114	P765 G793	P765-N795 WeakPolarHBondContact CB-O 3.45Å; P765-N795 HydrophobicContact CG-CB 3.81Å; G793-N795 PolarHBondContact O-N 2.89Å
796	D	80.9	Confident	86.7	Confident	4 Å²	4	23.1 Å²	23.1	2%	0.021	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-89.9	-14.3	-180	-58.5	-44	0	0	0	112.4	K768 G791 D792 G793 T794 A799 L800	K768-D796 WeakPolarHBondContact CD-OD1 3.47Å; K768-D796 WeakPolarHBondContact CE-OD1 3.41Å; K768-D796 IonicContact NZ-OD1 3.37Å; K768-D796 PolarHBondContact NZ-OD1 3.46Å; G791-D796 VanDerWaalsContact CA-OD2 3.25Å; G791-D796 WeakPolarHBondContact CA-OD2 3.41Å; D792-D796 PolarHBondContact N-OD2 2.87Å; D792-D796 VanDerWaalsContact N-OD2 3.07Å; G793-D796 PolarHBondContact N-OD2 2.72Å; G793-D796 WeakPolarHBondContact O-CB 3.35Å; G793-D796 PolarHBondContact O-N 3.14Å; T794-D796 PolarHBondContact O-N 3.04Å; T794-D796 VanDerWaalsContact O-N 3.16Å; D796-A799 PolarHBondContact O-N 2.86Å; D796-L800 HydrophobicContact CB-CD1 3.91Å; D796-L800 HydrophobicContact CB-CG 4.16Å; D796-L800 WeakPolarHBondContact O-CB 3.31Å; D796-L800 WeakPolarHBondContact O-CG 3.38Å; D796-L800 PolarHBondContact O-N 3.06Å
797	G	80.4	Confident	86.9	Confident	8 Å²	8	22.9 Å²	22.9	8%	0.082	12%	0.123	C	C	.	.	H	α-helix	trans	-49.2	-52.8	-175.3	0	0	0	0	0	114.2	T794 A799 L800 K801	T794-G797 PolarHBondContact O-N 3.45Å; G797-A799 VanDerWaalsContact C-N 3.28Å; G797-A799 PolarHBondContact O-N 3.48Å; G797-L800 PolarHBondContact O-N 2.89Å; G797-K801 WeakPolarHBondContact O-CB 3.22Å; G797-K801 PolarHBondContact O-N 2.92Å
798	P	81.3	Confident	86.7	Confident	72 Å²	72	22.9 Å²	22.9	47%	0.468	12%	0.123	S	C	.	.	H	α-helix	trans	-63.6	-29.4	178.9	-24.7	34.9	0	0	0	114.6	H769 K802	H769-P798 HydrophobicContact CB-CB 4.5Å; H769-P798 PolarHBondContact ND1-O 2.94Å; P798-K802 VanDerWaalsContact O-CB 3.31Å; P798-K802 WeakPolarHBondContact O-CB 3.27Å; P798-K802 PolarHBondContact O-N 2.66Å
799	A	86.9	Confident	86.3	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-81	-41.3	177.7	0	0	0	0	0	111.1	K768 V772 V789 D796 G797 K802 A803	K768-A799 HydrophobicContact CB-CB 3.91Å; V772-A799 HydrophobicContact CG2-CB 4.46Å; V789-A799 HydrophobicContact CG1-CB 4.25Å; D796-A799 PolarHBondContact O-N 2.86Å; G797-A799 VanDerWaalsContact C-N 3.28Å; G797-A799 PolarHBondContact O-N 3.48Å; A799-K802 PolarHBondContact O-N 3.45Å; A799-A803 PolarHBondContact O-N 3.43Å
800	L	88.1	Confident	85.6	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.1	-47.1	174.2	-73.3	169.6	0	0	0	111.1	V789 D796 G797 K802 A803 F807 A817 A820	V789-L800 HydrophobicContact CB-CD2 4.27Å; V789-L800 HydrophobicContact CG1-CD2 3.99Å; V789-L800 HydrophobicContact CG1-CG 4.42Å; V789-L800 WeakPolarHBondContact O-CD2 3.39Å; D796-L800 HydrophobicContact CB-CD1 3.91Å; D796-L800 HydrophobicContact CB-CG 4.16Å; D796-L800 WeakPolarHBondContact O-CB 3.31Å; D796-L800 WeakPolarHBondContact O-CG 3.38Å; D796-L800 PolarHBondContact O-N 3.06Å; G797-L800 PolarHBondContact O-N 2.89Å; L800-K802 VanDerWaalsContact C-N 3.3Å; L800-K802 PolarHBondContact O-N 3.17Å; L800-A803 WeakPolarHBondContact O-CB 3.32Å; L800-A803 PolarHBondContact O-N 3.37Å; L800-F807 VanDerWaalsContact CD2-O 3.28Å; L800-F807 WeakPolarHBondContact CD2-O 3.44Å; L800-A817 HydrophobicContact CD1-CB 3.97Å; L800-A820 HydrophobicContact CB-CB 4.09Å; L800-A820 HydrophobicContact CD1-CB 4.47Å
801	K	85.4	Confident	84.7	Confident	137 Å²	137	29.4 Å²	29.4	60%	0.596	16%	0.16	S	C	*	.	H	α-helix	trans	-70.2	-26.2	-178.8	-166.4	57.2	171	-178.8	0	113.7	G797	G797-K801 WeakPolarHBondContact O-CB 3.22Å; G797-K801 PolarHBondContact O-N 2.92Å
802	K	88.8	Confident	84	Confident	82 Å²	82	31.3 Å²	31.3	36%	0.357	18%	0.176	S	C	.	.	H	α-helix	trans	-86.7	-23.1	179.7	-175.8	57.7	-179.7	170.4	0	112.9	K773 I776 P798 A799 L800	K773-K802 HydrophobicContact CB-CG 4.33Å; I776-K802 WeakPolarHBondContact CD1-O 3.26Å; P798-K802 VanDerWaalsContact O-CB 3.31Å; P798-K802 WeakPolarHBondContact O-CB 3.27Å; P798-K802 PolarHBondContact O-N 2.66Å; A799-K802 PolarHBondContact O-N 3.45Å; L800-K802 VanDerWaalsContact C-N 3.3Å; L800-K802 PolarHBondContact O-N 3.17Å
803	A	92.6	Very high	83.8	Confident	11 Å²	11	30.5 Å²	30.5	9%	0.091	17%	0.173	C	C	.	.	S	Bend	trans	-60.2	156.9	177.1	0	0	0	0	0	111.4	V772 V789 A799 L800 V805	V772-A803 HydrophobicContact CG1-CB 4.33Å; V789-A803 HydrophobicContact CB-CB 3.84Å; V789-A803 HydrophobicContact CG2-CB 3.49Å; V789-A803 VanDerWaalsContact CG2-CB 3.49Å; A799-A803 PolarHBondContact O-N 3.43Å; L800-A803 WeakPolarHBondContact O-CB 3.32Å; L800-A803 PolarHBondContact O-N 3.37Å; A803-V805 PolarHBondContact O-N 2.93Å
804	D	92.3	Very high	84	Confident	29 Å²	29	31.1 Å²	31.1	16%	0.155	18%	0.175	C	C	.	.	S	Bend	trans	-69.4	-27.3	168.8	-62.3	-75.9	0	0	0	110.9	T460 R784 V786 V787 R914	T460-D804 HydrophobicContact CG2-CB 3.84Å; R784-D804 IonicContact CZ-OD1 2.64Å; R784-D804 VanDerWaalsContact CZ-OD1 3.28Å; R784-D804 IonicContact NH1-OD1 3.3Å; R784-D804 PolarHBondContact NH1-OD1 3.49Å; R784-D804 IonicContact NH1-OD2 2.78Å; R784-D804 PolarHBondContact NH1-OD2 2.97Å; R784-D804 IonicContact NH2-OD1 3.55Å; R784-D804 PolarHBondContact NH2-OD1 3.22Å; V786-D804 VanDerWaalsContact CA-OD2 3.31Å; V786-D804 WeakPolarHBondContact CA-OD2 3.24Å; V786-D804 HydrophobicContact CG1-CB 3.9Å; V787-D804 PolarHBondContact N-OD2 3.31Å; V787-D804 PolarHBondContact O-N 3.21Å; D804-R914 IonicContact OD1-NH1 3.29Å
805	V	94.3	Very high	84.3	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	118.1	170.8	-178.3	0	0	0	0	110.3	A457 T460 M461 V787 A788 V789 A803 F807 D822 I823	A457-V805 HydrophobicContact CB-CG1 4.28Å; A457-V805 HydrophobicContact CB-CG2 4.36Å; T460-V805 HydrophobicContact CG2-CG2 3.73Å; M461-V805 HydrophobicContact CB-CG2 4.3Å; M461-V805 HydrophobicContact SD-CB 4.3Å; M461-V805 HydrophobicContact SD-CG1 4.2Å; M461-V805 HydrophobicContact SD-CG2 4.4Å; V787-V805 PolarHBondContact O-N 3.41Å; A788-V805 CarbonylContact C-O 3.42Å; A788-V805 WeakPolarHBondContact CA-O 3.39Å; A788-V805 HydrophobicContact CB-CB 4.38Å; V789-V805 PolarHBondContact N-O 2.95Å; A803-V805 PolarHBondContact O-N 2.93Å; V805-F807 HydrophobicContact CG1-CD2 4.17Å; V805-F807 HydrophobicContact CG1-CE2 3.67Å; V805-F807 HydrophobicContact CG1-CZ 4.13Å; V805-D822 WeakPolarHBondContact CA-OD2 3.36Å; V805-I823 HydrophobicContact CG1-CD1 4.08Å; V805-I823 HydrophobicContact CG1-CG1 4.43Å
806	G	94.7	Very high	84.3	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	132.8	171.3	0	0	0	0	0	112.8	S821 D822 I823	G806-S821 WeakPolarHBondContact O-CB 3.44Å; G806-D822 PolarHBondContact N-OD2 3.24Å; G806-D822 PolarHBondContact O-N 3.47Å; G806-I823 PolarHBondContact O-N 2.78Å
807	F	94.8	Very high	84.3	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.2	171.6	-73.2	-89.8	0	0	0	111.5	M461 A788 V789 T790 G791 L800 V805 I823 L825 I833 A836	M461-F807 HydrophobicContact CE-CE2 3.68Å; M461-F807 HydrophobicContact CE-CZ 3.87Å; M461-F807 HydrophobicContact CG-CE2 4.48Å; M461-F807 HydrophobicContact CG-CZ 4.08Å; M461-F807 HydrophobicContact SD-CE2 3.54Å; M461-F807 VanDerWaalsContact SD-CE2 3.54Å; M461-F807 HydrophobicContact SD-CZ 3.73Å; A788-F807 HydrophobicContact CB-CD2 4.38Å; A788-F807 HydrophobicContact CB-CE2 4.07Å; V789-F807 PolarHBondContact O-N 2.86Å; T790-F807 WeakPolarHBondContact CA-O 3.37Å; T790-F807 HydrophobicContact CG2-CB 4.02Å; T790-F807 HydrophobicContact CG2-CD2 4.49Å; G791-F807 PolarHBondContact N-O 2.82Å; L800-F807 VanDerWaalsContact CD2-O 3.28Å; L800-F807 WeakPolarHBondContact CD2-O 3.44Å; V805-F807 HydrophobicContact CG1-CD2 4.17Å; V805-F807 HydrophobicContact CG1-CE2 3.67Å; V805-F807 HydrophobicContact CG1-CZ 4.13Å; F807-I823 VanDerWaalsContact CA-O 3.28Å; F807-I823 WeakPolarHBondContact CA-O 3.42Å; F807-I823 HydrophobicContact CD1-CB 3.84Å; F807-I823 HydrophobicContact CD1-CG2 3.93Å; F807-I823 HydrophobicContact CE1-CB 3.8Å; F807-I823 HydrophobicContact CE1-CD1 3.91Å; F807-I823 HydrophobicContact CE1-CG1 4.41Å; F807-I823 HydrophobicContact CE1-CG2 3.73Å; F807-I823 HydrophobicContact CZ-CD1 3.96Å; F807-L825 HydrophobicContact CD1-CD1 4.49Å; F807-L825 HydrophobicContact CD1-CD2 3.77Å; F807-L825 HydrophobicContact CD1-CG 4.14Å; F807-L825 HydrophobicContact CE1-CD2 4.12Å; F807-I833 HydrophobicContact CD1-CG1 4.12Å; F807-I833 HydrophobicContact CE1-CG1 4.16Å; F807-I833 HydrophobicContact CE1-CG2 4.45Å; F807-I833 HydrophobicContact CE2-CG2 4.14Å; F807-I833 HydrophobicContact CG-CG1 4.43Å; F807-I833 HydrophobicContact CZ-CG2 4.02Å; F807-A836 HydrophobicContact CE1-CB 4.14Å; F807-A836 HydrophobicContact CZ-CB 4.1Å
808	A	90.4	Very high	84.4	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	147.1	169.8	0	0	0	0	0	112.5	G791 A817 K818 S821 I823 I824 L825	G791-A808 WeakPolarHBondContact O-CA 3.41Å; A808-A817 HydrophobicContact CB-CB 4.44Å; A808-K818 HydrophobicContact CB-CB 4.36Å; A808-K818 HydrophobicContact CB-CG 3.99Å; A808-S821 WeakPolarHBondContact CB-OG 3.42Å; A808-I823 PolarHBondContact N-O 3.5Å; A808-I824 HydrophobicContact CB-CG1 4.47Å; A808-I824 WeakPolarHBondContact O-CA 3.27Å; A808-L825 PolarHBondContact O-N 2.97Å
809	M	87.3	Confident	84.4	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	128.6	168.9	-60.4	-54.6	118.5	0	0	110	T474 G791 D792 A812 G813 K818 L825 D828	T474-M809 HydrophobicContact CG2-CE 3.76Å; T474-M809 HydrophobicContact CG2-SD 4.47Å; T474-M809 WeakPolarHBondContact OG1-CE 3.33Å; G791-M809 PolarHBondContact O-N 3.21Å; D792-M809 HydrophobicContact CB-CB 4.04Å; D792-M809 HydrophobicContact CB-CG 3.76Å; M809-A812 HydrophobicContact CB-CB 4.41Å; M809-G813 WeakPolarHBondContact O-CA 3.49Å; M809-G813 PolarHBondContact O-N 3.3Å; M809-K818 WeakPolarHBondContact O-CE 3.32Å; M809-L825 HydrophobicContact CE-CD1 3.73Å; M809-L825 HydrophobicContact SD-CD1 4.24Å; M809-D828 WeakPolarHBondContact CA-OD1 3.44Å; M809-D828 WeakPolarHBondContact CB-OD1 3.2Å; M809-D828 HydrophobicContact SD-CB 3.98Å
810	G	81.3	Confident	84.1	Confident	18 Å²	18	32.2 Å²	32.2	19%	0.186	17%	0.172	C	C	.	.	S	Bend	trans	-76.2	-35.5	-178.7	0	0	0	0	0	113.2	K818 L825 D828	G810-K818 WeakPolarHBondContact O-CE 3.19Å; G810-K818 PolarHBondContact O-NZ 3.47Å; G810-L825 WeakPolarHBondContact CA-O 3.48Å; G810-L825 PolarHBondContact N-O 2.66Å; G810-D828 PolarHBondContact N-OD1 3.11Å
811	I	75.9	Confident	84.1	Confident	127 Å²	127	32.2 Å²	32.2	65%	0.651	17%	0.172	S	C	*	.	S	Bend	trans	-94.4	-56.4	-177.2	-52.3	171.8	0	0	0	110.4	D828	I811-D828 WeakPolarHBondContact CB-OD2 3.25Å; I811-D828 PolarHBondContact N-OD1 3.36Å
812	A	70.4	Confident	84.4	Confident	39 Å²	39	26.8 Å²	26.8	32%	0.322	15%	0.15	S	C	.	.	S	Bend	trans	-83	-19.7	-176.7	0	0	0	0	0	114	M809 D828	M809-A812 HydrophobicContact CB-CB 4.41Å; A812-D828 VanDerWaalsContact CB-OD2 3.25Å; A812-D828 WeakPolarHBondContact CB-OD2 3.42Å; A812-D828 PolarHBondContact N-OD2 2.85Å
813	G	76.3	Confident	84.6	Confident	7 Å²	7	22.9 Å²	22.9	7%	0.072	13%	0.133	C	C	.	.	S	Bend	trans	-75.4	143.1	-173.6	0	0	0	0	0	113.7	D792 M809 K818	D792-G813 CarbonylContact O-C 3.6Å; D792-G813 WeakPolarHBondContact O-CA 3.5Å; M809-G813 WeakPolarHBondContact O-CA 3.49Å; M809-G813 PolarHBondContact O-N 3.3Å; G813-K818 VanDerWaalsContact O-CE 3.23Å; G813-K818 WeakPolarHBondContact O-CE 3.18Å; G813-K818 PolarHBondContact O-NZ 2.86Å
814	T	76.3	Confident	84.5	Confident	24 Å²	24	23 Å²	23	15%	0.147	13%	0.132	C	C	.	.			trans	-67.6	157.7	172.1	63.4	0	0	0	0	111	D792 T794 V816 A817 K818	D792-T814 WeakPolarHBondContact O-CG2 3.19Å; D792-T814 PolarHBondContact O-N 3.43Å; D792-T814 PolarHBondContact O-OG1 3.33Å; T794-T814 HydrophobicContact CG2-CG2 4.16Å; T794-T814 PolarHBondContact N-OG1 3.09Å; T814-V816 VanDerWaalsContact C-N 3.25Å; T814-V816 PolarHBondContact O-N 3Å; T814-A817 PolarHBondContact O-N 3.31Å; T814-A817 WeakPolarHBondContact OG1-CB 2.88Å; T814-A817 PolarHBondContact OG1-N 3.39Å; T814-K818 WeakPolarHBondContact O-CG 3.29Å; T814-K818 PolarHBondContact O-N 2.89Å
815	D	77.8	Confident	84.4	Confident	41 Å²	41	21.7 Å²	21.7	22%	0.219	13%	0.125	C	C	.	.	H	α-helix	trans	-67.3	-32.1	179.2	-63.6	-32.2	0	0	0	111.3	G218 L220 A817 K818 E819	G218-D815 PolarHBondContact O-N 3.04Å; G218-D815 VanDerWaalsContact O-N 3.15Å; L220-D815 HydrophobicContact CB-CB 3.79Å; D815-A817 PolarHBondContact O-N 3.37Å; D815-K818 PolarHBondContact O-N 3.14Å; D815-K818 IonicContact OD1-NZ 2.86Å; D815-E819 WeakPolarHBondContact O-CB 3.41Å; D815-E819 PolarHBondContact O-N 3.13Å
816	V	74.9	Confident	84.1	Confident	17 Å²	17	23.5 Å²	23.5	10%	0.103	14%	0.136	C	C	.	.	H	α-helix	trans	-57	-47.8	170.7	-177.7	0	0	0	0	111.3	H262 T794 T814 E819 A820	H262-V816 HydrophobicContact CB-CG2 3.82Å; H262-V816 WeakPolarHBondContact ND1-CG2 3.23Å; T794-V816 HydrophobicContact CG2-CB 3.89Å; T794-V816 HydrophobicContact CG2-CG1 4.38Å; T794-V816 HydrophobicContact CG2-CG2 3.72Å; T814-V816 VanDerWaalsContact C-N 3.25Å; T814-V816 PolarHBondContact O-N 3Å; V816-E819 PolarHBondContact O-N 2.87Å; V816-A820 WeakPolarHBondContact O-CB 3.31Å; V816-A820 PolarHBondContact O-N 3.09Å
817	A	79.6	Confident	83.7	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.4	-43.8	179.4	0	0	0	0	0	111.1	L800 A808 T814 D815 E819 A820 S821	L800-A817 HydrophobicContact CD1-CB 3.97Å; A808-A817 HydrophobicContact CB-CB 4.44Å; T814-A817 PolarHBondContact O-N 3.31Å; T814-A817 WeakPolarHBondContact OG1-CB 2.88Å; T814-A817 PolarHBondContact OG1-N 3.39Å; D815-A817 PolarHBondContact O-N 3.37Å; A817-E819 VanDerWaalsContact C-N 3.31Å; A817-E819 PolarHBondContact O-N 2.89Å; A817-A820 PolarHBondContact O-N 2.51Å; A817-S821 WeakPolarHBondContact O-CB 3.2Å; A817-S821 PolarHBondContact O-N 2.94Å; A817-S821 PolarHBondContact O-OG 2.91Å
818	K	83.9	Confident	83.3	Confident	44 Å²	44	25.7 Å²	25.7	19%	0.191	15%	0.148	C	C	.	.	H	α-helix	trans	-58.4	-42.9	176	-70.6	171.1	-173.4	168.7	0	111.7	R453 A808 M809 G810 G813 T814 D815 S821 I824	R453-K818 PolarHBondContact NH1-O 3.39Å; A808-K818 HydrophobicContact CB-CB 4.36Å; A808-K818 HydrophobicContact CB-CG 3.99Å; M809-K818 WeakPolarHBondContact O-CE 3.32Å; G810-K818 WeakPolarHBondContact O-CE 3.19Å; G810-K818 PolarHBondContact O-NZ 3.47Å; G813-K818 VanDerWaalsContact O-CE 3.23Å; G813-K818 WeakPolarHBondContact O-CE 3.18Å; G813-K818 PolarHBondContact O-NZ 2.86Å; T814-K818 WeakPolarHBondContact O-CG 3.29Å; T814-K818 PolarHBondContact O-N 2.89Å; D815-K818 PolarHBondContact O-N 3.14Å; D815-K818 IonicContact OD1-NZ 2.86Å; K818-S821 PolarHBondContact O-N 2.85Å; K818-S821 PolarHBondContact O-OG 2.86Å; K818-I824 HydrophobicContact CB-CD1 3.9Å; K818-I824 HydrophobicContact CB-CG1 4.38Å; K818-I824 HydrophobicContact CG-CD1 4.1Å; K818-I824 HydrophobicContact CG-CG1 4.39Å
819	E	80.7	Confident	83.2	Confident	83 Å²	83	27 Å²	27	39%	0.388	16%	0.155	S	C	.	.	H	α-helix	trans	-72	-34.9	179.6	-172.6	167	-174.5	0	0	113.6	H262 R453 D815 V816 A817 S821	H262-E819 IonicContact CE1-OE2 3.77Å; H262-E819 PolarHBondContact CE1-OE2 2.7Å; H262-E819 IonicContact NE2-OE2 2.62Å; R453-E819 VanDerWaalsContact NH1-CA 3.28Å; R453-E819 PolarHBondContact NH1-O 3.49Å; D815-E819 WeakPolarHBondContact O-CB 3.41Å; D815-E819 PolarHBondContact O-N 3.13Å; V816-E819 PolarHBondContact O-N 2.87Å; A817-E819 VanDerWaalsContact C-N 3.31Å; A817-E819 PolarHBondContact O-N 2.89Å; E819-S821 VanDerWaalsContact C-N 3.26Å; E819-S821 PolarHBondContact O-N 3.18Å
820	A	80.3	Confident	83.3	Confident	16 Å²	16	27 Å²	27	13%	0.132	16%	0.155	C	C	.	.	H	α-helix	trans	-72.8	-19.3	174.5	0	0	0	0	0	113.3	L800 V816 A817	L800-A820 HydrophobicContact CB-CB 4.09Å; L800-A820 HydrophobicContact CD1-CB 4.47Å; V816-A820 WeakPolarHBondContact O-CB 3.31Å; V816-A820 PolarHBondContact O-N 3.09Å; A817-A820 PolarHBondContact O-N 2.51Å
821	S	88.8	Confident	83.8	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.158	C	C	.	.			trans	-89.5	156.9	-175.5	75.2	0	0	0	0	114.7	R453 G806 A808 A817 K818 E819	R453-S821 PolarHBondContact NH1-O 3.4Å; G806-S821 WeakPolarHBondContact O-CB 3.44Å; A808-S821 WeakPolarHBondContact CB-OG 3.42Å; A817-S821 WeakPolarHBondContact O-CB 3.2Å; A817-S821 PolarHBondContact O-N 2.94Å; A817-S821 PolarHBondContact O-OG 2.91Å; K818-S821 PolarHBondContact O-N 2.85Å; K818-S821 PolarHBondContact O-OG 2.86Å; E819-S821 VanDerWaalsContact C-N 3.26Å; E819-S821 PolarHBondContact O-N 3.18Å
822	D	90.6	Very high	84.6	Confident	22 Å²	22	22.1 Å²	22.1	12%	0.118	13%	0.127	C	C	.	.	S	Bend	trans	-93.3	-30.2	176.2	-53.9	-57.8	0	0	0	113.2	R453 H454 A457 V805 G806	R453-D822 WeakPolarHBondContact CB-O 3.44Å; R453-D822 PolarHBondContact N-O 2.98Å; H454-D822 HydrophobicContact CB-CB 4.13Å; H454-D822 IonicContact CD2-OD1 2.78Å; H454-D822 PolarHBondContact CD2-OD1 2.87Å; H454-D822 IonicContact CG-OD1 2.82Å; H454-D822 PolarHBondContact N-O 2.87Å; A457-D822 HydrophobicContact CB-CB 3.46Å; A457-D822 VanDerWaalsContact CB-CB 3.46Å; V805-D822 WeakPolarHBondContact CA-OD2 3.36Å; G806-D822 PolarHBondContact N-OD2 3.24Å; G806-D822 PolarHBondContact O-N 3.47Å
823	I	92.8	Very high	85.8	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128.7	179.6	-56.2	178.7	0	0	0	109.2	M445 N450 L451 V452 A457 V805 G806 F807 A808	M445-I823 HydrophobicContact CE-CD1 4.39Å; N450-I823 HydrophobicContact CB-CG2 4.24Å; L451-I823 WeakPolarHBondContact O-CA 3.43Å; V452-I823 HydrophobicContact CG1-CG1 4.42Å; V452-I823 HydrophobicContact CG2-CD1 4.49Å; V452-I823 HydrophobicContact CG2-CG1 4.34Å; A457-I823 HydrophobicContact CB-CD1 4.46Å; A457-I823 HydrophobicContact CB-CG1 4.33Å; V805-I823 HydrophobicContact CG1-CD1 4.08Å; V805-I823 HydrophobicContact CG1-CG1 4.43Å; G806-I823 PolarHBondContact O-N 2.78Å; F807-I823 VanDerWaalsContact CA-O 3.28Å; F807-I823 WeakPolarHBondContact CA-O 3.42Å; F807-I823 HydrophobicContact CD1-CB 3.84Å; F807-I823 HydrophobicContact CD1-CG2 3.93Å; F807-I823 HydrophobicContact CE1-CB 3.8Å; F807-I823 HydrophobicContact CE1-CD1 3.91Å; F807-I823 HydrophobicContact CE1-CG1 4.41Å; F807-I823 HydrophobicContact CE1-CG2 3.73Å; F807-I823 HydrophobicContact CZ-CD1 3.96Å; A808-I823 PolarHBondContact N-O 3.5Å
824	I	90.8	Very high	86.6	Confident	15 Å²	15	20.4 Å²	20.4	8%	0.077	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.5	173.2	-60.8	174.1	0	0	0	109	L451 R453 A808 K818	L451-I824 HydrophobicContact CB-CB 4.22Å; L451-I824 HydrophobicContact CD2-CB 4.43Å; L451-I824 HydrophobicContact CD2-CD1 4.44Å; L451-I824 PolarHBondContact N-O 3.07Å; L451-I824 PolarHBondContact O-N 3.5Å; R453-I824 HydrophobicContact CG-CD1 4.28Å; R453-I824 HydrophobicContact CG-CG1 4.43Å; A808-I824 HydrophobicContact CB-CG1 4.47Å; A808-I824 WeakPolarHBondContact O-CA 3.27Å; K818-I824 HydrophobicContact CB-CD1 3.9Å; K818-I824 HydrophobicContact CB-CG1 4.38Å; K818-I824 HydrophobicContact CG-CD1 4.1Å; K818-I824 HydrophobicContact CG-CG1 4.39Å
825	L	91.4	Very high	87.5	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	108.2	173.4	-56.2	-176.5	0	0	0	109.4	N450 F807 A808 M809 G810 D827 D828 I833	N450-L825 WeakPolarHBondContact OD1-CD2 3.48Å; F807-L825 HydrophobicContact CD1-CD1 4.49Å; F807-L825 HydrophobicContact CD1-CD2 3.77Å; F807-L825 HydrophobicContact CD1-CG 4.14Å; F807-L825 HydrophobicContact CE1-CD2 4.12Å; A808-L825 PolarHBondContact O-N 2.97Å; M809-L825 HydrophobicContact CE-CD1 3.73Å; M809-L825 HydrophobicContact SD-CD1 4.24Å; G810-L825 WeakPolarHBondContact CA-O 3.48Å; G810-L825 PolarHBondContact N-O 2.66Å; L825-D827 PolarHBondContact O-N 3.44Å; L825-D828 PolarHBondContact O-N 3.37Å; L825-I833 HydrophobicContact CD1-CD1 4.06Å; L825-I833 HydrophobicContact CD1-CG1 3.74Å; L825-I833 HydrophobicContact CD2-CG1 4.32Å
826	T	88	Confident	88.2	Confident	38 Å²	38	20.8 Å²	20.8	23%	0.233	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-11.7	-174.6	60.9	0	0	0	0	113.6	N449 L451	N449-T826 VanDerWaalsContact CA-OG1 3.27Å; N449-T826 WeakPolarHBondContact CA-OG1 3.47Å; N449-T826 WeakPolarHBondContact CB-OG1 3.29Å; N449-T826 PolarHBondContact O-N 3.14Å; N449-T826 PolarHBondContact O-OG1 2.88Å; L451-T826 HydrophobicContact CB-CG2 4.02Å
827	D	86.4	Confident	89.2	Confident	41 Å²	41	20 Å²	20	22%	0.219	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	3.1	-179.7	65.7	-5.6	0	0	0	114.4	N449 L825 N829 S832	N449-D827 HydrophobicContact CB-CB 4.01Å; N449-D827 VanDerWaalsContact CB-CG 3.44Å; N449-D827 WeakPolarHBondContact CB-OD2 3.45Å; N449-D827 PolarHBondContact ND2-OD2 3.38Å; L825-D827 PolarHBondContact O-N 3.44Å; D827-N829 HydrophobicContact CB-CB 4.42Å; D827-N829 VanDerWaalsContact CG-CB 3.47Å; D827-N829 PolarHBondContact O-N 3.1Å; D827-N829 VanDerWaalsContact O-N 3.12Å; D827-N829 WeakPolarHBondContact OD1-CB 3.27Å; D827-N829 PolarHBondContact OD1-N 3.28Å; D827-N829 VanDerWaalsContact OD1-N 3.13Å; D827-S832 PolarHBondContact OD1-OG 3.19Å; D827-S832 PolarHBondContact OD2-OG 3Å
828	D	85.8	Confident	89.8	Confident	6 Å²	6	21.2 Å²	21.2	3%	0.032	11%	0.11	C	C	.	.			trans	50.8	29.4	-174.5	-64	1.9	0	0	0	113.8	R682 M809 G810 I811 A812 L825	R682-D828 PolarHBondContact NE-O 2.67Å; R682-D828 PolarHBondContact NH2-O 3.03Å; M809-D828 WeakPolarHBondContact CA-OD1 3.44Å; M809-D828 WeakPolarHBondContact CB-OD1 3.2Å; M809-D828 HydrophobicContact SD-CB 3.98Å; G810-D828 PolarHBondContact N-OD1 3.11Å; I811-D828 WeakPolarHBondContact CB-OD2 3.25Å; I811-D828 PolarHBondContact N-OD1 3.36Å; A812-D828 VanDerWaalsContact CB-OD2 3.25Å; A812-D828 WeakPolarHBondContact CB-OD2 3.42Å; A812-D828 PolarHBondContact N-OD2 2.85Å; L825-D828 PolarHBondContact O-N 3.37Å
829	N	86.9	Confident	90.3	Very high	28 Å²	28	19.8 Å²	19.8	15%	0.15	10%	0.103	C	C	.	.			trans	-101.5	127.3	-174	-161.1	-45.6	0	0	0	112.1	E684 D827 T831 S832	E684-N829 VanDerWaalsContact CG-OD1 3.23Å; E684-N829 WeakPolarHBondContact CG-OD1 3.26Å; E684-N829 VanDerWaalsContact OE1-CG 3.23Å; E684-N829 PolarHBondContact OE1-ND2 3.21Å; E684-N829 PolarHBondContact OE1-OD1 3.35Å; D827-N829 HydrophobicContact CB-CB 4.42Å; D827-N829 VanDerWaalsContact CG-CB 3.47Å; D827-N829 PolarHBondContact O-N 3.1Å; D827-N829 VanDerWaalsContact O-N 3.12Å; D827-N829 WeakPolarHBondContact OD1-CB 3.27Å; D827-N829 PolarHBondContact OD1-N 3.28Å; D827-N829 VanDerWaalsContact OD1-N 3.13Å; N829-T831 PolarHBondContact O-N 3.24Å; N829-T831 WeakPolarHBondContact OD1-CB 3.31Å; N829-T831 WeakPolarHBondContact OD1-CG2 3.38Å; N829-T831 PolarHBondContact OD1-N 2.98Å; N829-T831 PolarHBondContact OD1-OG1 3.35Å; N829-S832 WeakPolarHBondContact O-CB 3.25Å; N829-S832 PolarHBondContact O-N 2.94Å; N829-S832 PolarHBondContact O-OG 3.36Å
830	F	90.1	Very high	90.8	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	9%	0.086	C	C	.	.	H	α-helix	trans	-62.4	-26.6	176.7	-163.4	-87.8	0	0	0	113	I467 T474 L475 V685 A688 I689 V699 S832 I833	I467-F830 HydrophobicContact CG2-CZ 4.44Å; T474-F830 HydrophobicContact CG2-CD2 4.08Å; L475-F830 HydrophobicContact CD2-CD2 3.73Å; L475-F830 HydrophobicContact CD2-CE2 3.86Å; L475-F830 HydrophobicContact CD2-CG 4.4Å; V685-F830 HydrophobicContact CG2-CB 3.72Å; V685-F830 HydrophobicContact CG2-CG 4.41Å; A688-F830 HydrophobicContact CB-CD1 3.73Å; A688-F830 HydrophobicContact CB-CE1 4.4Å; I689-F830 HydrophobicContact CG1-CD1 4.39Å; I689-F830 HydrophobicContact CG1-CE1 3.87Å; I689-F830 HydrophobicContact CG1-CZ 4.26Å; V699-F830 HydrophobicContact CG1-CZ 4.31Å; V699-F830 HydrophobicContact CG2-CZ 4.42Å; F830-S832 PolarHBondContact O-N 3.32Å; F830-I833 HydrophobicContact CD2-CD1 3.68Å; F830-I833 HydrophobicContact CE2-CD1 3.83Å; F830-I833 HydrophobicContact CG-CD1 4.22Å; F830-I833 HydrophobicContact CZ-CD1 4.49Å; F830-I833 WeakPolarHBondContact O-CB 3.45Å; F830-I833 PolarHBondContact O-N 2.87Å; F830-I833 VanDerWaalsContact O-N 3.11Å
831	T	91.9	Very high	91.3	Very high	41 Å²	41	15.2 Å²	15.2	25%	0.252	8%	0.08	S	C	.	.	H	α-helix	trans	-62.1	-28.3	174	60.7	0	0	0	0	112.5	E684 A688 N829 I833 V834 K835	E684-T831 HydrophobicContact CB-CG2 3.77Å; E684-T831 HydrophobicContact CG-CG2 3.72Å; A688-T831 HydrophobicContact CB-CG2 3.97Å; N829-T831 PolarHBondContact O-N 3.24Å; N829-T831 WeakPolarHBondContact OD1-CB 3.31Å; N829-T831 WeakPolarHBondContact OD1-CG2 3.38Å; N829-T831 PolarHBondContact OD1-N 2.98Å; N829-T831 PolarHBondContact OD1-OG1 3.35Å; T831-I833 VanDerWaalsContact C-N 3.27Å; T831-I833 PolarHBondContact O-N 3.26Å; T831-V834 WeakPolarHBondContact O-CB 3.3Å; T831-V834 PolarHBondContact O-N 2.93Å; T831-V834 VanDerWaalsContact O-N 3.14Å; T831-K835 PolarHBondContact O-N 3.44Å
832	S	93.7	Very high	91.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.2	-34.4	175.5	-59.4	0	0	0	0	111.2	N450 D827 N829 F830 K835 A836	N450-S832 PolarHBondContact ND2-O 3.42Å; N450-S832 PolarHBondContact OD1-O 3.29Å; D827-S832 PolarHBondContact OD1-OG 3.19Å; D827-S832 PolarHBondContact OD2-OG 3Å; N829-S832 WeakPolarHBondContact O-CB 3.25Å; N829-S832 PolarHBondContact O-N 2.94Å; N829-S832 PolarHBondContact O-OG 3.36Å; F830-S832 PolarHBondContact O-N 3.32Å; S832-K835 WeakPolarHBondContact O-CB 3.49Å; S832-K835 PolarHBondContact O-N 3.36Å; S832-A836 PolarHBondContact O-N 3.36Å
833	I	94.4	Very high	91.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.6	-41.8	173.3	-55.9	171.7	0	0	0	110.9	M461 I467 T790 F807 L825 F830 T831 K835 A836 V837	M461-I833 HydrophobicContact CE-CG2 3.67Å; I467-I833 HydrophobicContact CD1-CG2 4.02Å; T790-I833 HydrophobicContact CG2-CD1 3.51Å; F807-I833 HydrophobicContact CD1-CG1 4.12Å; F807-I833 HydrophobicContact CE1-CG1 4.16Å; F807-I833 HydrophobicContact CE1-CG2 4.45Å; F807-I833 HydrophobicContact CE2-CG2 4.14Å; F807-I833 HydrophobicContact CG-CG1 4.43Å; F807-I833 HydrophobicContact CZ-CG2 4.02Å; L825-I833 HydrophobicContact CD1-CD1 4.06Å; L825-I833 HydrophobicContact CD1-CG1 3.74Å; L825-I833 HydrophobicContact CD2-CG1 4.32Å; F830-I833 HydrophobicContact CD2-CD1 3.68Å; F830-I833 HydrophobicContact CE2-CD1 3.83Å; F830-I833 HydrophobicContact CG-CD1 4.22Å; F830-I833 HydrophobicContact CZ-CD1 4.49Å; F830-I833 WeakPolarHBondContact O-CB 3.45Å; F830-I833 PolarHBondContact O-N 2.87Å; F830-I833 VanDerWaalsContact O-N 3.11Å; T831-I833 VanDerWaalsContact C-N 3.27Å; T831-I833 PolarHBondContact O-N 3.26Å; I833-K835 VanDerWaalsContact C-N 3.29Å; I833-K835 PolarHBondContact O-N 3.1Å; I833-A836 WeakPolarHBondContact O-CB 3.38Å; I833-A836 PolarHBondContact O-N 3.41Å; I833-A836 VanDerWaalsContact O-N 3.14Å; I833-V837 WeakPolarHBondContact O-CG2 3.36Å; I833-V837 PolarHBondContact O-N 3.24Å
834	V	94.3	Very high	91.1	Very high	11 Å²	11	15.1 Å²	15.1	7%	0.067	8%	0.078	C	C	.	.	H	α-helix	trans	-61.4	-41	175.6	-176.2	0	0	0	0	110.7	A688 K691 T831 V837 M838 L907	A688-V834 HydrophobicContact CB-CG2 3.87Å; K691-V834 HydrophobicContact CB-CG1 4.2Å; K691-V834 HydrophobicContact CD-CG1 4.34Å; T831-V834 WeakPolarHBondContact O-CB 3.3Å; T831-V834 PolarHBondContact O-N 2.93Å; T831-V834 VanDerWaalsContact O-N 3.14Å; V834-V837 PolarHBondContact O-N 2.94Å; V834-M838 PolarHBondContact O-N 3.49Å; V834-L907 HydrophobicContact CG1-CD1 3.79Å
835	K	93.8	Very high	91	Very high	72 Å²	72	14.7 Å²	14.7	31%	0.313	8%	0.076	S	C	.	.	H	α-helix	trans	-65	-39.1	174.3	-65.9	-177.7	-175.9	178.6	0	111.7	D448 T831 S832 I833 V837 M838 W839	D448-K835 HydrophobicContact CB-CD 3.92Å; D448-K835 IonicContact OD1-NZ 3.68Å; T831-K835 PolarHBondContact O-N 3.44Å; S832-K835 WeakPolarHBondContact O-CB 3.49Å; S832-K835 PolarHBondContact O-N 3.36Å; I833-K835 VanDerWaalsContact C-N 3.29Å; I833-K835 PolarHBondContact O-N 3.1Å; K835-V837 PolarHBondContact O-N 3.46Å; K835-M838 WeakPolarHBondContact O-CB 3.33Å; K835-M838 PolarHBondContact O-N 2.89Å; K835-M838 VanDerWaalsContact O-N 3.14Å; K835-W839 VanDerWaalsContact O-CD1 3.29Å; K835-W839 PolarHBondContact O-N 3.48Å
836	A	94.1	Very high	90.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61.3	-42.9	175.5	0	0	0	0	0	112.1	M445 M461 F807 S832 I833 M838 W839 G840	M445-A836 HydrophobicContact CE-CB 3.67Å; M461-A836 HydrophobicContact CG-CB 4.25Å; F807-A836 HydrophobicContact CE1-CB 4.14Å; F807-A836 HydrophobicContact CZ-CB 4.1Å; S832-A836 PolarHBondContact O-N 3.36Å; I833-A836 WeakPolarHBondContact O-CB 3.38Å; I833-A836 PolarHBondContact O-N 3.41Å; I833-A836 VanDerWaalsContact O-N 3.14Å; A836-M838 VanDerWaalsContact C-N 3.31Å; A836-M838 PolarHBondContact O-N 2.85Å; A836-W839 PolarHBondContact O-N 2.67Å; A836-G840 PolarHBondContact O-N 3.36Å
837	V	94.4	Very high	90.9	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.006	7%	0.065	C	C	.	.	H	α-helix	trans	-58	-45	171.3	173.6	0	0	0	0	111.1	M461 I697 I833 V834 K835 G840 R841 L907	M461-V837 HydrophobicContact CE-CG2 3.32Å; M461-V837 HydrophobicContact CG-CG2 4.02Å; M461-V837 HydrophobicContact SD-CG2 4.39Å; I697-V837 HydrophobicContact CD1-CB 4.44Å; I697-V837 HydrophobicContact CD1-CG1 3.78Å; I697-V837 HydrophobicContact CD1-CG2 3.81Å; I833-V837 WeakPolarHBondContact O-CG2 3.36Å; I833-V837 PolarHBondContact O-N 3.24Å; V834-V837 PolarHBondContact O-N 2.94Å; K835-V837 PolarHBondContact O-N 3.46Å; V837-G840 PolarHBondContact O-N 2.97Å; V837-R841 HydrophobicContact CG1-CG 4.48Å; V837-R841 WeakPolarHBondContact O-CG 3.37Å; V837-R841 PolarHBondContact O-N 2.95Å; V837-L907 HydrophobicContact CG1-CD2 4.07Å
838	M	93.6	Very high	91	Very high	26 Å²	26	11.2 Å²	11.2	13%	0.128	6%	0.056	C	C	.	.	H	α-helix	trans	-62.7	-45.1	-179.4	-163.3	-167.9	-66.5	0	0	111.7	V834 K835 A836 R841 N842 P902 E904 L906 L907	V834-M838 PolarHBondContact O-N 3.49Å; K835-M838 WeakPolarHBondContact O-CB 3.33Å; K835-M838 PolarHBondContact O-N 2.89Å; K835-M838 VanDerWaalsContact O-N 3.14Å; A836-M838 VanDerWaalsContact C-N 3.31Å; A836-M838 PolarHBondContact O-N 2.85Å; M838-R841 PolarHBondContact O-N 2.92Å; M838-N842 WeakPolarHBondContact O-CB 3.16Å; M838-N842 PolarHBondContact O-N 3.31Å; M838-P902 HydrophobicContact CG-CB 3.78Å; M838-P902 HydrophobicContact SD-CB 3.85Å; M838-P902 HydrophobicContact SD-CG 4.24Å; M838-E904 HydrophobicContact CE-CG 4.13Å; M838-L906 HydrophobicContact CG-CD1 4.37Å; M838-L907 HydrophobicContact CB-CD2 4.35Å; M838-L907 HydrophobicContact CE-CD1 3.62Å; M838-L907 HydrophobicContact CE-CG 4.18Å
839	W	93.1	Very high	91.3	Very high	13 Å²	13	11.9 Å²	11.9	5%	0.049	6%	0.059	C	C	.	.	H	α-helix	trans	-63.8	-43.7	174.9	-83.8	107.1	0	0	0	112	K444 M445 D448 K835 A836 R841 N842 V843 P902	K444-W839 HydrophobicContact CB-CH2 3.31Å; K444-W839 HydrophobicContact CB-CZ2 3.34Å; K444-W839 HydrophobicContact CB-CZ3 4.03Å; K444-W839 HydrophobicContact CG-CH2 3.71Å; K444-W839 HydrophobicContact CG-CZ2 4.16Å; K444-W839 HydrophobicContact CG-CZ3 4.44Å; M445-W839 HydrophobicContact CG-CB 3.66Å; M445-W839 VanDerWaalsContact CG-CD1 3.5Å; M445-W839 HydrophobicContact CG-CD2 3.93Å; M445-W839 HydrophobicContact CG-CG 3.4Å; M445-W839 VanDerWaalsContact CG-CG 3.4Å; M445-W839 HydrophobicContact SD-CB 3.6Å; M445-W839 VanDerWaalsContact SD-CB 3.6Å; M445-W839 HydrophobicContact SD-CG 4.06Å; D448-W839 PolarHBondContact OD2-NE1 3.33Å; K835-W839 VanDerWaalsContact O-CD1 3.29Å; K835-W839 PolarHBondContact O-N 3.48Å; A836-W839 PolarHBondContact O-N 2.67Å; W839-R841 PolarHBondContact O-N 2.92Å; W839-N842 WeakPolarHBondContact O-CA 3.23Å; W839-N842 WeakPolarHBondContact O-CB 3.46Å; W839-N842 PolarHBondContact O-N 2.93Å; W839-N842 VanDerWaalsContact O-N 3.09Å; W839-V843 WeakPolarHBondContact O-CG2 3.4Å; W839-V843 PolarHBondContact O-N 3.08Å; W839-P902 HydrophobicContact CD2-CG 3.94Å; W839-P902 HydrophobicContact CE3-CG 4.24Å; W839-P902 HydrophobicContact CG-CG 4.46Å; W839-P902 VanDerWaalsContact CH2-CD 3.43Å; W839-P902 HydrophobicContact CH2-CG 4.14Å; W839-P902 HydrophobicContact CZ2-CG 3.83Å; W839-P902 HydrophobicContact CZ3-CG 4.35Å
840	G	91.7	Very high	91.5	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.01	5%	0.052	C	C	.	.	H	α-helix	trans	-62.2	-41.6	176.9	0	0	0	0	0	113.3	C458 A836 V837 N842 V843 Y844	C458-G840 WeakPolarHBondContact O-CA 3.02Å; A836-G840 PolarHBondContact O-N 3.36Å; V837-G840 PolarHBondContact O-N 2.97Å; G840-N842 VanDerWaalsContact C-N 3.28Å; G840-N842 PolarHBondContact O-N 2.93Å; G840-V843 PolarHBondContact O-N 2.65Å; G840-Y844 PolarHBondContact O-N 3.46Å
841	R	91.4	Very high	91.5	Very high	3 Å²	3	10.6 Å²	10.6	1%	0.011	5%	0.052	C	C	.	.	H	α-helix	trans	-63.9	-34.8	172.9	-72	179.9	-179.8	-164.6	-0	112.2	G462 A695 V837 M838 W839 D845 L906 R909	G462-R841 VanDerWaalsContact O-CG 3.27Å; G462-R841 WeakPolarHBondContact O-CG 3.44Å; G462-R841 PolarHBondContact O-NE 2.95Å; A695-R841 PolarHBondContact O-NH2 3.37Å; V837-R841 HydrophobicContact CG1-CG 4.48Å; V837-R841 WeakPolarHBondContact O-CG 3.37Å; V837-R841 PolarHBondContact O-N 2.95Å; M838-R841 PolarHBondContact O-N 2.92Å; W839-R841 PolarHBondContact O-N 2.92Å; R841-D845 PolarHBondContact O-N 3.24Å; R841-L906 HydrophobicContact CB-CB 4.35Å; R841-L906 VanDerWaalsContact CD-O 3.31Å; R841-L906 WeakPolarHBondContact CD-O 3.48Å; R841-L906 PolarHBondContact NH1-O 3.41Å; R841-R909 PolarHBondContact NH1-O 3.19Å
842	N	91.6	Very high	91.5	Very high	3 Å²	3	8.7 Å²	8.7	2%	0.016	4%	0.04	C	C	.	.	H	α-helix	trans	-70	-39.7	177.8	-171.2	60.9	0	0	0	112.2	M838 W839 G840 Y844 D845 S846 E900 P902 L906	M838-N842 WeakPolarHBondContact O-CB 3.16Å; M838-N842 PolarHBondContact O-N 3.31Å; W839-N842 WeakPolarHBondContact O-CA 3.23Å; W839-N842 WeakPolarHBondContact O-CB 3.46Å; W839-N842 PolarHBondContact O-N 2.93Å; W839-N842 VanDerWaalsContact O-N 3.09Å; G840-N842 VanDerWaalsContact C-N 3.28Å; G840-N842 PolarHBondContact O-N 2.93Å; N842-Y844 VanDerWaalsContact C-N 3.32Å; N842-Y844 PolarHBondContact O-N 3.14Å; N842-D845 PolarHBondContact O-N 3.32Å; N842-S846 VanDerWaalsContact O-CB 3.27Å; N842-S846 WeakPolarHBondContact O-CB 3.39Å; N842-S846 PolarHBondContact O-N 3.37Å; N842-S846 PolarHBondContact O-OG 3.21Å; N842-E900 PolarHBondContact ND2-O 3.23Å; N842-P902 HydrophobicContact CB-CB 3.88Å; N842-L906 HydrophobicContact CB-CD1 3.81Å
843	V	89.4	Confident	91.5	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-55.5	-48.6	176.1	169.7	0	0	0	0	110.8	S441 W839 G840 S846 I847	S441-V843 WeakPolarHBondContact OG-CG2 3.49Å; W839-V843 WeakPolarHBondContact O-CG2 3.4Å; W839-V843 PolarHBondContact O-N 3.08Å; G840-V843 PolarHBondContact O-N 2.65Å; V843-S846 PolarHBondContact O-N 3.02Å; V843-I847 HydrophobicContact CG1-CD1 3.82Å; V843-I847 WeakPolarHBondContact O-CD1 3.42Å; V843-I847 VanDerWaalsContact O-CG1 3.29Å; V843-I847 WeakPolarHBondContact O-CG1 3.23Å; V843-I847 PolarHBondContact O-N 2.87Å; V843-I847 VanDerWaalsContact O-N 3.11Å
844	Y	86.9	Confident	91.3	Very high	17 Å²	17	8.7 Å²	8.7	7%	0.067	4%	0.04	C	C	.	.	H	α-helix	trans	-61.3	-49.2	178	-173.4	-86.7	0	0	0	112	L357 G840 N842 S846 I847 S848 Y912 L918	L357-Y844 HydrophobicContact CD1-CD2 4.11Å; L357-Y844 HydrophobicContact CD1-CE2 3.99Å; L357-Y844 HydrophobicContact CD2-CD2 4.42Å; G840-Y844 PolarHBondContact O-N 3.46Å; N842-Y844 VanDerWaalsContact C-N 3.32Å; N842-Y844 PolarHBondContact O-N 3.14Å; Y844-S846 PolarHBondContact O-N 3.41Å; Y844-I847 PolarHBondContact O-N 3.21Å; Y844-S848 PolarHBondContact O-N 2.99Å; Y844-S848 PolarHBondContact O-OG 3.3Å; Y844-Y912 AromaticContact CD1-CD2 3.7Å; Y844-Y912 HydrophobicContact CD1-CD2 3.7Å; Y844-Y912 AromaticContact CD1-CE2 3.48Å; Y844-Y912 HydrophobicContact CD1-CE2 3.48Å; Y844-Y912 VanDerWaalsContact CD1-CE2 3.48Å; Y844-Y912 HydrophobicContact CD1-CG 4.46Å; Y844-Y912 HydrophobicContact CE1-CD1 4.45Å; Y844-Y912 AromaticContact CE1-CD2 3.84Å; Y844-Y912 HydrophobicContact CE1-CD2 3.84Å; Y844-Y912 HydrophobicContact CE1-CE1 4.45Å; Y844-Y912 AromaticContact CE1-CE2 3.8Å; Y844-Y912 HydrophobicContact CE1-CE2 3.8Å; Y844-Y912 HydrophobicContact CE1-CG 4.15Å; Y844-Y912 HydrophobicContact CG-CD2 4.28Å; Y844-Y912 HydrophobicContact CG-CE2 4.34Å; Y844-L918 HydrophobicContact CE2-CD1 3.82Å
845	D	88.9	Confident	91.2	Very high	5 Å²	5	9 Å²	9	3%	0.027	4%	0.041	C	C	.	.	H	α-helix	trans	-63.9	-40.1	-179.6	-82.9	11.2	0	0	0	112.4	R841 N842 I847 S848 K849 L906 R909 Y912 I988 H989	R841-D845 PolarHBondContact O-N 3.24Å; N842-D845 PolarHBondContact O-N 3.32Å; D845-I847 VanDerWaalsContact C-N 3.3Å; D845-I847 PolarHBondContact O-N 2.78Å; D845-S848 PolarHBondContact O-N 3.32Å; D845-K849 VanDerWaalsContact O-CG 3.25Å; D845-K849 WeakPolarHBondContact O-CG 3.36Å; D845-K849 PolarHBondContact O-N 3.3Å; D845-L906 WeakPolarHBondContact OD2-CD2 3.49Å; D845-R909 IonicContact OD1-CZ 2.83Å; D845-R909 IonicContact OD1-NH1 2.84Å; D845-R909 IonicContact OD1-NH2 2.98Å; D845-R909 PolarHBondContact OD1-NH2 3.43Å; D845-R909 IonicContact OD2-CZ 2.72Å; D845-R909 IonicContact OD2-NH1 3.71Å; D845-R909 PolarHBondContact OD2-NH1 2.7Å; D845-R909 IonicContact OD2-NH2 3.43Å; D845-R909 PolarHBondContact OD2-NH2 3.31Å; D845-Y912 WeakPolarHBondContact OD1-CE2 3.38Å; D845-Y912 PolarHBondContact OD1-OH 3.47Å; D845-I988 HydrophobicContact CB-CD1 4.08Å; D845-H989 IonicContact OD1-CE1 2.75Å; D845-H989 IonicContact OD2-CE1 3.74Å; D845-H989 PolarHBondContact OD2-CE1 2.89Å
846	S	89.4	Confident	91.1	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-60.7	-40.1	176	-69.4	0	0	0	0	111.8	N842 V843 Y844 K849 F850	N842-S846 VanDerWaalsContact O-CB 3.27Å; N842-S846 WeakPolarHBondContact O-CB 3.39Å; N842-S846 PolarHBondContact O-N 3.37Å; N842-S846 PolarHBondContact O-OG 3.21Å; V843-S846 PolarHBondContact O-N 3.02Å; Y844-S846 PolarHBondContact O-N 3.41Å; S846-K849 PolarHBondContact O-N 3.38Å; S846-F850 PolarHBondContact O-N 3.01Å; S846-F850 VanDerWaalsContact O-N 3.11Å
847	I	87.8	Confident	91.1	Very high	2 Å²	2	5.6 Å²	5.6	1%	0.01	3%	0.027	C	C	.	.	H	α-helix	trans	-69.3	-40.5	175.8	-68.3	162.8	0	0	0	110.9	L357 L361 V434 V843 Y844 D845 K849 F850 L851	L357-I847 HydrophobicContact CD2-CB 4.31Å; L357-I847 HydrophobicContact CD2-CD1 3.25Å; L357-I847 HydrophobicContact CD2-CG1 4.34Å; L357-I847 HydrophobicContact CD2-CG2 4.16Å; L357-I847 HydrophobicContact CG-CD1 4.47Å; L361-I847 HydrophobicContact CD1-CG2 4.1Å; V434-I847 HydrophobicContact CB-CD1 4.28Å; V434-I847 HydrophobicContact CG1-CD1 4.17Å; V434-I847 HydrophobicContact CG2-CD1 4.1Å; V843-I847 HydrophobicContact CG1-CD1 3.82Å; V843-I847 WeakPolarHBondContact O-CD1 3.42Å; V843-I847 VanDerWaalsContact O-CG1 3.29Å; V843-I847 WeakPolarHBondContact O-CG1 3.23Å; V843-I847 PolarHBondContact O-N 2.87Å; V843-I847 VanDerWaalsContact O-N 3.11Å; Y844-I847 PolarHBondContact O-N 3.21Å; D845-I847 VanDerWaalsContact C-N 3.3Å; D845-I847 PolarHBondContact O-N 2.78Å; I847-K849 PolarHBondContact O-N 3.47Å; I847-F850 PolarHBondContact O-N 2.9Å; I847-L851 HydrophobicContact CG2-CD1 3.97Å; I847-L851 HydrophobicContact CG2-CG 4.46Å; I847-L851 WeakPolarHBondContact O-CB 3.47Å; I847-L851 WeakPolarHBondContact O-CG 3.3Å; I847-L851 PolarHBondContact O-N 3.49Å
848	S	89	Confident	90.8	Very high	6 Å²	6	5.9 Å²	5.9	4%	0.042	3%	0.028	C	C	.	.	H	α-helix	trans	-63.3	-37.9	174.1	-64.3	0	0	0	0	113.1	Y844 D845 L851 Q852 M923	Y844-S848 PolarHBondContact O-N 2.99Å; Y844-S848 PolarHBondContact O-OG 3.3Å; D845-S848 PolarHBondContact O-N 3.32Å; S848-L851 PolarHBondContact O-N 3.14Å; S848-Q852 PolarHBondContact O-N 3.03Å; S848-M923 WeakPolarHBondContact O-CE 3.03Å
849	K	90.9	Very high	90.7	Very high	20 Å²	20	7 Å²	7	9%	0.087	4%	0.037	C	C	.	.	H	α-helix	trans	-62.1	-48.9	174.6	-70.2	165.6	-167.1	172.9	0	111.2	D845 S846 I847 Q852 F853 E900 A985 R986 I988	D845-K849 VanDerWaalsContact O-CG 3.25Å; D845-K849 WeakPolarHBondContact O-CG 3.36Å; D845-K849 PolarHBondContact O-N 3.3Å; S846-K849 PolarHBondContact O-N 3.38Å; I847-K849 PolarHBondContact O-N 3.47Å; K849-Q852 PolarHBondContact O-N 2.94Å; K849-F853 PolarHBondContact O-N 3.1Å; K849-E900 IonicContact NZ-OE2 3.28Å; K849-E900 PolarHBondContact NZ-OE2 3.39Å; K849-A985 WeakPolarHBondContact CB-O 3.5Å; K849-A985 WeakPolarHBondContact CG-O 3.47Å; K849-R986 VanDerWaalsContact CD-O 3.25Å; K849-R986 WeakPolarHBondContact CD-O 3.49Å; K849-R986 WeakPolarHBondContact CE-O 3.37Å; K849-I988 HydrophobicContact CG-CD1 4.48Å; K849-I988 HydrophobicContact CG-CG1 4.25Å; K849-I988 HydrophobicContact CG-CG2 3.86Å
850	F	91.2	Very high	90.8	Very high	1 Å²	1	6.4 Å²	6.4	0%	0.004	3%	0.034	C	C	.	.	H	α-helix	trans	-58.6	-48.4	175.2	167	-113.3	0	0	0	111.9	L430 A433 S846 I847 Q852 F853 Q854 M889 L897	L430-F850 HydrophobicContact CD2-CE1 3.79Å; A433-F850 HydrophobicContact CB-CD1 3.32Å; A433-F850 HydrophobicContact CB-CE1 3.27Å; A433-F850 HydrophobicContact CB-CG 4.1Å; A433-F850 HydrophobicContact CB-CZ 4.04Å; S846-F850 PolarHBondContact O-N 3.01Å; S846-F850 VanDerWaalsContact O-N 3.11Å; I847-F850 PolarHBondContact O-N 2.9Å; F850-Q852 VanDerWaalsContact C-N 3.28Å; F850-Q852 PolarHBondContact O-N 3.43Å; F850-F853 WeakPolarHBondContact O-CB 3.44Å; F850-F853 PolarHBondContact O-N 3.21Å; F850-Q854 HydrophobicContact CE2-CB 4.11Å; F850-Q854 HydrophobicContact CE2-CG 4.44Å; F850-Q854 HydrophobicContact CZ-CB 4.14Å; F850-Q854 HydrophobicContact CZ-CG 4.11Å; F850-Q854 WeakPolarHBondContact O-CB 3.49Å; F850-Q854 PolarHBondContact O-N 3.41Å; F850-M889 WeakPolarHBondContact CE2-O 3.44Å; F850-L897 HydrophobicContact CB-CB 4.25Å
851	L	89.2	Confident	90.7	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-58.7	-38.6	177.2	-79.3	164.5	0	0	0	112.8	L361 L364 L430 I847 S848 F853 L855 L918 M923	L361-L851 HydrophobicContact CD2-CD1 3.94Å; L361-L851 HydrophobicContact CD2-CD2 3.94Å; L361-L851 HydrophobicContact CD2-CG 4.35Å; L364-L851 HydrophobicContact CD2-CD2 3.96Å; L430-L851 HydrophobicContact CD1-CD2 4.44Å; L430-L851 HydrophobicContact CD2-CD2 3.31Å; L430-L851 HydrophobicContact CD2-CG 4.31Å; I847-L851 HydrophobicContact CG2-CD1 3.97Å; I847-L851 HydrophobicContact CG2-CG 4.46Å; I847-L851 WeakPolarHBondContact O-CB 3.47Å; I847-L851 WeakPolarHBondContact O-CG 3.3Å; I847-L851 PolarHBondContact O-N 3.49Å; S848-L851 PolarHBondContact O-N 3.14Å; L851-F853 VanDerWaalsContact C-N 3.31Å; L851-F853 PolarHBondContact O-N 3.37Å; L851-L855 VanDerWaalsContact O-CB 3.25Å; L851-L855 WeakPolarHBondContact O-CB 3.24Å; L851-L855 WeakPolarHBondContact O-CG 3.35Å; L851-L855 PolarHBondContact O-N 3.4Å; L851-L918 HydrophobicContact CD1-CD1 4.17Å; L851-L918 HydrophobicContact CD1-CD2 3.48Å; L851-L918 VanDerWaalsContact CD1-CD2 3.48Å; L851-L918 HydrophobicContact CD1-CG 3.7Å; L851-M923 HydrophobicContact CB-CE 3.36Å
852	Q	92.4	Very high	90.6	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-62.6	-45.5	-179.6	-174.1	-176.5	-76.7	0	0	109.7	S848 K849 F850 T856 M923 N926 I927	S848-Q852 PolarHBondContact O-N 3.03Å; K849-Q852 PolarHBondContact O-N 2.94Å; F850-Q852 VanDerWaalsContact C-N 3.28Å; F850-Q852 PolarHBondContact O-N 3.43Å; Q852-T856 WeakPolarHBondContact O-CB 3.08Å; Q852-T856 PolarHBondContact O-N 2.96Å; Q852-T856 PolarHBondContact O-OG1 2.91Å; Q852-M923 HydrophobicContact CB-CE 3.97Å; Q852-M923 HydrophobicContact CB-CG 4Å; Q852-M923 HydrophobicContact CG-CG 4.04Å; Q852-M923 VanDerWaalsContact N-CE 3.27Å; Q852-N926 HydrophobicContact CG-CB 4.31Å; Q852-N926 PolarHBondContact OE1-ND2 2.94Å; Q852-I927 HydrophobicContact CG-CG1 3.99Å
853	F	93.6	Very high	90.6	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.3	-54.9	176.5	178.2	-111.4	0	0	0	111.7	K849 F850 L851 L855 T856 V857 M889 A893 L897 Q978 N981 E982 A985	K849-F853 PolarHBondContact O-N 3.1Å; F850-F853 WeakPolarHBondContact O-CB 3.44Å; F850-F853 PolarHBondContact O-N 3.21Å; L851-F853 VanDerWaalsContact C-N 3.31Å; L851-F853 PolarHBondContact O-N 3.37Å; F853-L855 PolarHBondContact O-N 3.46Å; F853-T856 WeakPolarHBondContact O-CB 3.48Å; F853-T856 PolarHBondContact O-N 3.46Å; F853-T856 VanDerWaalsContact O-N 3.13Å; F853-V857 HydrophobicContact CD2-CG2 4.27Å; F853-V857 HydrophobicContact CE1-CG2 4.31Å; F853-V857 HydrophobicContact CE2-CG2 3.89Å; F853-V857 HydrophobicContact CZ-CG2 3.94Å; F853-V857 VanDerWaalsContact O-CG2 3.3Å; F853-V857 WeakPolarHBondContact O-CG2 3.24Å; F853-V857 PolarHBondContact O-N 3.2Å; F853-V857 VanDerWaalsContact O-N 3.09Å; F853-M889 HydrophobicContact CE1-CB 4.2Å; F853-A893 HydrophobicContact CD1-CB 3.55Å; F853-A893 HydrophobicContact CE1-CB 3.25Å; F853-A893 HydrophobicContact CZ-CB 4.32Å; F853-L897 HydrophobicContact CB-CD1 3.73Å; F853-L897 HydrophobicContact CD1-CD1 4.1Å; F853-L897 HydrophobicContact CG-CD1 4.03Å; F853-Q978 HydrophobicContact CE2-CB 4.31Å; F853-Q978 VanDerWaalsContact CE2-O 3.3Å; F853-Q978 WeakPolarHBondContact CE2-O 3.21Å; F853-Q978 HydrophobicContact CZ-CB 4.33Å; F853-N981 HydrophobicContact CE2-CB 4.48Å; F853-E982 HydrophobicContact CD2-CB 4.12Å; F853-E982 HydrophobicContact CD2-CG 4.39Å; F853-E982 HydrophobicContact CE1-CG 4.42Å; F853-E982 HydrophobicContact CE2-CB 3.75Å; F853-E982 HydrophobicContact CE2-CG 4.21Å; F853-E982 HydrophobicContact CZ-CB 4.1Å; F853-E982 HydrophobicContact CZ-CG 4.21Å; F853-A985 HydrophobicContact CB-CB 3.73Å; F853-A985 HydrophobicContact CD2-CB 4.41Å; F853-A985 HydrophobicContact CG-CB 4.49Å
854	Q	91.4	Very high	90.6	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-58.4	-46.3	-176.1	-176.7	60.6	4.2	0	0	112.3	P427 F850 T856 V857 N858 M889 D890	P427-Q854 HydrophobicContact CB-CG 4.07Å; F850-Q854 HydrophobicContact CE2-CB 4.11Å; F850-Q854 HydrophobicContact CE2-CG 4.44Å; F850-Q854 HydrophobicContact CZ-CB 4.14Å; F850-Q854 HydrophobicContact CZ-CG 4.11Å; F850-Q854 WeakPolarHBondContact O-CB 3.49Å; F850-Q854 PolarHBondContact O-N 3.41Å; Q854-T856 PolarHBondContact O-N 3.35Å; Q854-V857 PolarHBondContact O-N 2.97Å; Q854-N858 WeakPolarHBondContact O-CB 3.43Å; Q854-N858 PolarHBondContact O-N 2.65Å; Q854-M889 VanDerWaalsContact OE1-CB 3.28Å; Q854-M889 VanDerWaalsContact OE1-CE 3.28Å; Q854-M889 PolarHBondContact OE1-O 3.37Å; Q854-D890 VanDerWaalsContact CD-OD1 3.28Å; Q854-D890 PolarHBondContact NE2-OD1 3.33Å; Q854-D890 PolarHBondContact NE2-OD2 3.23Å
855	L	90.6	Very high	90.5	Very high	17 Å²	17	9.3 Å²	9.3	9%	0.089	5%	0.051	C	C	.	.	H	α-helix	trans	-67.9	-34.4	178.9	-67	175.8	0	0	0	112.6	I368 L851 F853 V859 I919 M923 I927	I368-L855 HydrophobicContact CD1-CD2 3.52Å; L851-L855 VanDerWaalsContact O-CB 3.25Å; L851-L855 WeakPolarHBondContact O-CB 3.24Å; L851-L855 WeakPolarHBondContact O-CG 3.35Å; L851-L855 PolarHBondContact O-N 3.4Å; F853-L855 PolarHBondContact O-N 3.46Å; L855-V859 WeakPolarHBondContact O-CB 3.23Å; L855-V859 VanDerWaalsContact O-CG2 3.24Å; L855-V859 WeakPolarHBondContact O-CG2 3.37Å; L855-V859 PolarHBondContact O-N 3.02Å; L855-I919 HydrophobicContact CD1-CD1 3.66Å; L855-I919 HydrophobicContact CD1-CG1 4.28Å; L855-M923 HydrophobicContact CD1-CE 4.45Å; L855-I927 HydrophobicContact CB-CD1 3.97Å; L855-I927 HydrophobicContact CB-CG1 4.49Å; L855-I927 HydrophobicContact CD1-CD1 4.01Å
856	T	93.4	Very high	90.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.7	-48.6	175.8	-56.2	0	0	0	0	110.3	Q852 F853 Q854 N858 V859 V860 H930 N981	Q852-T856 WeakPolarHBondContact O-CB 3.08Å; Q852-T856 PolarHBondContact O-N 2.96Å; Q852-T856 PolarHBondContact O-OG1 2.91Å; F853-T856 WeakPolarHBondContact O-CB 3.48Å; F853-T856 PolarHBondContact O-N 3.46Å; F853-T856 VanDerWaalsContact O-N 3.13Å; Q854-T856 PolarHBondContact O-N 3.35Å; T856-N858 PolarHBondContact O-N 2.92Å; T856-V859 PolarHBondContact O-N 2.91Å; T856-V860 WeakPolarHBondContact O-CG2 3.42Å; T856-V860 PolarHBondContact O-N 3.4Å; T856-V860 VanDerWaalsContact O-N 3.13Å; T856-H930 HydrophobicContact CG2-CB 3.69Å; T856-N981 WeakPolarHBondContact CG2-ND2 3.43Å
857	V	92.5	Very high	90.2	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.006	7%	0.07	C	C	.	.	H	α-helix	trans	-63.6	-44.4	-179.8	-176.1	0	0	0	0	110.3	F853 Q854 V859 V860 A861 V885 M889 F974 Q978	F853-V857 HydrophobicContact CD2-CG2 4.27Å; F853-V857 HydrophobicContact CE1-CG2 4.31Å; F853-V857 HydrophobicContact CE2-CG2 3.89Å; F853-V857 HydrophobicContact CZ-CG2 3.94Å; F853-V857 VanDerWaalsContact O-CG2 3.3Å; F853-V857 WeakPolarHBondContact O-CG2 3.24Å; F853-V857 PolarHBondContact O-N 3.2Å; F853-V857 VanDerWaalsContact O-N 3.09Å; Q854-V857 PolarHBondContact O-N 2.97Å; V857-V859 PolarHBondContact O-N 3.4Å; V857-V860 PolarHBondContact O-N 3.07Å; V857-A861 WeakPolarHBondContact O-CB 3.24Å; V857-A861 PolarHBondContact O-N 2.77Å; V857-V885 HydrophobicContact CG1-CG1 4.02Å; V857-M889 HydrophobicContact CB-CB 4.38Å; V857-M889 HydrophobicContact CB-CE 3.5Å; V857-M889 HydrophobicContact CB-SD 4.15Å; V857-M889 HydrophobicContact CG1-CB 4.12Å; V857-M889 HydrophobicContact CG1-CE 3.47Å; V857-M889 VanDerWaalsContact CG1-CE 3.47Å; V857-M889 HydrophobicContact CG1-CG 4.44Å; V857-M889 HydrophobicContact CG1-SD 3.44Å; V857-M889 WeakPolarHBondContact CG1-SD 3.41Å; V857-M889 HydrophobicContact CG2-CB 4.39Å; V857-F974 HydrophobicContact CG1-CZ 4.3Å; V857-Q978 HydrophobicContact CG1-CG 4.23Å; V857-Q978 HydrophobicContact CG2-CG 4.05Å
858	N	89.6	Confident	89.9	Confident	8 Å²	8	12.8 Å²	12.8	4%	0.043	7%	0.069	C	C	.	.	H	α-helix	trans	-58.7	-49	177.8	-80.9	-16.3	0	0	0	112.7	V424 Q854 T856 V860 A861 V862 M889	V424-N858 PolarHBondContact O-OD1 3.42Å; Q854-N858 WeakPolarHBondContact O-CB 3.43Å; Q854-N858 PolarHBondContact O-N 2.65Å; T856-N858 PolarHBondContact O-N 2.92Å; N858-V860 VanDerWaalsContact C-N 3.33Å; N858-V860 PolarHBondContact O-N 3.19Å; N858-A861 PolarHBondContact O-N 2.99Å; N858-V862 WeakPolarHBondContact O-CB 3.49Å; N858-V862 VanDerWaalsContact O-CG2 3.26Å; N858-V862 WeakPolarHBondContact O-CG2 3.48Å; N858-V862 PolarHBondContact O-N 3.11Å; N858-M889 HydrophobicContact CB-CE 4.43Å; N858-M889 WeakPolarHBondContact OD1-CE 3.48Å
859	V	91.9	Very high	89.4	Confident	50 Å²	50	12.6 Å²	12.6	30%	0.303	7%	0.068	S	C	.	.	H	α-helix	trans	-59.7	-46.6	-179.8	168.1	0	0	0	0	110.4	L855 T856 V857 I863 A931	L855-V859 WeakPolarHBondContact O-CB 3.23Å; L855-V859 VanDerWaalsContact O-CG2 3.24Å; L855-V859 WeakPolarHBondContact O-CG2 3.37Å; L855-V859 PolarHBondContact O-N 3.02Å; T856-V859 PolarHBondContact O-N 2.91Å; V857-V859 PolarHBondContact O-N 3.4Å; V859-I863 HydrophobicContact CG1-CD1 3.76Å; V859-I863 WeakPolarHBondContact O-CB 3.39Å; V859-I863 WeakPolarHBondContact O-CD1 3.45Å; V859-I863 WeakPolarHBondContact O-CG1 3.49Å; V859-I863 PolarHBondContact O-N 2.96Å; V859-I863 VanDerWaalsContact O-N 3.14Å; V859-A931 HydrophobicContact CG1-CB 4.04Å
860	V	93.4	Very high	88.9	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-67.1	-47.2	-179.6	177.7	0	0	0	0	111	T856 V857 N858 V862 I863 V864 A931 Q934 L935 I938 F974	T856-V860 WeakPolarHBondContact O-CG2 3.42Å; T856-V860 PolarHBondContact O-N 3.4Å; T856-V860 VanDerWaalsContact O-N 3.13Å; V857-V860 PolarHBondContact O-N 3.07Å; N858-V860 VanDerWaalsContact C-N 3.33Å; N858-V860 PolarHBondContact O-N 3.19Å; V860-V862 PolarHBondContact O-N 3.13Å; V860-I863 PolarHBondContact O-N 3.22Å; V860-V864 HydrophobicContact CG1-CG2 4.05Å; V860-V864 WeakPolarHBondContact O-CB 3.44Å; V860-V864 WeakPolarHBondContact O-CG2 3.03Å; V860-V864 PolarHBondContact O-N 3.36Å; V860-A931 VanDerWaalsContact CG2-CA 3.48Å; V860-A931 HydrophobicContact CG2-CB 3.68Å; V860-Q934 HydrophobicContact CG1-CB 4.01Å; V860-Q934 HydrophobicContact CG2-CB 4.02Å; V860-L935 HydrophobicContact CG1-CD2 4.16Å; V860-L935 HydrophobicContact CG1-CG 4.47Å; V860-L935 HydrophobicContact CG2-CG 4.49Å; V860-I938 HydrophobicContact CG1-CD1 3.66Å; V860-F974 HydrophobicContact CB-CE2 4.34Å; V860-F974 HydrophobicContact CG1-CD2 4.42Å; V860-F974 HydrophobicContact CG1-CE2 3.68Å
861	A	90	Very high	88.4	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.8	-42.5	-176.8	0	0	0	0	0	112.3	V424 V857 N858 A865 M882 F974	V424-A861 HydrophobicContact CG1-CB 3.49Å; V424-A861 VanDerWaalsContact CG1-CB 3.49Å; V857-A861 WeakPolarHBondContact O-CB 3.24Å; V857-A861 PolarHBondContact O-N 2.77Å; N858-A861 PolarHBondContact O-N 2.99Å; A861-A865 VanDerWaalsContact O-CB 3.25Å; A861-A865 WeakPolarHBondContact O-CB 3.47Å; A861-A865 PolarHBondContact O-N 3.13Å; A861-M882 HydrophobicContact CB-CE 4.3Å; A861-F974 HydrophobicContact CB-CZ 4.09Å
862	V	89.6	Confident	87.6	Confident	21 Å²	21	18 Å²	18	13%	0.127	10%	0.1	C	C	.	.	H	α-helix	trans	-65.1	-44.1	176.7	172.2	0	0	0	0	111.2	M375 A425 N858 V860 A865 F866	M375-V862 HydrophobicContact CB-CG1 4.34Å; M375-V862 HydrophobicContact CG-CG1 4.43Å; A425-V862 HydrophobicContact CB-CG2 3.79Å; N858-V862 WeakPolarHBondContact O-CB 3.49Å; N858-V862 VanDerWaalsContact O-CG2 3.26Å; N858-V862 WeakPolarHBondContact O-CG2 3.48Å; N858-V862 PolarHBondContact O-N 3.11Å; V860-V862 PolarHBondContact O-N 3.13Å; V862-A865 PolarHBondContact O-N 2.89Å; V862-F866 WeakPolarHBondContact O-CB 3.26Å; V862-F866 PolarHBondContact O-N 3.48Å
863	I	91.5	Very high	86.5	Confident	61 Å²	61	21 Å²	21	31%	0.313	11%	0.114	S	C	.	.	H	α-helix	trans	-66.6	-43.8	179	-67.9	168.8	0	0	0	110.8	V859 V860 F866 T867 L935 F939	V859-I863 HydrophobicContact CG1-CD1 3.76Å; V859-I863 WeakPolarHBondContact O-CB 3.39Å; V859-I863 WeakPolarHBondContact O-CD1 3.45Å; V859-I863 WeakPolarHBondContact O-CG1 3.49Å; V859-I863 PolarHBondContact O-N 2.96Å; V859-I863 VanDerWaalsContact O-N 3.14Å; V860-I863 PolarHBondContact O-N 3.22Å; I863-F866 PolarHBondContact O-N 2.85Å; I863-T867 VanDerWaalsContact O-CB 3.25Å; I863-T867 WeakPolarHBondContact O-CB 3.25Å; I863-T867 PolarHBondContact O-N 3.46Å; I863-T867 PolarHBondContact O-OG1 3.13Å; I863-T867 VanDerWaalsContact O-OG1 3.12Å; I863-L935 HydrophobicContact CB-CD1 4.47Å; I863-L935 HydrophobicContact CB-CD2 3.91Å; I863-L935 HydrophobicContact CD1-CD1 3.9Å; I863-L935 HydrophobicContact CG2-CD1 4.04Å; I863-L935 HydrophobicContact CG2-CD2 3.55Å; I863-L935 HydrophobicContact CG2-CG 4.46Å; I863-F939 HydrophobicContact CG2-CE2 4.49Å; I863-F939 HydrophobicContact CG2-CZ 4.15Å
864	V	89.6	Confident	85.4	Confident	1 Å²	1	21.9 Å²	21.9	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-61.6	-45.8	177.7	168.7	0	0	0	0	110.9	V860 G868 P876 L877 L935 I938	V860-V864 HydrophobicContact CG1-CG2 4.05Å; V860-V864 WeakPolarHBondContact O-CB 3.44Å; V860-V864 WeakPolarHBondContact O-CG2 3.03Å; V860-V864 PolarHBondContact O-N 3.36Å; V864-G868 WeakPolarHBondContact O-CA 3.34Å; V864-G868 PolarHBondContact O-N 3.44Å; V864-P876 HydrophobicContact CG1-CG 3.62Å; V864-L877 HydrophobicContact CG1-CD1 4.41Å; V864-L935 HydrophobicContact CG2-CD2 3.79Å; V864-I938 HydrophobicContact CG1-CG2 3.97Å; V864-I938 HydrophobicContact CG2-CB 4.31Å; V864-I938 HydrophobicContact CG2-CD1 3.84Å; V864-I938 HydrophobicContact CG2-CG2 3.74Å
865	A	84.2	Confident	84.7	Confident	2 Å²	2	22.3 Å²	22.3	2%	0.017	12%	0.121	C	C	.	.	H	α-helix	trans	-65.3	-44.5	178.4	0	0	0	0	0	111.7	V421 A861 V862 A869 M882	V421-A865 HydrophobicContact CG2-CB 3.77Å; A861-A865 VanDerWaalsContact O-CB 3.25Å; A861-A865 WeakPolarHBondContact O-CB 3.47Å; A861-A865 PolarHBondContact O-N 3.13Å; V862-A865 PolarHBondContact O-N 2.89Å; A865-A869 WeakPolarHBondContact O-CB 3.35Å; A865-A869 PolarHBondContact O-N 3.48Å; A865-M882 HydrophobicContact CB-CE 4.18Å
866	F	86.2	Confident	84.2	Confident	46 Å²	46	21.5 Å²	21.5	20%	0.202	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-54	178.3	173.9	-102.1	0	0	0	112.2	M375 L378 T379 I382 V862 I863 A869 C870	M375-F866 HydrophobicContact CE-CB 4.06Å; M375-F866 HydrophobicContact CE-CD1 4Å; M375-F866 HydrophobicContact CE-CD2 3.59Å; M375-F866 HydrophobicContact CE-CE1 4.36Å; M375-F866 HydrophobicContact CE-CE2 3.99Å; M375-F866 HydrophobicContact CE-CG 3.6Å; M375-F866 HydrophobicContact CE-CZ 4.36Å; L378-F866 HydrophobicContact CD2-CE2 3.97Å; L378-F866 HydrophobicContact CD2-CZ 4.24Å; L378-F866 HydrophobicContact CG-CE2 4.14Å; T379-F866 WeakPolarHBondContact OG1-CD2 3.43Å; I382-F866 HydrophobicContact CD1-CE2 3.87Å; I382-F866 HydrophobicContact CD1-CZ 4.08Å; V862-F866 WeakPolarHBondContact O-CB 3.26Å; V862-F866 PolarHBondContact O-N 3.48Å; I863-F866 PolarHBondContact O-N 2.85Å; F866-A869 PolarHBondContact O-N 3.13Å; F866-C870 WeakPolarHBondContact O-CB 3.19Å; F866-C870 PolarHBondContact O-N 3.18Å; F866-C870 PolarHBondContact O-SG 3.35Å
867	T	86.4	Confident	83.7	Confident	34 Å²	34	21.7 Å²	21.7	21%	0.209	12%	0.118	C	C	.	.	H	α-helix	trans	-67.6	-39.6	-177.8	-61.1	0	0	0	0	111.4	I863 C870 I871 F939	I863-T867 VanDerWaalsContact O-CB 3.25Å; I863-T867 WeakPolarHBondContact O-CB 3.25Å; I863-T867 PolarHBondContact O-N 3.46Å; I863-T867 PolarHBondContact O-OG1 3.13Å; I863-T867 VanDerWaalsContact O-OG1 3.12Å; T867-C870 PolarHBondContact O-N 3.27Å; T867-I871 HydrophobicContact CG2-CD1 3.57Å; T867-I871 HydrophobicContact CG2-CG1 4.45Å; T867-I871 WeakPolarHBondContact O-CB 3.35Å; T867-I871 VanDerWaalsContact O-CG1 3.32Å; T867-I871 WeakPolarHBondContact O-CG1 3.49Å; T867-I871 PolarHBondContact O-N 3.31Å; T867-I871 VanDerWaalsContact O-N 3.09Å; T867-F939 HydrophobicContact CG2-CE1 3.74Å; T867-F939 HydrophobicContact CG2-CE2 4.46Å; T867-F939 HydrophobicContact CG2-CZ 3.63Å
868	G	80.6	Confident	83	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.2	-53.3	171.8	0	0	0	0	0	111.5	V864 C870 I871 T872 D874	V864-G868 WeakPolarHBondContact O-CA 3.34Å; V864-G868 PolarHBondContact O-N 3.44Å; G868-C870 VanDerWaalsContact C-N 3.29Å; G868-C870 PolarHBondContact O-N 3.49Å; G868-I871 PolarHBondContact O-N 3.46Å; G868-I871 VanDerWaalsContact O-N 3.12Å; G868-T872 PolarHBondContact O-N 3.49Å; G868-T872 PolarHBondContact O-OG1 2.97Å; G868-D874 CarbonylContact C-O 3.58Å; G868-D874 VanDerWaalsContact C-O 3.27Å
869	A	78.4	Confident	82.4	Confident	2 Å²	2	23.9 Å²	23.9	2%	0.017	13%	0.129	C	C	.	.	H	α-helix	trans	-56.6	-41.7	177.5	0	0	0	0	0	112.9	T379 L383 I417 A865 F866 I871 Q873 D874	T379-A869 HydrophobicContact CG2-CB 3.69Å; L383-A869 HydrophobicContact CD1-CB 4.15Å; L383-A869 HydrophobicContact CD2-CB 4.12Å; L383-A869 VanDerWaalsContact CD2-O 3.28Å; L383-A869 WeakPolarHBondContact CD2-O 3.15Å; L383-A869 HydrophobicContact CG-CB 4.32Å; I417-A869 HydrophobicContact CG2-CB 4.49Å; A865-A869 WeakPolarHBondContact O-CB 3.35Å; A865-A869 PolarHBondContact O-N 3.48Å; F866-A869 PolarHBondContact O-N 3.13Å; A869-I871 PolarHBondContact O-N 2.84Å; A869-Q873 WeakPolarHBondContact O-CA 3.45Å; A869-Q873 PolarHBondContact O-N 3.01Å; A869-D874 PolarHBondContact N-O 3Å
870	C	80.9	Confident	81.8	Confident	40 Å²	40	22 Å²	22	27%	0.27	12%	0.118	S	C	.	.	H	α-helix	trans	-67.3	-31.9	179.4	-67.7	0	0	0	0	113.6	F866 T867 G868	F866-C870 WeakPolarHBondContact O-CB 3.19Å; F866-C870 PolarHBondContact O-N 3.18Å; F866-C870 PolarHBondContact O-SG 3.35Å; T867-C870 PolarHBondContact O-N 3.27Å; G868-C870 VanDerWaalsContact C-N 3.29Å; G868-C870 PolarHBondContact O-N 3.49Å
871	I	81.3	Confident	81.5	Confident	89 Å²	89	22.1 Å²	22.1	46%	0.456	12%	0.118	S	C	.	.	H	α-helix	trans	-98.5	-44.7	-173.1	-62.2	170.8	0	0	0	111.9	T867 G868 A869 F943	T867-I871 HydrophobicContact CG2-CD1 3.57Å; T867-I871 HydrophobicContact CG2-CG1 4.45Å; T867-I871 WeakPolarHBondContact O-CB 3.35Å; T867-I871 VanDerWaalsContact O-CG1 3.32Å; T867-I871 WeakPolarHBondContact O-CG1 3.49Å; T867-I871 PolarHBondContact O-N 3.31Å; T867-I871 VanDerWaalsContact O-N 3.09Å; G868-I871 PolarHBondContact O-N 3.46Å; G868-I871 VanDerWaalsContact O-N 3.12Å; A869-I871 PolarHBondContact O-N 2.84Å; I871-F943 HydrophobicContact CB-CZ 4.33Å; I871-F943 HydrophobicContact CD1-CE2 4.37Å; I871-F943 HydrophobicContact CD1-CZ 3.65Å; I871-F943 HydrophobicContact CG2-CE1 3.69Å; I871-F943 HydrophobicContact CG2-CZ 3.84Å
872	T	71.3	Confident	81.1	Confident	6 Å²	6	22.2 Å²	22.2	4%	0.037	12%	0.119	C	C	.	.	H	α-helix	trans	-103.8	8.1	-172.5	50.8	0	0	0	0	113.9	G868 D874 R955	G868-T872 PolarHBondContact O-N 3.49Å; G868-T872 PolarHBondContact O-OG1 2.97Å; T872-D874 PolarHBondContact O-N 2.86Å; T872-D874 PolarHBondContact OG1-O 3.41Å; T872-R955 HydrophobicContact CG2-CG 4.26Å
873	Q	70.6	Confident	80.7	Confident	64 Å²	64	21.9 Å²	21.9	30%	0.299	12%	0.116	S	C	.	.	S	Bend	trans	56.3	7.3	-175.1	-60.1	-178.7	-62.7	0	0	115.3	Y386 A869	Y386-Q873 HydrophobicContact CD1-CG 3.59Å; Y386-Q873 HydrophobicContact CE1-CG 3.35Å; A869-Q873 WeakPolarHBondContact O-CA 3.45Å; A869-Q873 PolarHBondContact O-N 3.01Å
874	D	70.7	Confident	80.5	Confident	18 Å²	18	20 Å²	20	10%	0.096	11%	0.105	C	C	.	.	S	Bend	trans	-150.8	154.7	-178.1	-156.1	-14.7	0	0	0	108.1	K413 G868 A869 T872 K878	K413-D874 WeakPolarHBondContact CE-OD2 3.18Å; K413-D874 IonicContact NZ-OD1 3.87Å; K413-D874 IonicContact NZ-OD2 2.78Å; K413-D874 PolarHBondContact NZ-OD2 3.29Å; G868-D874 CarbonylContact C-O 3.58Å; G868-D874 VanDerWaalsContact C-O 3.27Å; A869-D874 PolarHBondContact N-O 3Å; T872-D874 PolarHBondContact O-N 2.86Å; T872-D874 PolarHBondContact OG1-O 3.41Å; D874-K878 VanDerWaalsContact CG-NZ 3.27Å; D874-K878 IonicContact OD1-NZ 2.7Å; D874-K878 PolarHBondContact OD1-NZ 3.42Å; D874-K878 IonicContact OD2-NZ 3.19Å; D874-K878 PolarHBondContact OD2-NZ 2.99Å
875	S	76.7	Confident	80.3	Confident	8 Å²	8	20.1 Å²	20.1	6%	0.056	11%	0.106	C	C	.	.			trans	-81.5	135	174.3	173.8	0	0	0	0	109.6	L877	S875-L877 WeakPolarHBondContact CB-O 3.36Å; S875-L877 PolarHBondContact O-N 3.31Å; S875-L877 PolarHBondContact OG-N 2.84Å; S875-L877 PolarHBondContact OG-O 2.9Å
876	P	78.6	Confident	80.2	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-66.3	-19	175.8	28.8	-36.2	0	0	0	112.7	V864 L942 Y967	V864-P876 HydrophobicContact CG1-CG 3.62Å; P876-L942 HydrophobicContact CB-CD1 3.63Å; P876-L942 HydrophobicContact CB-CD2 4.49Å; P876-L942 HydrophobicContact CG-CD1 4.38Å; P876-L942 HydrophobicContact CG-CD2 4.38Å; P876-Y967 HydrophobicContact CB-CE1 4.47Å
877	L	82.9	Confident	80.1	Confident	4 Å²	4	19.1 Å²	19.1	2%	0.021	10%	0.102	C	C	.	.	S	Bend	trans	-109.3	122.8	173.4	-59.7	175.9	0	0	0	109	V864 S875 M882 F971 F974	V864-L877 HydrophobicContact CG1-CD1 4.41Å; S875-L877 WeakPolarHBondContact CB-O 3.36Å; S875-L877 PolarHBondContact O-N 3.31Å; S875-L877 PolarHBondContact OG-N 2.84Å; S875-L877 PolarHBondContact OG-O 2.9Å; L877-M882 HydrophobicContact CB-CG 3.81Å; L877-M882 HydrophobicContact CB-SD 3.68Å; L877-M882 HydrophobicContact CD1-SD 3.57Å; L877-M882 VanDerWaalsContact CD1-SD 3.57Å; L877-M882 HydrophobicContact CG-SD 4.28Å; L877-F971 HydrophobicContact CD2-CB 4.08Å; L877-F971 HydrophobicContact CD2-CD2 4.12Å; L877-F974 HydrophobicContact CD1-CD1 3.93Å; L877-F974 HydrophobicContact CD1-CE1 3.93Å
878	K	79.3	Confident	80.1	Confident	45 Å²	45	17.9 Å²	17.9	20%	0.196	9%	0.094	C	C	.	.			trans	-77.4	160.6	179.6	-64	-63.2	-179.2	-177.3	0	111.7	D874 V880 Q881 M882	D874-K878 VanDerWaalsContact CG-NZ 3.27Å; D874-K878 IonicContact OD1-NZ 2.7Å; D874-K878 PolarHBondContact OD1-NZ 3.42Å; D874-K878 IonicContact OD2-NZ 3.19Å; D874-K878 PolarHBondContact OD2-NZ 2.99Å; K878-V880 VanDerWaalsContact C-N 3.33Å; K878-V880 PolarHBondContact O-N 3.49Å; K878-Q881 WeakPolarHBondContact O-CB 3.46Å; K878-Q881 PolarHBondContact O-N 3.44Å; K878-Q881 VanDerWaalsContact O-N 3.1Å; K878-M882 WeakPolarHBondContact O-CG 3.12Å; K878-M882 PolarHBondContact O-N 3.39Å
879	A	75.6	Confident	80.3	Confident	10 Å²	10	18 Å²	18	8%	0.083	10%	0.095	C	C	.	.	H	α-helix	trans	-54.3	-45.4	-175.5	0	0	0	0	0	113.1	I156 T420 Q881 M882 L883	I156-A879 HydrophobicContact CD1-CB 4.05Å; I156-A879 HydrophobicContact CG1-CB 4.18Å; T420-A879 HydrophobicContact CG2-CB 4.4Å; A879-Q881 PolarHBondContact O-N 3.24Å; A879-M882 PolarHBondContact O-N 3.39Å; A879-L883 WeakPolarHBondContact O-CG 3.37Å; A879-L883 PolarHBondContact O-N 2.93Å
880	V	80.4	Confident	80.5	Confident	11 Å²	11	18 Å²	18	7%	0.067	10%	0.095	C	C	.	.	H	α-helix	trans	-64.4	-40.8	178.8	178.2	0	0	0	0	112.1	A155 I156 K878 M882 L883 W884 F1026	A155-V880 HydrophobicContact CB-CG2 3.64Å; I156-V880 HydrophobicContact CG1-CG2 4.27Å; K878-V880 VanDerWaalsContact C-N 3.33Å; K878-V880 PolarHBondContact O-N 3.49Å; V880-M882 VanDerWaalsContact C-N 3.32Å; V880-M882 PolarHBondContact O-N 3.2Å; V880-L883 PolarHBondContact O-N 3.4Å; V880-W884 PolarHBondContact O-N 3.24Å; V880-F1026 HydrophobicContact CG1-CD1 3.7Å; V880-F1026 HydrophobicContact CG1-CE1 3.88Å; V880-F1026 HydrophobicContact CG1-CG 4.35Å
881	Q	86.2	Confident	80.6	Confident	3 Å²	3	16.7 Å²	16.7	1%	0.014	9%	0.085	C	C	.	.	H	α-helix	trans	-65.2	-38.1	176.6	-66.4	169.3	-13.3	0	0	111.2	K878 A879 W884 V885 F971 F1026 S1027	K878-Q881 WeakPolarHBondContact O-CB 3.46Å; K878-Q881 PolarHBondContact O-N 3.44Å; K878-Q881 VanDerWaalsContact O-N 3.1Å; A879-Q881 PolarHBondContact O-N 3.24Å; Q881-W884 WeakPolarHBondContact O-CB 3.35Å; Q881-W884 PolarHBondContact O-N 3.09Å; Q881-V885 WeakPolarHBondContact O-CG2 3.16Å; Q881-V885 PolarHBondContact O-N 3.12Å; Q881-F971 HydrophobicContact CB-CD2 3.86Å; Q881-F971 HydrophobicContact CB-CE2 3.69Å; Q881-F971 HydrophobicContact CB-CZ 4.27Å; Q881-F971 HydrophobicContact CG-CD1 4.5Å; Q881-F971 HydrophobicContact CG-CD2 4.08Å; Q881-F971 HydrophobicContact CG-CE1 4.43Å; Q881-F971 HydrophobicContact CG-CE2 4Å; Q881-F971 HydrophobicContact CG-CG 4.32Å; Q881-F971 HydrophobicContact CG-CZ 4.18Å; Q881-F1026 VanDerWaalsContact CG-O 3.31Å; Q881-F1026 WeakPolarHBondContact CG-O 3.46Å; Q881-F1026 PolarHBondContact NE2-O 3.03Å; Q881-S1027 PolarHBondContact NE2-O 3.41Å
882	M	82.3	Confident	80.8	Confident	2 Å²	2	14.5 Å²	14.5	1%	0.01	7%	0.074	C	C	.	.	H	α-helix	trans	-67.7	-37.6	176.5	-71.8	-68.8	-100.7	0	0	112.3	T420 V424 A861 A865 L877 K878 A879 V880 W884 V885 N886	T420-M882 HydrophobicContact CG2-CB 3.69Å; T420-M882 HydrophobicContact CG2-CG 3.86Å; V424-M882 HydrophobicContact CB-CE 4.07Å; V424-M882 HydrophobicContact CG1-CE 4.04Å; V424-M882 HydrophobicContact CG2-CB 3.95Å; V424-M882 HydrophobicContact CG2-CE 3.64Å; V424-M882 HydrophobicContact CG2-CG 4.47Å; V424-M882 HydrophobicContact CG2-SD 4.16Å; A861-M882 HydrophobicContact CB-CE 4.3Å; A865-M882 HydrophobicContact CB-CE 4.18Å; L877-M882 HydrophobicContact CB-CG 3.81Å; L877-M882 HydrophobicContact CB-SD 3.68Å; L877-M882 HydrophobicContact CD1-SD 3.57Å; L877-M882 VanDerWaalsContact CD1-SD 3.57Å; L877-M882 HydrophobicContact CG-SD 4.28Å; K878-M882 WeakPolarHBondContact O-CG 3.12Å; K878-M882 PolarHBondContact O-N 3.39Å; A879-M882 PolarHBondContact O-N 3.39Å; V880-M882 VanDerWaalsContact C-N 3.32Å; V880-M882 PolarHBondContact O-N 3.2Å; M882-W884 VanDerWaalsContact C-N 3.34Å; M882-V885 PolarHBondContact O-N 3.47Å; M882-N886 WeakPolarHBondContact O-CB 3.35Å; M882-N886 PolarHBondContact O-N 2.89Å
883	L	80.3	Confident	81.6	Confident	13 Å²	13	14.2 Å²	14.2	7%	0.068	7%	0.073	C	C	.	.	H	α-helix	trans	-64.7	-38.1	171.9	-68.6	173.4	0	0	0	112.1	L110 V423 A879 V880 N886 L887	L110-L883 HydrophobicContact CD2-CD1 4.16Å; L110-L883 HydrophobicContact CD2-CD2 3.89Å; V423-L883 HydrophobicContact CG1-CD2 4.1Å; A879-L883 WeakPolarHBondContact O-CG 3.37Å; A879-L883 PolarHBondContact O-N 2.93Å; V880-L883 PolarHBondContact O-N 3.4Å; L883-N886 WeakPolarHBondContact O-CB 3.42Å; L883-N886 PolarHBondContact O-N 3.36Å; L883-L887 PolarHBondContact O-N 3.22Å
884	W	87.4	Confident	82.3	Confident	21 Å²	21	11.2 Å²	11.2	8%	0.08	6%	0.058	C	C	.	.	H	α-helix	trans	-63.6	-44.5	173	168.7	-112.3	0	0	0	112.1	V880 Q881 M882 N886 L887 I888 F971 T1011 L1014 I1018	V880-W884 PolarHBondContact O-N 3.24Å; Q881-W884 WeakPolarHBondContact O-CB 3.35Å; Q881-W884 PolarHBondContact O-N 3.09Å; M882-W884 VanDerWaalsContact C-N 3.34Å; W884-N886 VanDerWaalsContact C-N 3.33Å; W884-N886 PolarHBondContact O-N 2.87Å; W884-L887 HydrophobicContact CE3-CD2 4.17Å; W884-L887 HydrophobicContact CZ3-CD2 4.03Å; W884-L887 WeakPolarHBondContact O-CB 3.35Å; W884-L887 PolarHBondContact O-N 3.47Å; W884-I888 HydrophobicContact CD2-CD1 4.18Å; W884-I888 HydrophobicContact CD2-CG1 4.37Å; W884-I888 VanDerWaalsContact CE2-CD1 3.47Å; W884-I888 HydrophobicContact CH2-CD1 4.38Å; W884-I888 HydrophobicContact CH2-CG1 4.19Å; W884-I888 HydrophobicContact CZ2-CD1 3.62Å; W884-I888 HydrophobicContact CZ2-CG1 3.93Å; W884-I888 WeakPolarHBondContact O-CG1 3.24Å; W884-I888 PolarHBondContact O-N 3.31Å; W884-I888 VanDerWaalsContact O-N 3.1Å; W884-F971 AromaticContact CD1-CZ 3.65Å; W884-T1011 HydrophobicContact CH2-CG2 4.47Å; W884-T1011 HydrophobicContact CZ2-CG2 4.1Å; W884-L1014 HydrophobicContact CH2-CB 4.07Å; W884-L1014 HydrophobicContact CH2-CD2 3.3Å; W884-L1014 HydrophobicContact CH2-CG 3.59Å; W884-L1014 HydrophobicContact CZ2-CB 4.37Å; W884-L1014 HydrophobicContact CZ2-CD2 4.28Å; W884-L1014 HydrophobicContact CZ2-CG 4.09Å; W884-L1014 HydrophobicContact CZ3-CD2 3.59Å; W884-L1014 HydrophobicContact CZ3-CG 4.17Å; W884-I1018 HydrophobicContact CD2-CD1 3.69Å; W884-I1018 HydrophobicContact CE3-CD1 4.04Å; W884-I1018 HydrophobicContact CG-CD1 4.22Å; W884-I1018 HydrophobicContact CH2-CD1 4.21Å; W884-I1018 HydrophobicContact CZ2-CD1 3.78Å; W884-I1018 HydrophobicContact CZ3-CD1 4.29Å
885	V	86.7	Confident	82.9	Confident	5 Å²	5	13 Å²	13	3%	0.03	7%	0.068	C	C	.	.	H	α-helix	trans	-60.1	-44.3	173.9	171.6	0	0	0	0	110.7	V857 Q881 M882 L887 I888 M889 F971 F974 V975	V857-V885 HydrophobicContact CG1-CG1 4.02Å; Q881-V885 WeakPolarHBondContact O-CG2 3.16Å; Q881-V885 PolarHBondContact O-N 3.12Å; M882-V885 PolarHBondContact O-N 3.47Å; V885-L887 VanDerWaalsContact C-N 3.31Å; V885-L887 PolarHBondContact O-N 2.83Å; V885-I888 WeakPolarHBondContact O-CB 3.47Å; V885-I888 PolarHBondContact O-N 3.17Å; V885-M889 HydrophobicContact CG1-SD 3.9Å; V885-M889 VanDerWaalsContact O-CG 3.23Å; V885-M889 WeakPolarHBondContact O-CG 3.5Å; V885-M889 PolarHBondContact O-N 2.93Å; V885-F971 HydrophobicContact CG2-CE2 4.35Å; V885-F974 HydrophobicContact CB-CE1 4.48Å; V885-F974 HydrophobicContact CG1-CE1 3.83Å; V885-F974 HydrophobicContact CG1-CZ 4.46Å; V885-F974 HydrophobicContact CG2-CD1 4.11Å; V885-F974 HydrophobicContact CG2-CE1 3.88Å; V885-V975 HydrophobicContact CG2-CG2 4.29Å
886	N	82.4	Confident	83.5	Confident	9 Å²	9	12.7 Å²	12.7	5%	0.048	7%	0.065	C	C	.	.	H	α-helix	trans	-55.6	-46.4	175.9	-179.4	-57.1	0	0	0	110.8	V423 M882 L883 W884 I888 M889 D890	V423-N886 PolarHBondContact O-ND2 3.47Å; M882-N886 WeakPolarHBondContact O-CB 3.35Å; M882-N886 PolarHBondContact O-N 2.89Å; L883-N886 WeakPolarHBondContact O-CB 3.42Å; L883-N886 PolarHBondContact O-N 3.36Å; W884-N886 VanDerWaalsContact C-N 3.33Å; W884-N886 PolarHBondContact O-N 2.87Å; N886-I888 VanDerWaalsContact C-N 3.34Å; N886-I888 PolarHBondContact O-N 3.09Å; N886-M889 WeakPolarHBondContact O-CG 3.44Å; N886-M889 PolarHBondContact O-N 2.74Å; N886-D890 WeakPolarHBondContact O-CB 3.32Å; N886-D890 PolarHBondContact O-N 3.34Å; N886-D890 PolarHBondContact OD1-OD2 2.87Å
887	L	83.2	Confident	84.1	Confident	18 Å²	18	12.7 Å²	12.7	9%	0.094	7%	0.065	C	C	.	.	I	π-helix	trans	-60.5	-41.6	177.8	-171.7	68.6	0	0	0	113	V166 L883 W884 V885 T891 L892	V166-L887 HydrophobicContact CB-CD1 4.21Å; V166-L887 HydrophobicContact CG1-CD1 3.96Å; L883-L887 PolarHBondContact O-N 3.22Å; W884-L887 HydrophobicContact CE3-CD2 4.17Å; W884-L887 HydrophobicContact CZ3-CD2 4.03Å; W884-L887 WeakPolarHBondContact O-CB 3.35Å; W884-L887 PolarHBondContact O-N 3.47Å; V885-L887 VanDerWaalsContact C-N 3.31Å; V885-L887 PolarHBondContact O-N 2.83Å; L887-T891 PolarHBondContact O-N 3.49Å; L887-L892 PolarHBondContact O-N 3.26Å; L887-L892 VanDerWaalsContact O-N 3.17Å
888	I	86.6	Confident	84.2	Confident	7 Å²	7	12.5 Å²	12.5	4%	0.036	7%	0.065	C	C	.	.	I	π-helix	trans	-61.8	-52.3	175.6	-66.4	170.8	0	0	0	109.9	W884 V885 N886 A893 V975 T1011	W884-I888 HydrophobicContact CD2-CD1 4.18Å; W884-I888 HydrophobicContact CD2-CG1 4.37Å; W884-I888 VanDerWaalsContact CE2-CD1 3.47Å; W884-I888 HydrophobicContact CH2-CD1 4.38Å; W884-I888 HydrophobicContact CH2-CG1 4.19Å; W884-I888 HydrophobicContact CZ2-CD1 3.62Å; W884-I888 HydrophobicContact CZ2-CG1 3.93Å; W884-I888 WeakPolarHBondContact O-CG1 3.24Å; W884-I888 PolarHBondContact O-N 3.31Å; W884-I888 VanDerWaalsContact O-N 3.1Å; V885-I888 WeakPolarHBondContact O-CB 3.47Å; V885-I888 PolarHBondContact O-N 3.17Å; N886-I888 VanDerWaalsContact C-N 3.34Å; N886-I888 PolarHBondContact O-N 3.09Å; I888-A893 WeakPolarHBondContact O-CB 3.21Å; I888-A893 PolarHBondContact O-N 3.31Å; I888-V975 HydrophobicContact CD1-CG1 3.98Å; I888-T1011 HydrophobicContact CD1-CG2 3.54Å; I888-T1011 HydrophobicContact CG1-CG2 3.65Å; I888-T1011 HydrophobicContact CG2-CG2 4.17Å
889	M	85.6	Confident	84.6	Confident	2 Å²	2	10.5 Å²	10.5	1%	0.01	6%	0.056	C	C	.	.	I	π-helix	trans	-76.5	-36.8	-168.5	70.1	-169.3	-76.2	0	0	113.8	F850 F853 Q854 V857 N858 V885 N886 A893	F850-M889 WeakPolarHBondContact CE2-O 3.44Å; F853-M889 HydrophobicContact CE1-CB 4.2Å; Q854-M889 VanDerWaalsContact OE1-CB 3.28Å; Q854-M889 VanDerWaalsContact OE1-CE 3.28Å; Q854-M889 PolarHBondContact OE1-O 3.37Å; V857-M889 HydrophobicContact CB-CB 4.38Å; V857-M889 HydrophobicContact CB-CE 3.5Å; V857-M889 HydrophobicContact CB-SD 4.15Å; V857-M889 HydrophobicContact CG1-CB 4.12Å; V857-M889 HydrophobicContact CG1-CE 3.47Å; V857-M889 VanDerWaalsContact CG1-CE 3.47Å; V857-M889 HydrophobicContact CG1-CG 4.44Å; V857-M889 HydrophobicContact CG1-SD 3.44Å; V857-M889 WeakPolarHBondContact CG1-SD 3.41Å; V857-M889 HydrophobicContact CG2-CB 4.39Å; N858-M889 HydrophobicContact CB-CE 4.43Å; N858-M889 WeakPolarHBondContact OD1-CE 3.48Å; V885-M889 HydrophobicContact CG1-SD 3.9Å; V885-M889 VanDerWaalsContact O-CG 3.23Å; V885-M889 WeakPolarHBondContact O-CG 3.5Å; V885-M889 PolarHBondContact O-N 2.93Å; N886-M889 WeakPolarHBondContact O-CG 3.44Å; N886-M889 PolarHBondContact O-N 2.74Å; M889-A893 WeakPolarHBondContact O-CB 2.8Å
890	D	82.5	Confident	85	Confident	3 Å²	3	10.6 Å²	10.6	2%	0.016	6%	0.055	C	C	.	.	I	π-helix	trans	-86.2	-68.2	-179.8	-86.1	-52.2	0	0	0	111.3	G429 Q854 N886 S894	G429-D890 VanDerWaalsContact CA-OD1 3.24Å; G429-D890 WeakPolarHBondContact CA-OD1 3.47Å; G429-D890 PolarHBondContact N-OD1 2.95Å; Q854-D890 VanDerWaalsContact CD-OD1 3.28Å; Q854-D890 PolarHBondContact NE2-OD1 3.33Å; Q854-D890 PolarHBondContact NE2-OD2 3.23Å; N886-D890 WeakPolarHBondContact O-CB 3.32Å; N886-D890 PolarHBondContact O-N 3.34Å; N886-D890 PolarHBondContact OD1-OD2 2.87Å; D890-S894 WeakPolarHBondContact O-CB 3.44Å; D890-S894 PolarHBondContact O-N 3.48Å; D890-S894 VanDerWaalsContact O-N 3.11Å; D890-S894 PolarHBondContact O-OG 3.1Å
891	T	81.6	Confident	85.3	Confident	12 Å²	12	12.4 Å²	12.4	7%	0.074	7%	0.067	C	C	.	.	I	π-helix	trans	-80.6	-46.4	-165	-55.3	0	0	0	0	112.5	V166 N170 L887 S894 L895	V166-T891 HydrophobicContact CG1-CG2 3.99Å; N170-T891 WeakPolarHBondContact ND2-CG2 3.44Å; L887-T891 PolarHBondContact O-N 3.49Å; T891-S894 PolarHBondContact O-OG 3.05Å; T891-S894 VanDerWaalsContact O-OG 3.05Å; T891-L895 PolarHBondContact O-N 3.35Å
892	L	86.4	Confident	85.5	Confident	44 Å²	44	13.7 Å²	13.7	23%	0.23	8%	0.075	C	C	.	.	I	π-helix	trans	-72.5	-45.6	-177.4	-66.9	-180	0	0	0	111.7	L887 L895 A896 V1007	L887-L892 PolarHBondContact O-N 3.26Å; L887-L892 VanDerWaalsContact O-N 3.17Å; L892-L895 PolarHBondContact O-N 2.95Å; L892-A896 WeakPolarHBondContact O-CB 3.44Å; L892-A896 PolarHBondContact O-N 3.49Å; L892-V1007 HydrophobicContact CB-CG1 3.88Å
893	A	87.1	Confident	85.8	Confident	0 Å²	0	17 Å²	17	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-72.7	-32.5	179.7	0	0	0	0	0	113.1	F853 I888 M889 L895 A896 L897	F853-A893 HydrophobicContact CD1-CB 3.55Å; F853-A893 HydrophobicContact CE1-CB 3.25Å; F853-A893 HydrophobicContact CZ-CB 4.32Å; I888-A893 WeakPolarHBondContact O-CB 3.21Å; I888-A893 PolarHBondContact O-N 3.31Å; M889-A893 WeakPolarHBondContact O-CB 2.8Å; A893-L895 VanDerWaalsContact C-N 3.32Å; A893-L895 PolarHBondContact O-N 2.99Å; A893-A896 PolarHBondContact O-N 2.64Å; A893-L897 WeakPolarHBondContact O-CB 3.36Å; A893-L897 PolarHBondContact O-N 3.01Å
894	S	85.4	Confident	86.1	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.4	-43.9	170.1	62.9	0	0	0	0	110.8	D890 T891 A896 A898	D890-S894 WeakPolarHBondContact O-CB 3.44Å; D890-S894 PolarHBondContact O-N 3.48Å; D890-S894 VanDerWaalsContact O-N 3.11Å; D890-S894 PolarHBondContact O-OG 3.1Å; T891-S894 PolarHBondContact O-OG 3.05Å; T891-S894 VanDerWaalsContact O-OG 3.05Å; S894-A896 PolarHBondContact O-N 2.96Å; S894-A898 WeakPolarHBondContact O-CA 3.36Å; S894-A898 WeakPolarHBondContact O-CB 3.44Å; S894-A898 PolarHBondContact O-N 3.13Å
895	L	84.9	Confident	86.2	Confident	57 Å²	57	24.1 Å²	24.1	30%	0.298	14%	0.137	S	C	.	.	H	α-helix	trans	-62.8	-41.1	175.6	-178.9	63.7	0	0	0	112.4	I436 T891 L892 A893 T899 I1003	I436-L895 HydrophobicContact CG2-CD1 4.05Å; T891-L895 PolarHBondContact O-N 3.35Å; L892-L895 PolarHBondContact O-N 2.95Å; A893-L895 VanDerWaalsContact C-N 3.32Å; A893-L895 PolarHBondContact O-N 2.99Å; L895-T899 HydrophobicContact CD1-CG2 4.23Å; L895-T899 WeakPolarHBondContact O-CB 3.34Å; L895-T899 WeakPolarHBondContact O-CG2 3.32Å; L895-T899 PolarHBondContact O-OG1 3.18Å; L895-I1003 HydrophobicContact CD1-CG2 4.48Å; L895-I1003 HydrophobicContact CD2-CG2 4.33Å; L895-I1003 HydrophobicContact CG-CG2 3.92Å
896	A	88.9	Confident	86.3	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-71.2	-48.9	-177.3	0	0	0	0	0	112.9	L892 A893 S894 T899 E982 N1001 F1004 V1007	L892-A896 WeakPolarHBondContact O-CB 3.44Å; L892-A896 PolarHBondContact O-N 3.49Å; A893-A896 PolarHBondContact O-N 2.64Å; S894-A896 PolarHBondContact O-N 2.96Å; A896-T899 PolarHBondContact O-OG1 3.13Å; A896-E982 WeakPolarHBondContact CB-OE1 3.45Å; A896-N1001 PolarHBondContact O-ND2 2.84Å; A896-F1004 HydrophobicContact CB-CD2 3.93Å; A896-V1007 HydrophobicContact CB-CB 3.99Å; A896-V1007 HydrophobicContact CB-CG1 4Å; A896-V1007 HydrophobicContact CB-CG2 4.18Å
897	L	89.6	Confident	86.7	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-83.6	-28.4	-174.8	-64.9	173.6	0	0	0	112.9	F850 F853 A893 T899 E982 R986 F1004	F850-L897 HydrophobicContact CB-CB 4.25Å; F853-L897 HydrophobicContact CB-CD1 3.73Å; F853-L897 HydrophobicContact CD1-CD1 4.1Å; F853-L897 HydrophobicContact CG-CD1 4.03Å; A893-L897 WeakPolarHBondContact O-CB 3.36Å; A893-L897 PolarHBondContact O-N 3.01Å; L897-T899 VanDerWaalsContact C-N 3.29Å; L897-T899 PolarHBondContact O-N 3.3Å; L897-E982 HydrophobicContact CD1-CG 4.18Å; L897-E982 HydrophobicContact CD2-CG 4.34Å; L897-E982 HydrophobicContact CG-CG 4.32Å; L897-R986 HydrophobicContact CD2-CG 3.81Å; L897-F1004 HydrophobicContact CD2-CD2 4.27Å; L897-F1004 HydrophobicContact CD2-CE2 3.89Å
898	A	85.9	Confident	87	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-74.9	-16.7	178.7	0	0	0	0	0	113.8	S437 S894	S437-A898 PolarHBondContact OG-O 2.68Å; S894-A898 WeakPolarHBondContact O-CA 3.36Å; S894-A898 WeakPolarHBondContact O-CB 3.44Å; S894-A898 PolarHBondContact O-N 3.13Å
899	T	87.1	Confident	87	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.012	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	15.1	-170.7	56.8	0	0	0	0	114.7	I436 Y440 L895 A896 L897 N1001 I1003	I436-T899 HydrophobicContact CG2-CG2 4.5Å; Y440-T899 HydrophobicContact CD1-CG2 4.18Å; Y440-T899 HydrophobicContact CD2-CG2 4.11Å; Y440-T899 WeakPolarHBondContact CE1-O 3.46Å; Y440-T899 HydrophobicContact CG-CG2 3.93Å; Y440-T899 PolarHBondContact OH-O 3.43Å; L895-T899 HydrophobicContact CD1-CG2 4.23Å; L895-T899 WeakPolarHBondContact O-CB 3.34Å; L895-T899 WeakPolarHBondContact O-CG2 3.32Å; L895-T899 PolarHBondContact O-OG1 3.18Å; A896-T899 PolarHBondContact O-OG1 3.13Å; L897-T899 VanDerWaalsContact C-N 3.29Å; L897-T899 PolarHBondContact O-N 3.3Å; T899-N1001 PolarHBondContact OG1-ND2 3.34Å; T899-I1003 HydrophobicContact CG2-CD1 4.3Å
900	E	85.2	Confident	87.1	Confident	13 Å²	13	39.5 Å²	39.5	6%	0.061	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-66.2	140.2	178.2	-74.5	-146.5	133.7	0	0	113.2	N842 K849 R986	N842-E900 PolarHBondContact ND2-O 3.23Å; K849-E900 IonicContact NZ-OE2 3.28Å; K849-E900 PolarHBondContact NZ-OE2 3.39Å; E900-R986 IonicContact OE1-CZ 3.59Å; E900-R986 IonicContact OE1-NE 2.67Å; E900-R986 PolarHBondContact OE1-NE 2.91Å; E900-R986 IonicContact OE1-NH2 2.92Å; E900-R986 PolarHBondContact OE1-NH2 3.45Å
901	P	87.2	Confident	87.1	Confident	49 Å²	49	40.7 Å²	40.7	32%	0.318	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-74.8	148.9	174.7	30.9	-33.9	0	0	0	112.1	K1000	P901-K1000 HydrophobicContact CG-CB 4.46Å
902	P	89.9	Confident	86.8	Confident	29 Å²	29	41.7 Å²	41.7	19%	0.188	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-67.8	159.4	178.1	28.1	-35.4	0	0	0	112.9	M838 W839 N842 L906	M838-P902 HydrophobicContact CG-CB 3.78Å; M838-P902 HydrophobicContact SD-CB 3.85Å; M838-P902 HydrophobicContact SD-CG 4.24Å; W839-P902 HydrophobicContact CD2-CG 3.94Å; W839-P902 HydrophobicContact CE3-CG 4.24Å; W839-P902 HydrophobicContact CG-CG 4.46Å; W839-P902 VanDerWaalsContact CH2-CD 3.43Å; W839-P902 HydrophobicContact CH2-CG 4.14Å; W839-P902 HydrophobicContact CZ2-CG 3.83Å; W839-P902 HydrophobicContact CZ3-CG 4.35Å; N842-P902 HydrophobicContact CB-CB 3.88Å; P902-L906 HydrophobicContact CB-CD1 4.08Å
903	T	87.6	Confident	86.2	Confident	73 Å²	73	40.3 Å²	40.3	45%	0.448	21%	0.213	S	C	.	.			trans	-128.5	154.7	175.6	54.6	0	0	0	0	111.1	S905 L906	T903-S905 PolarHBondContact O-N 3.4Å; T903-S905 PolarHBondContact OG1-OG 2.94Å; T903-L906 WeakPolarHBondContact O-CB 3.45Å; T903-L906 WeakPolarHBondContact O-CG 3.41Å; T903-L906 PolarHBondContact O-N 3.1Å
904	E	88.1	Confident	85.5	Confident	122 Å²	122	44 Å²	44	57%	0.57	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-67.2	-19.4	179.8	-68.3	-155.5	141	0	0	113.5	K691 M838 L906 L907	K691-E904 IonicContact NZ-OE1 2.68Å; K691-E904 PolarHBondContact NZ-OE1 3.37Å; M838-E904 HydrophobicContact CE-CG 4.13Å; E904-L906 PolarHBondContact O-N 2.8Å; E904-L907 WeakPolarHBondContact O-CB 3.31Å; E904-L907 PolarHBondContact O-N 3.39Å
905	S	87.9	Confident	84.8	Confident	61 Å²	61	49.4 Å²	49.4	43%	0.427	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-60.9	-25.4	175	59.1	0	0	0	0	112.3	T903 L907 L908	T903-S905 PolarHBondContact O-N 3.4Å; T903-S905 PolarHBondContact OG1-OG 2.94Å; S905-L907 PolarHBondContact O-N 2.93Å; S905-L908 WeakPolarHBondContact O-CB 3.4Å; S905-L908 PolarHBondContact O-N 3.47Å
906	L	88.9	Confident	84.5	Confident	8 Å²	8	51.2 Å²	51.2	4%	0.042	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-60.5	-23.8	173.9	-62.4	175.9	0	0	0	112.7	M838 R841 N842 D845 P902 T903 E904	M838-L906 HydrophobicContact CG-CD1 4.37Å; R841-L906 HydrophobicContact CB-CB 4.35Å; R841-L906 VanDerWaalsContact CD-O 3.31Å; R841-L906 WeakPolarHBondContact CD-O 3.48Å; R841-L906 PolarHBondContact NH1-O 3.41Å; N842-L906 HydrophobicContact CB-CD1 3.81Å; D845-L906 WeakPolarHBondContact OD2-CD2 3.49Å; P902-L906 HydrophobicContact CB-CD1 4.08Å; T903-L906 WeakPolarHBondContact O-CB 3.45Å; T903-L906 WeakPolarHBondContact O-CG 3.41Å; T903-L906 PolarHBondContact O-N 3.1Å; E904-L906 PolarHBondContact O-N 2.8Å
907	L	90.8	Very high	84.2	Confident	13 Å²	13	54.4 Å²	54.4	7%	0.068	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-88.5	-3.2	178.2	-60	-179.5	0	0	0	113.5	A695 V834 V837 M838 E904 S905	A695-L907 WeakPolarHBondContact CA-O 3.26Å; A695-L907 HydrophobicContact CB-CB 4.37Å; A695-L907 HydrophobicContact CB-CD2 4.39Å; A695-L907 WeakPolarHBondContact CB-O 3.09Å; V834-L907 HydrophobicContact CG1-CD1 3.79Å; V837-L907 HydrophobicContact CG1-CD2 4.07Å; M838-L907 HydrophobicContact CB-CD2 4.35Å; M838-L907 HydrophobicContact CE-CD1 3.62Å; M838-L907 HydrophobicContact CE-CG 4.18Å; E904-L907 WeakPolarHBondContact O-CB 3.31Å; E904-L907 PolarHBondContact O-N 3.39Å; S905-L907 PolarHBondContact O-N 2.93Å
908	L	90.4	Very high	83.7	Confident	123 Å²	123	55.2 Å²	55.2	64%	0.644	29%	0.286	S	S	*	.	S	Bend	trans	-87.3	-9.3	179.1	-61.2	177.8	0	0	0	113.5	S905	S905-L908 WeakPolarHBondContact O-CB 3.4Å; S905-L908 PolarHBondContact O-N 3.47Å
909	R	86.3	Confident	83.7	Confident	52 Å²	52	57 Å²	57	20%	0.196	30%	0.295	C	S	.	.	S	Bend	trans	-111.2	160.9	-179.5	67.5	-179.8	-169.5	-146.2	-2.6	111.8	R841 D845 Y912 H989	R841-R909 PolarHBondContact NH1-O 3.19Å; D845-R909 IonicContact OD1-CZ 2.83Å; D845-R909 IonicContact OD1-NH1 2.84Å; D845-R909 IonicContact OD1-NH2 2.98Å; D845-R909 PolarHBondContact OD1-NH2 3.43Å; D845-R909 IonicContact OD2-CZ 2.72Å; D845-R909 IonicContact OD2-NH1 3.71Å; D845-R909 PolarHBondContact OD2-NH1 2.7Å; D845-R909 IonicContact OD2-NH2 3.43Å; D845-R909 PolarHBondContact OD2-NH2 3.31Å; R909-Y912 PolarHBondContact NH1-OH 3.41Å; R909-Y912 VanDerWaalsContact NH1-OH 3.08Å; R909-Y912 VanDerWaalsContact NH2-CE2 3.29Å; R909-Y912 PolarHBondContact NH2-OH 3.41Å; R909-H989 PolarHBondContact NH1-CE1 3.09Å; R909-H989 PolarHBondContact NH1-NE2 2.96Å; R909-H989 VanDerWaalsContact NH1-NE2 3.2Å
910	K	86.8	Confident	83.6	Confident	168 Å²	168	58.7 Å²	58.7	73%	0.73	31%	0.308	S	S	*	.			trans	-73.1	157.5	170.9	-68	-173.7	178.8	-175.5	0	111.2
911	P	84.1	Confident	83.5	Confident	27 Å²	27	63.4 Å²	63.4	18%	0.175	33%	0.325	C	S	.	.			trans	-61.9	156.1	173.7	25.2	-33.1	0	0	0	112.1	T465	T465-P911 HydrophobicContact CG2-CG 3.82Å
912	Y	75.2	Confident	83.5	Confident	33 Å²	33	63.1 Å²	63.1	13%	0.129	32%	0.322	C	S	.	.			trans	-76	-25.7	-173.3	-73.2	-71.7	0	0	0	114	Y844 D845 R909 K916 H989	Y844-Y912 AromaticContact CD1-CD2 3.7Å; Y844-Y912 HydrophobicContact CD1-CD2 3.7Å; Y844-Y912 AromaticContact CD1-CE2 3.48Å; Y844-Y912 HydrophobicContact CD1-CE2 3.48Å; Y844-Y912 VanDerWaalsContact CD1-CE2 3.48Å; Y844-Y912 HydrophobicContact CD1-CG 4.46Å; Y844-Y912 HydrophobicContact CE1-CD1 4.45Å; Y844-Y912 AromaticContact CE1-CD2 3.84Å; Y844-Y912 HydrophobicContact CE1-CD2 3.84Å; Y844-Y912 HydrophobicContact CE1-CE1 4.45Å; Y844-Y912 AromaticContact CE1-CE2 3.8Å; Y844-Y912 HydrophobicContact CE1-CE2 3.8Å; Y844-Y912 HydrophobicContact CE1-CG 4.15Å; Y844-Y912 HydrophobicContact CG-CD2 4.28Å; Y844-Y912 HydrophobicContact CG-CE2 4.34Å; D845-Y912 WeakPolarHBondContact OD1-CE2 3.38Å; D845-Y912 PolarHBondContact OD1-OH 3.47Å; R909-Y912 PolarHBondContact NH1-OH 3.41Å; R909-Y912 VanDerWaalsContact NH1-OH 3.08Å; R909-Y912 VanDerWaalsContact NH2-CE2 3.29Å; R909-Y912 PolarHBondContact NH2-OH 3.41Å; Y912-K916 HydrophobicContact CD1-CD 3.92Å; Y912-K916 WeakPolarHBondContact O-CB 3.27Å; Y912-K916 VanDerWaalsContact O-CD 3.27Å; Y912-K916 WeakPolarHBondContact O-CD 3.49Å; Y912-H989 AromaticContact CZ-NE2 3.93Å; Y912-H989 PolarHBondContact OH-CE1 2.94Å; Y912-H989 PolarHBondContact OH-NE2 3.36Å
913	G	72.9	Confident	83.5	Confident	16 Å²	16	61.9 Å²	61.9	17%	0.165	31%	0.314	C	S	.	.			trans	80.6	152.4	-174.2	0	0	0	0	0	112.9	D915	G913-D915 VanDerWaalsContact C-N 3.35Å; G913-D915 PolarHBondContact O-N 3.32Å
914	R	72.4	Confident	83.5	Confident	78 Å²	78	60.6 Å²	60.6	29%	0.294	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-29.8	-176.6	-71.7	-177.7	77.5	150.6	0.2	113.3	V356 K360 V786 D804	V356-R914 VanDerWaalsContact CG2-NH2 3.3Å; K360-R914 WeakPolarHBondContact CE-O 3.37Å; K360-R914 PolarHBondContact NZ-O 3.41Å; V786-R914 HydrophobicContact CG2-CG 4.39Å; D804-R914 IonicContact OD1-NH1 3.29Å
915	D	71.6	Confident	83.6	Confident	113 Å²	113	55.8 Å²	55.8	60%	0.604	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-4.9	-172.4	-48.8	-37.3	0	0	0	113.5	G913	G913-D915 VanDerWaalsContact C-N 3.35Å; G913-D915 PolarHBondContact O-N 3.32Å
916	K	78.2	Confident	83.7	Confident	95 Å²	95	53.7 Å²	53.7	41%	0.413	26%	0.264	S	S	.	.	S	Bend	trans	-66.6	133.4	-178.4	-168.7	173.9	178.9	171	0	110.4	K360 Y912	K360-K916 PolarHBondContact NZ-O 3.06Å; Y912-K916 HydrophobicContact CD1-CD 3.92Å; Y912-K916 WeakPolarHBondContact O-CB 3.27Å; Y912-K916 VanDerWaalsContact O-CD 3.27Å; Y912-K916 WeakPolarHBondContact O-CD 3.49Å
917	P	81.3	Confident	83.9	Confident	67 Å²	67	53.6 Å²	53.6	44%	0.435	26%	0.264	S	S	.	.			trans	-61.8	144.1	178.7	25.2	-34.9	0	0	0	110.8
918	L	80.9	Confident	84	Confident	16 Å²	16	56 Å²	56	8%	0.084	28%	0.276	C	S	.	.	S	Bend	trans	-66.8	-38.7	-179.5	-173.8	58.2	0	0	0	111.9	L357 L361 Y844 L851 S920	L357-L918 HydrophobicContact CD1-CD1 3.44Å; L357-L918 VanDerWaalsContact CD1-CD1 3.44Å; L357-L918 HydrophobicContact CD1-CD2 4.1Å; L357-L918 HydrophobicContact CD1-CG 4.41Å; L361-L918 HydrophobicContact CD2-CD2 3.57Å; L361-L918 HydrophobicContact CG-CD2 3.89Å; Y844-L918 HydrophobicContact CE2-CD1 3.82Å; L851-L918 HydrophobicContact CD1-CD1 4.17Å; L851-L918 HydrophobicContact CD1-CD2 3.48Å; L851-L918 VanDerWaalsContact CD1-CD2 3.48Å; L851-L918 HydrophobicContact CD1-CG 3.7Å; L918-S920 PolarHBondContact O-N 3.49Å
919	I	85.6	Confident	84.1	Confident	38 Å²	38	51 Å²	51	20%	0.195	26%	0.255	C	S	.	.	S	Bend	trans	-89.2	107.2	175.1	-55.7	173.9	0	0	0	108.4	L364 L855 M923 M924	L364-I919 HydrophobicContact CD1-CD1 4.04Å; L364-I919 HydrophobicContact CD2-CD1 4.44Å; L855-I919 HydrophobicContact CD1-CD1 3.66Å; L855-I919 HydrophobicContact CD1-CG1 4.28Å; I919-M923 HydrophobicContact CB-SD 4.36Å; I919-M923 HydrophobicContact CG1-CE 4.43Å; I919-M923 HydrophobicContact CG1-SD 4.44Å; I919-M923 HydrophobicContact CG2-CB 4.48Å; I919-M923 HydrophobicContact CG2-CG 4.37Å; I919-M923 HydrophobicContact CG2-SD 4.11Å; I919-M924 HydrophobicContact CG2-CB 4.27Å; I919-M924 HydrophobicContact CG2-CE 3.93Å
920	S	84.9	Confident	84.5	Confident	39 Å²	39	48.8 Å²	48.8	27%	0.273	25%	0.247	S	C	.	.			trans	-77.9	162.2	176.8	71.8	0	0	0	0	111.9	L918 T922 M923 M924	L918-S920 PolarHBondContact O-N 3.49Å; S920-T922 VanDerWaalsContact C-N 3.28Å; S920-T922 PolarHBondContact O-N 3.29Å; S920-T922 PolarHBondContact OG-OG1 3.31Å; S920-M923 WeakPolarHBondContact O-CB 3.42Å; S920-M923 PolarHBondContact O-N 3.26Å; S920-M923 VanDerWaalsContact O-N 3.16Å; S920-M923 VanDerWaalsContact OG-CB 3.29Å; S920-M923 WeakPolarHBondContact OG-CB 3.45Å; S920-M923 PolarHBondContact OG-N 3.04Å; S920-M924 PolarHBondContact O-N 3.47Å
921	R	83.6	Confident	84.9	Confident	112 Å²	112	40.9 Å²	40.9	42%	0.423	21%	0.213	S	C	.	.	H	α-helix	trans	-60.7	-36.4	176.2	-65.6	-179.8	-179.4	168.8	-0.6	112.9	K925	R921-K925 WeakPolarHBondContact O-CB 3.26Å; R921-K925 PolarHBondContact O-N 3.17Å
922	T	86	Confident	85.4	Confident	43 Å²	43	43.4 Å²	43.4	26%	0.264	23%	0.228	S	C	.	.	H	α-helix	trans	-68.2	-40.2	176	46.8	0	0	0	0	111.2	S920 K925 N926 T1058	S920-T922 VanDerWaalsContact C-N 3.28Å; S920-T922 PolarHBondContact O-N 3.29Å; S920-T922 PolarHBondContact OG-OG1 3.31Å; T922-K925 WeakPolarHBondContact O-CB 3.47Å; T922-K925 PolarHBondContact O-N 3.13Å; T922-N926 VanDerWaalsContact O-CG 3.29Å; T922-N926 PolarHBondContact O-N 3.27Å; T922-N926 PolarHBondContact O-OD1 3.06Å; T922-T1058 HydrophobicContact CG2-CG2 3.79Å
923	M	89.4	Confident	86.3	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-65.1	-44.9	175.5	-174.8	-175.2	174.5	0	0	111.7	S848 L851 Q852 L855 I919 S920 K925 N926 I927	S848-M923 WeakPolarHBondContact O-CE 3.03Å; L851-M923 HydrophobicContact CB-CE 3.36Å; Q852-M923 HydrophobicContact CB-CE 3.97Å; Q852-M923 HydrophobicContact CB-CG 4Å; Q852-M923 HydrophobicContact CG-CG 4.04Å; Q852-M923 VanDerWaalsContact N-CE 3.27Å; L855-M923 HydrophobicContact CD1-CE 4.45Å; I919-M923 HydrophobicContact CB-SD 4.36Å; I919-M923 HydrophobicContact CG1-CE 4.43Å; I919-M923 HydrophobicContact CG1-SD 4.44Å; I919-M923 HydrophobicContact CG2-CB 4.48Å; I919-M923 HydrophobicContact CG2-CG 4.37Å; I919-M923 HydrophobicContact CG2-SD 4.11Å; S920-M923 WeakPolarHBondContact O-CB 3.42Å; S920-M923 PolarHBondContact O-N 3.26Å; S920-M923 VanDerWaalsContact O-N 3.16Å; S920-M923 VanDerWaalsContact OG-CB 3.29Å; S920-M923 WeakPolarHBondContact OG-CB 3.45Å; S920-M923 PolarHBondContact OG-N 3.04Å; M923-K925 VanDerWaalsContact C-N 3.32Å; M923-K925 PolarHBondContact O-N 3.46Å; M923-N926 PolarHBondContact O-N 3.23Å; M923-N926 VanDerWaalsContact O-N 3.12Å; M923-I927 HydrophobicContact CE-CD1 4.22Å; M923-I927 HydrophobicContact CG-CD1 3.96Å; M923-I927 VanDerWaalsContact O-CG1 3.31Å; M923-I927 WeakPolarHBondContact O-CG1 3.46Å; M923-I927 PolarHBondContact O-N 3.35Å
924	M	88.6	Confident	87.4	Confident	47 Å²	47	42.5 Å²	42.5	23%	0.232	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-40.8	175.1	-173.4	62.5	78.5	0	0	111.9	I919 S920 N926 I927 L928 L1064	I919-M924 HydrophobicContact CG2-CB 4.27Å; I919-M924 HydrophobicContact CG2-CE 3.93Å; S920-M924 PolarHBondContact O-N 3.47Å; M924-N926 VanDerWaalsContact C-N 3.32Å; M924-N926 PolarHBondContact O-N 3.4Å; M924-I927 PolarHBondContact O-N 3.32Å; M924-L928 HydrophobicContact CG-CD1 4.02Å; M924-L928 HydrophobicContact CG-CG 4.39Å; M924-L928 WeakPolarHBondContact O-CB 3.36Å; M924-L928 WeakPolarHBondContact O-CG 3.5Å; M924-L928 PolarHBondContact O-N 3.49Å; M924-L928 HydrophobicContact SD-CD1 4.08Å; M924-L928 HydrophobicContact SD-CG 4.06Å; M924-L1064 HydrophobicContact CB-CD2 4.39Å; M924-L1064 HydrophobicContact CG-CD2 3.71Å
925	K	89.9	Confident	88.5	Confident	20 Å²	20	40 Å²	40	9%	0.087	21%	0.212	C	C	.	.	H	α-helix	trans	-56.7	-47.2	172.6	-179.8	-169.4	65.4	155.9	0	111.2	R921 T922 M923 G929 I1053 I1056 T1058 L1061 L1064	R921-K925 WeakPolarHBondContact O-CB 3.26Å; R921-K925 PolarHBondContact O-N 3.17Å; T922-K925 WeakPolarHBondContact O-CB 3.47Å; T922-K925 PolarHBondContact O-N 3.13Å; M923-K925 VanDerWaalsContact C-N 3.32Å; M923-K925 PolarHBondContact O-N 3.46Å; K925-G929 WeakPolarHBondContact O-CA 3.41Å; K925-G929 PolarHBondContact O-N 2.87Å; K925-I1053 HydrophobicContact CD-CG2 4.21Å; K925-I1053 HydrophobicContact CG-CG2 4.05Å; K925-I1053 PolarHBondContact NZ-O 2.94Å; K925-I1056 PolarHBondContact NZ-O 3.4Å; K925-T1058 HydrophobicContact CD-CG2 4.32Å; K925-L1061 HydrophobicContact CD-CD1 3.85Å; K925-L1061 HydrophobicContact CG-CD1 3.78Å; K925-L1064 HydrophobicContact CB-CD1 3.89Å; K925-L1064 HydrophobicContact CG-CD1 4.43Å
926	N	91.1	Very high	89.6	Confident	17 Å²	17	39.3 Å²	39.3	9%	0.091	21%	0.208	C	C	.	.	H	α-helix	trans	-64.6	-48.6	179.6	-67.2	-6	0	0	0	110.9	Q852 T922 M923 M924 L928 G929 H930	Q852-N926 HydrophobicContact CG-CB 4.31Å; Q852-N926 PolarHBondContact OE1-ND2 2.94Å; T922-N926 VanDerWaalsContact O-CG 3.29Å; T922-N926 PolarHBondContact O-N 3.27Å; T922-N926 PolarHBondContact O-OD1 3.06Å; M923-N926 PolarHBondContact O-N 3.23Å; M923-N926 VanDerWaalsContact O-N 3.12Å; M924-N926 VanDerWaalsContact C-N 3.32Å; M924-N926 PolarHBondContact O-N 3.4Å; N926-L928 PolarHBondContact O-N 3.14Å; N926-G929 PolarHBondContact O-N 3.42Å; N926-H930 WeakPolarHBondContact O-CB 3.22Å; N926-H930 PolarHBondContact O-CD2 2.86Å; N926-H930 PolarHBondContact O-N 2.66Å
927	I	92.2	Very high	90.4	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-55.4	-54.1	179.3	-67.9	164.8	0	0	0	110.8	Q852 L855 M923 M924 A931	Q852-I927 HydrophobicContact CG-CG1 3.99Å; L855-I927 HydrophobicContact CB-CD1 3.97Å; L855-I927 HydrophobicContact CB-CG1 4.49Å; L855-I927 HydrophobicContact CD1-CD1 4.01Å; M923-I927 HydrophobicContact CE-CD1 4.22Å; M923-I927 HydrophobicContact CG-CD1 3.96Å; M923-I927 VanDerWaalsContact O-CG1 3.31Å; M923-I927 WeakPolarHBondContact O-CG1 3.46Å; M923-I927 PolarHBondContact O-N 3.35Å; M924-I927 PolarHBondContact O-N 3.32Å; I927-A931 WeakPolarHBondContact O-CB 3.36Å; I927-A931 PolarHBondContact O-N 3.44Å
928	L	91.9	Very high	90.9	Very high	63 Å²	63	33.5 Å²	33.5	33%	0.33	18%	0.177	S	C	.	.	H	α-helix	trans	-69.1	-37.7	-178.3	-65.5	178.2	0	0	0	112.3	M924 N926 A931 V932 F1063 L1064	M924-L928 HydrophobicContact CG-CD1 4.02Å; M924-L928 HydrophobicContact CG-CG 4.39Å; M924-L928 WeakPolarHBondContact O-CB 3.36Å; M924-L928 WeakPolarHBondContact O-CG 3.5Å; M924-L928 PolarHBondContact O-N 3.49Å; M924-L928 HydrophobicContact SD-CD1 4.08Å; M924-L928 HydrophobicContact SD-CG 4.06Å; N926-L928 PolarHBondContact O-N 3.14Å; L928-A931 PolarHBondContact O-N 2.98Å; L928-V932 WeakPolarHBondContact O-CB 3.41Å; L928-V932 VanDerWaalsContact O-CG2 3.26Å; L928-V932 WeakPolarHBondContact O-CG2 3.43Å; L928-V932 PolarHBondContact O-N 2.77Å; L928-F1063 HydrophobicContact CD1-CE2 4.12Å; L928-L1064 HydrophobicContact CD1-CD2 4.01Å
929	G	92.5	Very high	91.5	Very high	19 Å²	19	34.9 Å²	34.9	20%	0.196	18%	0.182	C	C	.	.	H	α-helix	trans	-64.2	-43.2	179.7	0	0	0	0	0	112.8	K925 N926 F933 W1049 I1053	K925-G929 WeakPolarHBondContact O-CA 3.41Å; K925-G929 PolarHBondContact O-N 2.87Å; N926-G929 PolarHBondContact O-N 3.42Å; G929-F933 PolarHBondContact O-N 3.36Å; G929-W1049 PolarHBondContact O-NE1 2.97Å; G929-I1053 VanDerWaalsContact C-CD1 3.44Å
930	H	94.8	Very high	91.8	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.023	19%	0.192	C	C	.	.	H	α-helix	trans	-69.7	-43.9	173.8	-76.4	-69.2	0	0	0	111.1	T856 N926 V932 F933 Q934 N984 E1046	T856-H930 HydrophobicContact CG2-CB 3.69Å; N926-H930 WeakPolarHBondContact O-CB 3.22Å; N926-H930 PolarHBondContact O-CD2 2.86Å; N926-H930 PolarHBondContact O-N 2.66Å; H930-V932 VanDerWaalsContact C-N 3.35Å; H930-V932 PolarHBondContact O-N 2.86Å; H930-F933 PolarHBondContact O-N 3.14Å; H930-Q934 WeakPolarHBondContact O-CG 3.21Å; H930-Q934 PolarHBondContact O-N 3.3Å; H930-N984 PolarHBondContact CE1-ND2 3.12Å; H930-E1046 IonicContact CE1-OE1 3.44Å; H930-E1046 IonicContact CG-OE1 2.7Å; H930-E1046 IonicContact ND1-OE1 3.54Å; H930-E1046 PolarHBondContact ND1-OE1 3.12Å
931	A	95.1	Very high	92.1	Very high	3 Å²	3	35.1 Å²	35.1	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-58.8	-44.1	178.6	0	0	0	0	0	112.6	V859 V860 I927 L928 F933 Q934 L935	V859-A931 HydrophobicContact CG1-CB 4.04Å; V860-A931 VanDerWaalsContact CG2-CA 3.48Å; V860-A931 HydrophobicContact CG2-CB 3.68Å; I927-A931 WeakPolarHBondContact O-CB 3.36Å; I927-A931 PolarHBondContact O-N 3.44Å; L928-A931 PolarHBondContact O-N 2.98Å; A931-F933 PolarHBondContact O-N 3.16Å; A931-Q934 PolarHBondContact O-N 2.51Å; A931-L935 WeakPolarHBondContact O-CB 3.34Å; A931-L935 WeakPolarHBondContact O-CG 3.2Å; A931-L935 PolarHBondContact O-N 3.34Å
932	V	94.9	Very high	92.3	Very high	79 Å²	79	29.8 Å²	29.8	48%	0.479	16%	0.163	S	C	.	.	H	α-helix	trans	-61.1	-44.5	177.5	168.3	0	0	0	0	111.6	L928 H930 L935 I936	L928-V932 WeakPolarHBondContact O-CB 3.41Å; L928-V932 VanDerWaalsContact O-CG2 3.26Å; L928-V932 WeakPolarHBondContact O-CG2 3.43Å; L928-V932 PolarHBondContact O-N 2.77Å; H930-V932 VanDerWaalsContact C-N 3.35Å; H930-V932 PolarHBondContact O-N 2.86Å; V932-L935 PolarHBondContact O-N 2.9Å; V932-I936 HydrophobicContact CG1-CD1 3.79Å; V932-I936 WeakPolarHBondContact O-CD1 3.07Å; V932-I936 VanDerWaalsContact O-CG1 3.25Å; V932-I936 WeakPolarHBondContact O-CG1 3.21Å; V932-I936 PolarHBondContact O-N 3.44Å
933	F	95.3	Very high	92.4	Very high	30 Å²	30	31.1 Å²	31.1	13%	0.132	17%	0.165	C	C	.	.	H	α-helix	trans	-63.1	-49.3	178.4	175.6	-90.5	0	0	0	111.7	G929 H930 A931 L935 I936 I937 M977 E1046 W1049	G929-F933 PolarHBondContact O-N 3.36Å; H930-F933 PolarHBondContact O-N 3.14Å; A931-F933 PolarHBondContact O-N 3.16Å; F933-L935 VanDerWaalsContact C-N 3.31Å; F933-L935 PolarHBondContact O-N 3.28Å; F933-I936 PolarHBondContact O-N 3.47Å; F933-I937 HydrophobicContact CD1-CG1 4.3Å; F933-I937 HydrophobicContact CE1-CG1 3.96Å; F933-I937 HydrophobicContact CE2-CG1 4.29Å; F933-I937 HydrophobicContact CZ-CD1 4.36Å; F933-I937 HydrophobicContact CZ-CG1 3.95Å; F933-I937 WeakPolarHBondContact O-CG1 3.5Å; F933-I937 PolarHBondContact O-N 3.33Å; F933-M977 HydrophobicContact CE1-SD 4.24Å; F933-E1046 WeakPolarHBondContact CD1-OE2 3.49Å; F933-E1046 WeakPolarHBondContact CE1-OE2 3.4Å; F933-W1049 VanDerWaalsContact CB-CD1 3.46Å; F933-W1049 HydrophobicContact CB-CD2 4.37Å; F933-W1049 HydrophobicContact CB-CG 4.04Å; F933-W1049 HydrophobicContact CD2-CB 4.04Å; F933-W1049 AromaticContact CD2-CD1 3.92Å; F933-W1049 AromaticContact CD2-CD2 3.59Å; F933-W1049 HydrophobicContact CD2-CD2 3.59Å; F933-W1049 AromaticContact CD2-CE2 3.98Å; F933-W1049 AromaticContact CD2-CE3 3.99Å; F933-W1049 HydrophobicContact CD2-CE3 3.99Å; F933-W1049 AromaticContact CD2-CG 3.59Å; F933-W1049 HydrophobicContact CD2-CG 3.59Å; F933-W1049 HydrophobicContact CE2-CB 4.17Å; F933-W1049 HydrophobicContact CE2-CD2 4.23Å; F933-W1049 HydrophobicContact CE2-CE3 4.29Å; F933-W1049 HydrophobicContact CE2-CG 4.17Å; F933-W1049 HydrophobicContact CG-CB 4.27Å; F933-W1049 AromaticContact CG-CD1 3.74Å; F933-W1049 HydrophobicContact CG-CD2 4.22Å; F933-W1049 AromaticContact CG-CG 3.83Å; F933-W1049 HydrophobicContact CG-CG 3.83Å
934	Q	95.4	Very high	92.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-40.7	179.6	-66.3	-178.1	10.4	0	0	111.4	V860 H930 A931 I937 I938 M977 E1046	V860-Q934 HydrophobicContact CG1-CB 4.01Å; V860-Q934 HydrophobicContact CG2-CB 4.02Å; H930-Q934 WeakPolarHBondContact O-CG 3.21Å; H930-Q934 PolarHBondContact O-N 3.3Å; A931-Q934 PolarHBondContact O-N 2.51Å; Q934-I937 PolarHBondContact O-N 3.46Å; Q934-I938 WeakPolarHBondContact O-CB 3.2Å; Q934-I938 WeakPolarHBondContact O-CD1 3.25Å; Q934-I938 WeakPolarHBondContact O-CG1 3.38Å; Q934-I938 PolarHBondContact O-N 3.34Å; Q934-M977 HydrophobicContact CB-CE 4.12Å; Q934-M977 HydrophobicContact CB-SD 4.4Å; Q934-M977 HydrophobicContact CG-CB 4.42Å; Q934-M977 HydrophobicContact CG-CE 4.16Å; Q934-M977 HydrophobicContact CG-SD 4.05Å; Q934-E1046 PolarHBondContact NE2-OE1 2.88Å
935	L	95.2	Very high	92.2	Very high	25 Å²	25	30.3 Å²	30.3	13%	0.131	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-43.3	176.1	-72.3	171.1	0	0	0	112.6	V860 I863 V864 A931 V932 F933 I937 I938 F939	V860-L935 HydrophobicContact CG1-CD2 4.16Å; V860-L935 HydrophobicContact CG1-CG 4.47Å; V860-L935 HydrophobicContact CG2-CG 4.49Å; I863-L935 HydrophobicContact CB-CD1 4.47Å; I863-L935 HydrophobicContact CB-CD2 3.91Å; I863-L935 HydrophobicContact CD1-CD1 3.9Å; I863-L935 HydrophobicContact CG2-CD1 4.04Å; I863-L935 HydrophobicContact CG2-CD2 3.55Å; I863-L935 HydrophobicContact CG2-CG 4.46Å; V864-L935 HydrophobicContact CG2-CD2 3.79Å; A931-L935 WeakPolarHBondContact O-CB 3.34Å; A931-L935 WeakPolarHBondContact O-CG 3.2Å; A931-L935 PolarHBondContact O-N 3.34Å; V932-L935 PolarHBondContact O-N 2.9Å; F933-L935 VanDerWaalsContact C-N 3.31Å; F933-L935 PolarHBondContact O-N 3.28Å; L935-I937 VanDerWaalsContact C-N 3.35Å; L935-I937 PolarHBondContact O-N 2.96Å; L935-I938 PolarHBondContact O-N 2.95Å; L935-F939 HydrophobicContact CB-CD2 4.37Å; L935-F939 HydrophobicContact CB-CE2 4.24Å; L935-F939 HydrophobicContact CD2-CE2 3.97Å; L935-F939 HydrophobicContact CD2-CZ 4.11Å; L935-F939 WeakPolarHBondContact O-CB 3.26Å; L935-F939 WeakPolarHBondContact O-CD2 3.41Å; L935-F939 WeakPolarHBondContact O-CG 3.34Å; L935-F939 PolarHBondContact O-N 3.19Å
936	I	95	Very high	92	Very high	99 Å²	99	31 Å²	31	51%	0.508	17%	0.17	S	C	.	.	H	α-helix	trans	-60.1	-47.5	177	-70.6	165.3	0	0	0	110.1	V932 F933 T940	V932-I936 HydrophobicContact CG1-CD1 3.79Å; V932-I936 WeakPolarHBondContact O-CD1 3.07Å; V932-I936 VanDerWaalsContact O-CG1 3.25Å; V932-I936 WeakPolarHBondContact O-CG1 3.21Å; V932-I936 PolarHBondContact O-N 3.44Å; F933-I936 PolarHBondContact O-N 3.47Å; I936-T940 VanDerWaalsContact O-CB 3.26Å; I936-T940 WeakPolarHBondContact O-CB 3.28Å; I936-T940 PolarHBondContact O-N 2.85Å; I936-T940 PolarHBondContact O-OG1 3.39Å
937	I	94.9	Very high	91.7	Very high	39 Å²	39	38.2 Å²	38.2	20%	0.2	20%	0.201	C	C	.	.	H	α-helix	trans	-64.7	-49.2	179.9	-66.3	-61.4	0	0	0	111	F933 Q934 L935 F939 T940 L941 V973 M977 V1042	F933-I937 HydrophobicContact CD1-CG1 4.3Å; F933-I937 HydrophobicContact CE1-CG1 3.96Å; F933-I937 HydrophobicContact CE2-CG1 4.29Å; F933-I937 HydrophobicContact CZ-CD1 4.36Å; F933-I937 HydrophobicContact CZ-CG1 3.95Å; F933-I937 WeakPolarHBondContact O-CG1 3.5Å; F933-I937 PolarHBondContact O-N 3.33Å; Q934-I937 PolarHBondContact O-N 3.46Å; L935-I937 VanDerWaalsContact C-N 3.35Å; L935-I937 PolarHBondContact O-N 2.96Å; I937-F939 PolarHBondContact O-N 2.93Å; I937-T940 PolarHBondContact O-N 3.43Å; I937-L941 HydrophobicContact CG2-CD1 3.95Å; I937-L941 HydrophobicContact CG2-CG 4.49Å; I937-L941 WeakPolarHBondContact O-CB 3.28Å; I937-L941 WeakPolarHBondContact O-CG 3.36Å; I937-L941 PolarHBondContact O-N 3.45Å; I937-V973 HydrophobicContact CG2-CG1 3.95Å; I937-M977 HydrophobicContact CB-SD 4.16Å; I937-M977 HydrophobicContact CG2-CE 4.31Å; I937-M977 HydrophobicContact CG2-SD 3.93Å; I937-V1042 HydrophobicContact CD1-CG1 4.47Å; I937-V1042 HydrophobicContact CG2-CG1 3.51Å
938	I	92.8	Very high	91.4	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-45.2	-178.6	-68	164.8	0	0	0	110.8	V860 V864 Q934 L935 L941 L942 V970 F974 M977	V860-I938 HydrophobicContact CG1-CD1 3.66Å; V864-I938 HydrophobicContact CG1-CG2 3.97Å; V864-I938 HydrophobicContact CG2-CB 4.31Å; V864-I938 HydrophobicContact CG2-CD1 3.84Å; V864-I938 HydrophobicContact CG2-CG2 3.74Å; Q934-I938 WeakPolarHBondContact O-CB 3.2Å; Q934-I938 WeakPolarHBondContact O-CD1 3.25Å; Q934-I938 WeakPolarHBondContact O-CG1 3.38Å; Q934-I938 PolarHBondContact O-N 3.34Å; L935-I938 PolarHBondContact O-N 2.95Å; I938-L941 PolarHBondContact O-N 3.12Å; I938-L942 WeakPolarHBondContact O-CB 3.34Å; I938-L942 PolarHBondContact O-N 3.18Å; I938-V970 HydrophobicContact CG2-CG1 4.15Å; I938-F974 HydrophobicContact CD1-CD2 3.45Å; I938-F974 VanDerWaalsContact CD1-CD2 3.45Å; I938-F974 HydrophobicContact CD1-CE2 3.98Å; I938-F974 HydrophobicContact CD1-CG 4.33Å; I938-F974 HydrophobicContact CG1-CD2 4.47Å; I938-M977 HydrophobicContact CD1-CE 4.02Å; I938-M977 HydrophobicContact CG1-CE 3.8Å
939	F	92.5	Very high	91.1	Very high	44 Å²	44	44.4 Å²	44.4	19%	0.193	23%	0.225	C	C	.	.	H	α-helix	trans	-69.5	-34.5	178.6	-67.9	-38.2	0	0	0	112.6	I863 T867 L935 I937 L942 F943	I863-F939 HydrophobicContact CG2-CE2 4.49Å; I863-F939 HydrophobicContact CG2-CZ 4.15Å; T867-F939 HydrophobicContact CG2-CE1 3.74Å; T867-F939 HydrophobicContact CG2-CE2 4.46Å; T867-F939 HydrophobicContact CG2-CZ 3.63Å; L935-F939 HydrophobicContact CB-CD2 4.37Å; L935-F939 HydrophobicContact CB-CE2 4.24Å; L935-F939 HydrophobicContact CD2-CE2 3.97Å; L935-F939 HydrophobicContact CD2-CZ 4.11Å; L935-F939 WeakPolarHBondContact O-CB 3.26Å; L935-F939 WeakPolarHBondContact O-CD2 3.41Å; L935-F939 WeakPolarHBondContact O-CG 3.34Å; L935-F939 PolarHBondContact O-N 3.19Å; I937-F939 PolarHBondContact O-N 2.93Å; F939-L942 HydrophobicContact CD1-CD2 4.25Å; F939-L942 PolarHBondContact O-N 3.29Å; F939-F943 HydrophobicContact CB-CD2 4.28Å; F939-F943 HydrophobicContact CB-CE2 4.36Å; F939-F943 HydrophobicContact CD1-CE2 4.28Å; F939-F943 WeakPolarHBondContact O-CD2 3.01Å; F939-F943 PolarHBondContact O-N 3.22Å
940	T	92.4	Very high	90.6	Very high	65 Å²	65	50.9 Å²	50.9	40%	0.399	26%	0.256	S	S	.	.	H	α-helix	trans	-61.9	-46.7	173.1	-58.8	0	0	0	0	110.5	I936 I937 A944 G945 F948	I936-T940 VanDerWaalsContact O-CB 3.26Å; I936-T940 WeakPolarHBondContact O-CB 3.28Å; I936-T940 PolarHBondContact O-N 2.85Å; I936-T940 PolarHBondContact O-OG1 3.39Å; I937-T940 PolarHBondContact O-N 3.43Å; T940-A944 WeakPolarHBondContact O-CA 3.42Å; T940-A944 WeakPolarHBondContact O-CB 3.38Å; T940-A944 PolarHBondContact O-N 3.24Å; T940-G945 PolarHBondContact O-N 3.31Å; T940-F948 HydrophobicContact CG2-CE2 4.42Å
941	L	90.9	Very high	90.2	Very high	17 Å²	17	51.9 Å²	51.9	9%	0.089	26%	0.261	C	S	.	.	H	α-helix	trans	-65.4	-40.7	175.8	-68.4	174.7	0	0	0	111.5	I937 I938 F943 G945 F949 H966 V970 V973	I937-L941 HydrophobicContact CG2-CD1 3.95Å; I937-L941 HydrophobicContact CG2-CG 4.49Å; I937-L941 WeakPolarHBondContact O-CB 3.28Å; I937-L941 WeakPolarHBondContact O-CG 3.36Å; I937-L941 PolarHBondContact O-N 3.45Å; I938-L941 PolarHBondContact O-N 3.12Å; L941-F943 PolarHBondContact O-N 3.27Å; L941-G945 WeakPolarHBondContact O-CA 3.41Å; L941-G945 PolarHBondContact O-N 2.76Å; L941-F949 HydrophobicContact CD2-CE2 3.8Å; L941-H966 PolarHBondContact O-NE2 3.47Å; L941-V970 HydrophobicContact CB-CG2 4.07Å; L941-V973 HydrophobicContact CD1-CB 3.85Å; L941-V973 HydrophobicContact CD1-CG1 3.67Å; L941-V973 HydrophobicContact CD1-CG2 3.76Å
942	L	87.9	Confident	89.6	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.3	-39.3	-179.3	-175.5	64.2	0	0	0	113.2	P876 I938 F939 R955 H966 Y967	P876-L942 HydrophobicContact CB-CD1 3.63Å; P876-L942 HydrophobicContact CB-CD2 4.49Å; P876-L942 HydrophobicContact CG-CD1 4.38Å; P876-L942 HydrophobicContact CG-CD2 4.38Å; I938-L942 WeakPolarHBondContact O-CB 3.34Å; I938-L942 PolarHBondContact O-N 3.18Å; F939-L942 HydrophobicContact CD1-CD2 4.25Å; F939-L942 PolarHBondContact O-N 3.29Å; L942-R955 WeakPolarHBondContact O-CD 3.05Å; L942-H966 PolarHBondContact O-CE1 3.02Å; L942-H966 VanDerWaalsContact O-CE1 3.28Å; L942-Y967 HydrophobicContact CD1-CD1 4.32Å; L942-Y967 HydrophobicContact CD1-CE1 3.69Å
943	F	87.9	Confident	88.9	Confident	71 Å²	71	57.2 Å²	57.2	31%	0.311	29%	0.29	S	S	.	.	H	α-helix	trans	-99.1	-27.9	-174.9	-68.4	-60.2	0	0	0	114.5	I871 F939 L941	I871-F943 HydrophobicContact CB-CZ 4.33Å; I871-F943 HydrophobicContact CD1-CE2 4.37Å; I871-F943 HydrophobicContact CD1-CZ 3.65Å; I871-F943 HydrophobicContact CG2-CE1 3.69Å; I871-F943 HydrophobicContact CG2-CZ 3.84Å; F939-F943 HydrophobicContact CB-CD2 4.28Å; F939-F943 HydrophobicContact CB-CE2 4.36Å; F939-F943 HydrophobicContact CD1-CE2 4.28Å; F939-F943 WeakPolarHBondContact O-CD2 3.01Å; F939-F943 PolarHBondContact O-N 3.22Å; L941-F943 PolarHBondContact O-N 3.27Å
944	A	88.4	Confident	87.9	Confident	30 Å²	30	55.8 Å²	55.8	25%	0.248	28%	0.284	C	S	.	.	H	α-helix	trans	-121.7	-5.2	-176.5	0	0	0	0	0	113.7	T940 E946 K947 F948	T940-A944 WeakPolarHBondContact O-CA 3.42Å; T940-A944 WeakPolarHBondContact O-CB 3.38Å; T940-A944 PolarHBondContact O-N 3.24Å; A944-E946 VanDerWaalsContact C-N 3.31Å; A944-E946 PolarHBondContact O-N 3.12Å; A944-K947 PolarHBondContact O-N 2.85Å; A944-F948 HydrophobicContact CB-CD2 3.97Å; A944-F948 HydrophobicContact CB-CE2 4Å; A944-F948 WeakPolarHBondContact O-CD2 3.42Å; A944-F948 PolarHBondContact O-N 3.46Å; A944-F948 VanDerWaalsContact O-N 3.13Å
945	G	85.5	Confident	87.1	Confident	2 Å²	2	59 Å²	59	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-58.4	-39.4	-177.1	0	0	0	0	0	113.5	T940 L941 K947 F948 F949	T940-G945 PolarHBondContact O-N 3.31Å; L941-G945 WeakPolarHBondContact O-CA 3.41Å; L941-G945 PolarHBondContact O-N 2.76Å; G945-K947 PolarHBondContact O-N 3.03Å; G945-F948 PolarHBondContact O-N 3.14Å; G945-F948 VanDerWaalsContact O-N 3.11Å; G945-F949 PolarHBondContact O-N 3.48Å
946	E	84.6	Confident	85.8	Confident	34 Å²	34	63.3 Å²	63.3	16%	0.159	32%	0.319	C	S	.	.	H	α-helix	trans	-51.9	-40.1	174.2	71.2	-165.2	-158.6	0	0	112.6	A944 D950 I951 S953 R955 H966	A944-E946 VanDerWaalsContact C-N 3.31Å; A944-E946 PolarHBondContact O-N 3.12Å; E946-D950 WeakPolarHBondContact O-CA 3.28Å; E946-D950 PolarHBondContact O-N 3.35Å; E946-I951 PolarHBondContact O-N 3.4Å; E946-I951 VanDerWaalsContact O-N 3.13Å; E946-S953 WeakPolarHBondContact OE2-CB 3.33Å; E946-S953 PolarHBondContact OE2-OG 3.09Å; E946-R955 IonicContact OE1-NH2 2.68Å; E946-R955 PolarHBondContact OE1-NH2 3.22Å; E946-R955 IonicContact OE2-CZ 3.93Å; E946-R955 IonicContact OE2-NE 2.86Å; E946-R955 PolarHBondContact OE2-NE 3.04Å; E946-R955 IonicContact OE2-NH2 3.81Å; E946-R955 PolarHBondContact OE2-NH2 2.85Å; E946-H966 PolarHBondContact N-NE2 2.93Å
947	K	86.3	Confident	84.5	Confident	169 Å²	169	61.1 Å²	61.1	74%	0.735	31%	0.31	S	S	*	.	H	α-helix	trans	-82.5	-30.6	-180	-61.8	-176.5	-177.9	177.1	0	112.8	A944 G945	A944-K947 PolarHBondContact O-N 2.85Å; G945-K947 PolarHBondContact O-N 3.03Å
948	F	85.8	Confident	82.8	Confident	152 Å²	152	62.3 Å²	62.3	67%	0.667	32%	0.321	S	S	*	.	H	α-helix	trans	-73.3	-36.3	-179.8	-90.9	-73.2	0	0	0	112.5	T940 A944 G945	T940-F948 HydrophobicContact CG2-CE2 4.42Å; A944-F948 HydrophobicContact CB-CD2 3.97Å; A944-F948 HydrophobicContact CB-CE2 4Å; A944-F948 WeakPolarHBondContact O-CD2 3.42Å; A944-F948 PolarHBondContact O-N 3.46Å; A944-F948 VanDerWaalsContact O-N 3.13Å; G945-F948 PolarHBondContact O-N 3.14Å; G945-F948 VanDerWaalsContact O-N 3.11Å
949	F	84.4	Confident	80.9	Confident	47 Å²	47	64.2 Å²	64.2	21%	0.206	33%	0.33	C	S	.	.	H	α-helix	trans	-104.3	0.5	-177	-69.1	-79.3	0	0	0	113.8	L941 G945 I951 I969 W1038	L941-F949 HydrophobicContact CD2-CE2 3.8Å; G945-F949 PolarHBondContact O-N 3.48Å; F949-I951 HydrophobicContact CB-CD1 3.78Å; F949-I951 HydrophobicContact CB-CG1 3.88Å; F949-I951 HydrophobicContact CB-CG2 4.41Å; F949-I951 PolarHBondContact O-N 3.39Å; F949-I969 HydrophobicContact CB-CD1 4.37Å; F949-I969 HydrophobicContact CD1-CD1 4.37Å; F949-I969 HydrophobicContact CD2-CD1 4.18Å; F949-I969 HydrophobicContact CE2-CG2 4.22Å; F949-I969 HydrophobicContact CG-CD1 4.05Å; F949-W1038 HydrophobicContact CE1-CB 3.76Å; F949-W1038 AromaticContact CE1-CD1 3.93Å; F949-W1038 AromaticContact CE1-CG 3.83Å; F949-W1038 HydrophobicContact CE1-CG 3.83Å; F949-W1038 HydrophobicContact CZ-CB 4.02Å; F949-W1038 HydrophobicContact CZ-CG 4.34Å
950	D	83.4	Confident	79.1	Confident	156 Å²	156	65.5 Å²	65.5	83%	0.834	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	51.6	-177.4	-160.5	34.5	0	0	0	112.3	E946	E946-D950 WeakPolarHBondContact O-CA 3.28Å; E946-D950 PolarHBondContact O-N 3.35Å
951	I	85.5	Confident	77.7	Confident	25 Å²	25	64.4 Å²	64.4	13%	0.128	33%	0.332	C	S	.	.			trans	-127.7	155.6	-176.2	53.1	179.6	0	0	0	111.1	E946 F949 H966 I969	E946-I951 PolarHBondContact O-N 3.4Å; E946-I951 VanDerWaalsContact O-N 3.13Å; F949-I951 HydrophobicContact CB-CD1 3.78Å; F949-I951 HydrophobicContact CB-CG1 3.88Å; F949-I951 HydrophobicContact CB-CG2 4.41Å; F949-I951 PolarHBondContact O-N 3.39Å; I951-H966 HydrophobicContact CD1-CB 4.07Å; I951-I969 HydrophobicContact CD1-CD1 3.56Å
952	D	82.5	Confident	76.6	Confident	146 Å²	146	68.1 Å²	68.1	78%	0.781	36%	0.357	S	S	*	.			trans	-62.1	139.4	179.9	-69.8	-35.3	0	0	0	112.7	G954	D952-G954 PolarHBondContact O-N 3.42Å
953	S	80.7	Confident	76	Confident	48 Å²	48	70 Å²	70	34%	0.336	37%	0.37	S	S	.	.			trans	-68.8	117.6	-179.8	-165.8	0	0	0	0	111.4	E946 R955	E946-S953 WeakPolarHBondContact OE2-CB 3.33Å; E946-S953 PolarHBondContact OE2-OG 3.09Å; S953-R955 PolarHBondContact O-N 3.45Å; S953-R955 PolarHBondContact OG-N 3.27Å
954	G	74.4	Confident	75.8	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.363	C	S	.	.			trans	-71.4	-0.4	167.8	0	0	0	0	0	115.2	D952 S964 H966 Y967	D952-G954 PolarHBondContact O-N 3.42Å; G954-S964 WeakPolarHBondContact CA-OG 3.31Å; G954-H966 PolarHBondContact N-ND1 3.1Å; G954-Y967 WeakPolarHBondContact O-CE2 3.41Å; G954-Y967 PolarHBondContact O-OH 2.89Å
955	R	78	Confident	75.7	Confident	69 Å²	69	70.2 Å²	70.2	26%	0.26	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	144.9	-175.8	-64.9	-176.8	-68.2	151.5	-2.1	111.8	T872 L942 E946 S953 T957 Y967	T872-R955 HydrophobicContact CG2-CG 4.26Å; L942-R955 WeakPolarHBondContact O-CD 3.05Å; E946-R955 IonicContact OE1-NH2 2.68Å; E946-R955 PolarHBondContact OE1-NH2 3.22Å; E946-R955 IonicContact OE2-CZ 3.93Å; E946-R955 IonicContact OE2-NE 2.86Å; E946-R955 PolarHBondContact OE2-NE 3.04Å; E946-R955 IonicContact OE2-NH2 3.81Å; E946-R955 PolarHBondContact OE2-NH2 2.85Å; S953-R955 PolarHBondContact O-N 3.45Å; S953-R955 PolarHBondContact OG-N 3.27Å; R955-T957 PolarHBondContact O-N 3.33Å; R955-Y967 WeakPolarHBondContact CA-OH 3.38Å; R955-Y967 HydrophobicContact CG-CE1 4.39Å
956	N	67.7	Low	75.8	Confident	115 Å²	115	70.3 Å²	70.3	62%	0.615	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	27.9	177	-52.8	-34.8	0	0	0	114.5
957	T	66.9	Low	76	Confident	52 Å²	52	69.7 Å²	69.7	32%	0.319	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-70.3	146.6	179.3	54.1	0	0	0	0	111.7	R955 S961	R955-T957 PolarHBondContact O-N 3.33Å; T957-S961 VanDerWaalsContact CB-OG 3.31Å; T957-S961 WeakPolarHBondContact CB-OG 3.47Å; T957-S961 PolarHBondContact OG1-OG 2.89Å; T957-S961 VanDerWaalsContact OG1-OG 3.06Å
958	P	60.6	Low	76.2	Confident	65 Å²	65	61.6 Å²	61.6	42%	0.422	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-60.9	159.9	178.7	-22.1	32.7	0	0	0	113.4	H960 S961	P958-H960 PolarHBondContact O-N 3.06Å; P958-S961 WeakPolarHBondContact O-CB 3.35Å; P958-S961 PolarHBondContact O-N 2.74Å; P958-S961 VanDerWaalsContact O-N 3.17Å; P958-S961 PolarHBondContact O-OG 3.31Å
959	L	52.6	Low	76.5	Confident	41 Å²	41	54.5 Å²	54.5	22%	0.215	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	123.3	172.9	-167.3	66.6	0	0	0	109.2	Q409 K413	Q409-L959 HydrophobicContact CG-CD2 4.17Å; K413-L959 HydrophobicContact CD-CD1 3.83Å
960	H	55.2	Low	76.9	Confident	71 Å²	71	52.4 Å²	52.4	33%	0.329	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	14.2	-175.5	-48.4	-64.3	0	0	0	118	Q409 P958	Q409-H960 PolarHBondContact NE2-NE2 3.32Å; P958-H960 PolarHBondContact O-N 3.06Å
961	S	63.1	Low	77.3	Confident	43 Å²	43	45 Å²	45	30%	0.301	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-58.6	148	172	65.3	0	0	0	0	113.3	T957 P958	T957-S961 VanDerWaalsContact CB-OG 3.31Å; T957-S961 WeakPolarHBondContact CB-OG 3.47Å; T957-S961 PolarHBondContact OG1-OG 2.89Å; T957-S961 VanDerWaalsContact OG1-OG 3.06Å; P958-S961 WeakPolarHBondContact O-CB 3.35Å; P958-S961 PolarHBondContact O-N 2.74Å; P958-S961 VanDerWaalsContact O-N 3.17Å; P958-S961 PolarHBondContact O-OG 3.31Å
962	P	66.4	Low	77.7	Confident	94 Å²	94	43.8 Å²	43.8	61%	0.61	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-59.4	155.4	173.7	25.7	-34	0	0	0	112.1	S964	P962-S964 PolarHBondContact O-N 3.36Å
963	P	76.4	Confident	78.3	Confident	41 Å²	41	37 Å²	37	27%	0.266	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-60.2	130.5	178.8	24.6	-32.8	0	0	0	110.8
964	S	83.2	Confident	78.9	Confident	25 Å²	25	34.7 Å²	34.7	18%	0.175	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-88.3	139.4	-178.9	174.2	0	0	0	0	111.4	G954 P962 H966 T968	G954-S964 WeakPolarHBondContact CA-OG 3.31Å; P962-S964 PolarHBondContact O-N 3.36Å; S964-H966 PolarHBondContact O-N 3.18Å; S964-H966 WeakPolarHBondContact OG-CB 3.32Å; S964-H966 PolarHBondContact OG-N 3.41Å; S964-T968 PolarHBondContact O-N 2.92Å; S964-T968 VanDerWaalsContact O-N 3.17Å; S964-T968 PolarHBondContact O-OG1 3.39Å
965	E	85.9	Confident	79.9	Confident	80 Å²	80	34.9 Å²	34.9	37%	0.374	19%	0.193	S	C	.	.	H	α-helix	trans	-58.5	-38.1	170.3	-67.7	-173.7	-163.5	0	0	111.5	Y967 T968 I969 A1029 Q1035	E965-Y967 PolarHBondContact O-N 3.17Å; E965-T968 WeakPolarHBondContact O-CB 3.25Å; E965-T968 PolarHBondContact O-N 3.34Å; E965-T968 VanDerWaalsContact O-N 3.12Å; E965-I969 WeakPolarHBondContact O-CG1 3.44Å; E965-I969 PolarHBondContact O-N 3.41Å; E965-A1029 HydrophobicContact CG-CB 3.86Å; E965-Q1035 PolarHBondContact OE2-NE2 3.35Å
966	H	88.7	Confident	80.7	Confident	3 Å²	3	31.6 Å²	31.6	1%	0.014	18%	0.181	C	C	.	.	H	α-helix	trans	-58.3	-51.5	-178.8	-179.5	-144.7	0	0	0	112.6	L941 L942 E946 I951 G954 S964 T968 I969 V970	L941-H966 PolarHBondContact O-NE2 3.47Å; L942-H966 PolarHBondContact O-CE1 3.02Å; L942-H966 VanDerWaalsContact O-CE1 3.28Å; E946-H966 PolarHBondContact N-NE2 2.93Å; I951-H966 HydrophobicContact CD1-CB 4.07Å; G954-H966 PolarHBondContact N-ND1 3.1Å; S964-H966 PolarHBondContact O-N 3.18Å; S964-H966 WeakPolarHBondContact OG-CB 3.32Å; S964-H966 PolarHBondContact OG-N 3.41Å; H966-T968 VanDerWaalsContact C-N 3.29Å; H966-T968 PolarHBondContact O-N 3.42Å; H966-I969 PolarHBondContact O-N 3.46Å; H966-V970 PolarHBondContact O-N 2.77Å
967	Y	87.6	Confident	82	Confident	21 Å²	21	26.1 Å²	26.1	8%	0.082	15%	0.151	C	C	.	.	H	α-helix	trans	-71.3	-25.8	176.7	-71.1	-17.2	0	0	0	112.9	P876 L942 G954 R955 E965 V970 F971	P876-Y967 HydrophobicContact CB-CE1 4.47Å; L942-Y967 HydrophobicContact CD1-CD1 4.32Å; L942-Y967 HydrophobicContact CD1-CE1 3.69Å; G954-Y967 WeakPolarHBondContact O-CE2 3.41Å; G954-Y967 PolarHBondContact O-OH 2.89Å; R955-Y967 WeakPolarHBondContact CA-OH 3.38Å; R955-Y967 HydrophobicContact CG-CE1 4.39Å; E965-Y967 PolarHBondContact O-N 3.17Å; Y967-V970 PolarHBondContact O-N 3.39Å; Y967-F971 WeakPolarHBondContact O-CB 3.23Å; Y967-F971 PolarHBondContact O-N 3.2Å
968	T	91.3	Very high	83.3	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-67.2	-38.2	173.1	-51.1	0	0	0	0	111.5	S964 E965 H966 F971 N972 V1019 C1028 A1029 L1031	S964-T968 PolarHBondContact O-N 2.92Å; S964-T968 VanDerWaalsContact O-N 3.17Å; S964-T968 PolarHBondContact O-OG1 3.39Å; E965-T968 WeakPolarHBondContact O-CB 3.25Å; E965-T968 PolarHBondContact O-N 3.34Å; E965-T968 VanDerWaalsContact O-N 3.12Å; H966-T968 VanDerWaalsContact C-N 3.29Å; H966-T968 PolarHBondContact O-N 3.42Å; T968-F971 PolarHBondContact O-N 2.84Å; T968-N972 VanDerWaalsContact O-CB 3.23Å; T968-N972 WeakPolarHBondContact O-CB 3.38Å; T968-N972 PolarHBondContact O-N 3.34Å; T968-V1019 HydrophobicContact CG2-CG1 3.98Å; T968-C1028 HydrophobicContact CG2-CB 4Å; T968-A1029 WeakPolarHBondContact CG2-O 3.49Å; T968-A1029 PolarHBondContact OG1-N 2.95Å; T968-L1031 HydrophobicContact CG2-CD1 4.19Å; T968-L1031 HydrophobicContact CG2-CD2 4.22Å; T968-L1031 HydrophobicContact CG2-CG 4.05Å
969	I	92.3	Very high	84.9	Confident	3 Å²	3	21.2 Å²	21.2	2%	0.015	12%	0.119	C	C	.	.	H	α-helix	trans	-63.7	-45.3	172.4	-66.6	173.7	0	0	0	110.7	F949 I951 E965 H966 F971 N972 V973 L1031 Q1035	F949-I969 HydrophobicContact CB-CD1 4.37Å; F949-I969 HydrophobicContact CD1-CD1 4.37Å; F949-I969 HydrophobicContact CD2-CD1 4.18Å; F949-I969 HydrophobicContact CE2-CG2 4.22Å; F949-I969 HydrophobicContact CG-CD1 4.05Å; I951-I969 HydrophobicContact CD1-CD1 3.56Å; E965-I969 WeakPolarHBondContact O-CG1 3.44Å; E965-I969 PolarHBondContact O-N 3.41Å; H966-I969 PolarHBondContact O-N 3.46Å; I969-F971 PolarHBondContact O-N 3.42Å; I969-N972 PolarHBondContact O-N 3.43Å; I969-V973 HydrophobicContact CG2-CG2 4.19Å; I969-V973 WeakPolarHBondContact O-CB 3.31Å; I969-V973 VanDerWaalsContact O-CG2 3.31Å; I969-V973 WeakPolarHBondContact O-CG2 3.31Å; I969-V973 PolarHBondContact O-N 3.46Å; I969-L1031 HydrophobicContact CD1-CD2 4.45Å; I969-L1031 HydrophobicContact CG1-CD1 4.34Å; I969-L1031 HydrophobicContact CG1-CD2 3.68Å; I969-Q1035 HydrophobicContact CD1-CG 4.15Å
970	V	91.8	Very high	86.9	Confident	2 Å²	2	21.1 Å²	21.1	1%	0.012	12%	0.117	C	C	.	.	H	α-helix	trans	-58.8	-48.4	177.3	174.7	0	0	0	0	110.9	I938 L941 H966 Y967 F974	I938-V970 HydrophobicContact CG2-CG1 4.15Å; L941-V970 HydrophobicContact CB-CG2 4.07Å; H966-V970 PolarHBondContact O-N 2.77Å; Y967-V970 PolarHBondContact O-N 3.39Å; V970-F974 WeakPolarHBondContact O-CB 3.29Å; V970-F974 PolarHBondContact O-N 2.87Å
971	F	92.4	Very high	88.8	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.7	-46.8	176.4	167.9	-116.2	0	0	0	112.1	L877 Q881 W884 V885 Y967 T968 I969 F974 V975 Q1015 I1018 V1019	L877-F971 HydrophobicContact CD2-CB 4.08Å; L877-F971 HydrophobicContact CD2-CD2 4.12Å; Q881-F971 HydrophobicContact CB-CD2 3.86Å; Q881-F971 HydrophobicContact CB-CE2 3.69Å; Q881-F971 HydrophobicContact CB-CZ 4.27Å; Q881-F971 HydrophobicContact CG-CD1 4.5Å; Q881-F971 HydrophobicContact CG-CD2 4.08Å; Q881-F971 HydrophobicContact CG-CE1 4.43Å; Q881-F971 HydrophobicContact CG-CE2 4Å; Q881-F971 HydrophobicContact CG-CG 4.32Å; Q881-F971 HydrophobicContact CG-CZ 4.18Å; W884-F971 AromaticContact CD1-CZ 3.65Å; V885-F971 HydrophobicContact CG2-CE2 4.35Å; Y967-F971 WeakPolarHBondContact O-CB 3.23Å; Y967-F971 PolarHBondContact O-N 3.2Å; T968-F971 PolarHBondContact O-N 2.84Å; I969-F971 PolarHBondContact O-N 3.42Å; F971-F974 WeakPolarHBondContact O-CB 3.49Å; F971-F974 PolarHBondContact O-N 2.87Å; F971-V975 HydrophobicContact CD2-CG2 4.14Å; F971-V975 HydrophobicContact CE2-CG2 3.69Å; F971-V975 HydrophobicContact CZ-CG2 4.06Å; F971-V975 WeakPolarHBondContact O-CG2 3.25Å; F971-V975 PolarHBondContact O-N 2.93Å; F971-Q1015 VanDerWaalsContact CE1-NE2 3.28Å; F971-I1018 HydrophobicContact CE1-CG2 4.4Å; F971-V1019 HydrophobicContact CE1-CG2 4.31Å
972	N	94.3	Very high	90.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-67.8	-43.4	-177.2	-164.3	41.4	0	0	0	112.1	T968 I969 F974 V975 M976 Q1015 V1019 L1031 W1036 C1039	T968-N972 VanDerWaalsContact O-CB 3.23Å; T968-N972 WeakPolarHBondContact O-CB 3.38Å; T968-N972 PolarHBondContact O-N 3.34Å; I969-N972 PolarHBondContact O-N 3.43Å; N972-F974 VanDerWaalsContact C-N 3.3Å; N972-F974 PolarHBondContact O-N 2.86Å; N972-V975 PolarHBondContact O-N 3.2Å; N972-M976 WeakPolarHBondContact O-CB 3.13Å; N972-M976 VanDerWaalsContact O-CG 3.23Å; N972-M976 WeakPolarHBondContact O-CG 3.2Å; N972-M976 PolarHBondContact O-N 2.93Å; N972-Q1015 PolarHBondContact OD1-NE2 3.29Å; N972-V1019 HydrophobicContact CB-CG2 4.46Å; N972-L1031 HydrophobicContact CB-CD1 4.18Å; N972-W1036 WeakPolarHBondContact ND2-CZ3 3.26Å; N972-W1036 WeakPolarHBondContact OD1-CH2 3.47Å; N972-W1036 WeakPolarHBondContact OD1-CZ3 3.26Å; N972-C1039 WeakPolarHBondContact ND2-CB 3.44Å
973	V	94.9	Very high	91.5	Very high	3 Å²	3	12.2 Å²	12.2	2%	0.018	6%	0.063	C	C	.	.	H	α-helix	trans	-60.4	-41.8	173.8	170.6	0	0	0	0	110.9	I937 L941 I969 M976 M977 C1039 V1042	I937-V973 HydrophobicContact CG2-CG1 3.95Å; L941-V973 HydrophobicContact CD1-CB 3.85Å; L941-V973 HydrophobicContact CD1-CG1 3.67Å; L941-V973 HydrophobicContact CD1-CG2 3.76Å; I969-V973 HydrophobicContact CG2-CG2 4.19Å; I969-V973 WeakPolarHBondContact O-CB 3.31Å; I969-V973 VanDerWaalsContact O-CG2 3.31Å; I969-V973 WeakPolarHBondContact O-CG2 3.31Å; I969-V973 PolarHBondContact O-N 3.46Å; V973-M976 PolarHBondContact O-N 3.35Å; V973-M977 HydrophobicContact CG1-CE 3.91Å; V973-M977 HydrophobicContact CG1-CG 4.31Å; V973-M977 HydrophobicContact CG1-SD 4.16Å; V973-M977 WeakPolarHBondContact O-CB 3.5Å; V973-M977 WeakPolarHBondContact O-CG 3.37Å; V973-M977 PolarHBondContact O-N 3.27Å; V973-C1039 HydrophobicContact CG2-CB 3.93Å; V973-V1042 HydrophobicContact CG1-CB 4.44Å; V973-V1042 HydrophobicContact CG1-CG1 3.77Å
974	F	94.5	Very high	92.2	Very high	1 Å²	1	10.7 Å²	10.7	0%	0.004	5%	0.053	C	C	.	.	H	α-helix	trans	-58.7	-49.7	176.7	-179.1	-120.2	0	0	0	111.9	V857 V860 A861 L877 V885 I938 V970 F971 N972 M977 Q978	V857-F974 HydrophobicContact CG1-CZ 4.3Å; V860-F974 HydrophobicContact CB-CE2 4.34Å; V860-F974 HydrophobicContact CG1-CD2 4.42Å; V860-F974 HydrophobicContact CG1-CE2 3.68Å; A861-F974 HydrophobicContact CB-CZ 4.09Å; L877-F974 HydrophobicContact CD1-CD1 3.93Å; L877-F974 HydrophobicContact CD1-CE1 3.93Å; V885-F974 HydrophobicContact CB-CE1 4.48Å; V885-F974 HydrophobicContact CG1-CE1 3.83Å; V885-F974 HydrophobicContact CG1-CZ 4.46Å; V885-F974 HydrophobicContact CG2-CD1 4.11Å; V885-F974 HydrophobicContact CG2-CE1 3.88Å; I938-F974 HydrophobicContact CD1-CD2 3.45Å; I938-F974 VanDerWaalsContact CD1-CD2 3.45Å; I938-F974 HydrophobicContact CD1-CE2 3.98Å; I938-F974 HydrophobicContact CD1-CG 4.33Å; I938-F974 HydrophobicContact CG1-CD2 4.47Å; V970-F974 WeakPolarHBondContact O-CB 3.29Å; V970-F974 PolarHBondContact O-N 2.87Å; F971-F974 WeakPolarHBondContact O-CB 3.49Å; F971-F974 PolarHBondContact O-N 2.87Å; N972-F974 VanDerWaalsContact C-N 3.3Å; N972-F974 PolarHBondContact O-N 2.86Å; F974-M977 PolarHBondContact O-N 2.94Å; F974-Q978 HydrophobicContact CE2-CG 4.47Å; F974-Q978 HydrophobicContact CZ-CG 4.49Å; F974-Q978 WeakPolarHBondContact O-CG 3.41Å; F974-Q978 PolarHBondContact O-N 3.37Å; F974-Q978 VanDerWaalsContact O-N 3.09Å
975	V	94.3	Very high	92.6	Very high	3 Å²	3	9.5 Å²	9.5	2%	0.018	4%	0.044	C	C	.	.	H	α-helix	trans	-63.6	-42.3	177.5	176.1	0	0	0	0	111.7	V885 I888 F971 N972 M977 Q978 L979 Q1015	V885-V975 HydrophobicContact CG2-CG2 4.29Å; I888-V975 HydrophobicContact CD1-CG1 3.98Å; F971-V975 HydrophobicContact CD2-CG2 4.14Å; F971-V975 HydrophobicContact CE2-CG2 3.69Å; F971-V975 HydrophobicContact CZ-CG2 4.06Å; F971-V975 WeakPolarHBondContact O-CG2 3.25Å; F971-V975 PolarHBondContact O-N 2.93Å; N972-V975 PolarHBondContact O-N 3.2Å; V975-M977 PolarHBondContact O-N 3.12Å; V975-Q978 PolarHBondContact O-N 3.39Å; V975-Q978 VanDerWaalsContact O-N 3.16Å; V975-L979 HydrophobicContact CG1-CD1 4.45Å; V975-L979 PolarHBondContact O-N 2.92Å; V975-Q1015 HydrophobicContact CB-CG 4.43Å; V975-Q1015 HydrophobicContact CG1-CB 4.45Å; V975-Q1015 HydrophobicContact CG1-CG 3.94Å
976	M	95.3	Very high	92.9	Very high	1 Å²	1	6 Å²	6	1%	0.005	3%	0.028	C	C	.	.	H	α-helix	trans	-61.9	-43.5	177.6	-69.3	-62.2	129.9	0	0	112	N972 V973 Q978 L979 F980 F1012 Q1015 W1036 V1040	N972-M976 WeakPolarHBondContact O-CB 3.13Å; N972-M976 VanDerWaalsContact O-CG 3.23Å; N972-M976 WeakPolarHBondContact O-CG 3.2Å; N972-M976 PolarHBondContact O-N 2.93Å; V973-M976 PolarHBondContact O-N 3.35Å; M976-Q978 VanDerWaalsContact C-N 3.29Å; M976-Q978 PolarHBondContact O-N 2.82Å; M976-L979 HydrophobicContact CE-CD1 4.19Å; M976-L979 PolarHBondContact O-N 2.86Å; M976-L979 HydrophobicContact SD-CD1 4.37Å; M976-F980 WeakPolarHBondContact O-CD2 3.29Å; M976-F980 PolarHBondContact O-N 2.83Å; M976-F980 VanDerWaalsContact O-N 3.11Å; M976-F1012 HydrophobicContact CE-CD2 3.72Å; M976-F1012 HydrophobicContact CE-CE2 3.87Å; M976-F1012 HydrophobicContact SD-CD2 3.71Å; M976-F1012 HydrophobicContact SD-CE2 3.58Å; M976-F1012 VanDerWaalsContact SD-CE2 3.58Å; M976-Q1015 HydrophobicContact CE-CB 4.13Å; M976-Q1015 HydrophobicContact CE-CG 3.59Å; M976-W1036 HydrophobicContact CE-CZ3 3.95Å; M976-V1040 HydrophobicContact SD-CG2 4.2Å
977	M	95.4	Very high	92.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-60.6	-39.1	174.3	-73.8	-173.9	-54.1	0	0	111.5	F933 Q934 I937 I938 V973 F974 V975 F980 N981	F933-M977 HydrophobicContact CE1-SD 4.24Å; Q934-M977 HydrophobicContact CB-CE 4.12Å; Q934-M977 HydrophobicContact CB-SD 4.4Å; Q934-M977 HydrophobicContact CG-CB 4.42Å; Q934-M977 HydrophobicContact CG-CE 4.16Å; Q934-M977 HydrophobicContact CG-SD 4.05Å; I937-M977 HydrophobicContact CB-SD 4.16Å; I937-M977 HydrophobicContact CG2-CE 4.31Å; I937-M977 HydrophobicContact CG2-SD 3.93Å; I938-M977 HydrophobicContact CD1-CE 4.02Å; I938-M977 HydrophobicContact CG1-CE 3.8Å; V973-M977 HydrophobicContact CG1-CE 3.91Å; V973-M977 HydrophobicContact CG1-CG 4.31Å; V973-M977 HydrophobicContact CG1-SD 4.16Å; V973-M977 WeakPolarHBondContact O-CB 3.5Å; V973-M977 WeakPolarHBondContact O-CG 3.37Å; V973-M977 PolarHBondContact O-N 3.27Å; F974-M977 PolarHBondContact O-N 2.94Å; V975-M977 PolarHBondContact O-N 3.12Å; M977-F980 PolarHBondContact O-N 3.41Å; M977-N981 WeakPolarHBondContact O-CB 3.45Å; M977-N981 PolarHBondContact O-N 3.47Å
978	Q	94.3	Very high	92.8	Very high	6 Å²	6	6.8 Å²	6.8	3%	0.028	3%	0.032	C	C	.	.	H	α-helix	trans	-65.8	-42.5	175.6	-57.8	-39.3	-29.3	0	0	112.7	F853 V857 F974 V975 M976 F980 N981 E982	F853-Q978 HydrophobicContact CE2-CB 4.31Å; F853-Q978 VanDerWaalsContact CE2-O 3.3Å; F853-Q978 WeakPolarHBondContact CE2-O 3.21Å; F853-Q978 HydrophobicContact CZ-CB 4.33Å; V857-Q978 HydrophobicContact CG1-CG 4.23Å; V857-Q978 HydrophobicContact CG2-CG 4.05Å; F974-Q978 HydrophobicContact CE2-CG 4.47Å; F974-Q978 HydrophobicContact CZ-CG 4.49Å; F974-Q978 WeakPolarHBondContact O-CG 3.41Å; F974-Q978 PolarHBondContact O-N 3.37Å; F974-Q978 VanDerWaalsContact O-N 3.09Å; V975-Q978 PolarHBondContact O-N 3.39Å; V975-Q978 VanDerWaalsContact O-N 3.16Å; M976-Q978 VanDerWaalsContact C-N 3.29Å; M976-Q978 PolarHBondContact O-N 2.82Å; Q978-F980 VanDerWaalsContact C-N 3.3Å; Q978-F980 PolarHBondContact O-N 2.89Å; Q978-N981 CarbonylContact O-C 3.27Å; Q978-N981 PolarHBondContact O-N 3.5Å; Q978-E982 PolarHBondContact O-N 3.45Å
979	L	93.8	Very high	92.2	Very high	7 Å²	7	10.8 Å²	10.8	4%	0.037	5%	0.051	C	C	.	.	H	α-helix	trans	-59.2	-41.2	176.7	-73.4	173.8	0	0	0	112.4	V975 M976 E982 T1011 F1012	V975-L979 HydrophobicContact CG1-CD1 4.45Å; V975-L979 PolarHBondContact O-N 2.92Å; M976-L979 HydrophobicContact CE-CD1 4.19Å; M976-L979 PolarHBondContact O-N 2.86Å; M976-L979 HydrophobicContact SD-CD1 4.37Å; L979-E982 WeakPolarHBondContact O-CB 3.43Å; L979-E982 PolarHBondContact O-N 3.24Å; L979-T1011 HydrophobicContact CD1-CG2 4.5Å; L979-T1011 HydrophobicContact CD2-CG2 3.73Å; L979-T1011 HydrophobicContact CG-CG2 4.49Å; L979-F1012 HydrophobicContact CD1-CB 4.12Å; L979-F1012 HydrophobicContact CD1-CD2 4.25Å
980	F	94.9	Very high	91.2	Very high	40 Å²	40	12.6 Å²	12.6	18%	0.175	7%	0.07	C	C	.	.	H	α-helix	trans	-74.5	-35.1	176.3	-71.6	-58.4	0	0	0	112.7	M976 M977 Q978 E982 I983 N984 V1040 G1043 M1044 E1046 L1047	M976-F980 WeakPolarHBondContact O-CD2 3.29Å; M976-F980 PolarHBondContact O-N 2.83Å; M976-F980 VanDerWaalsContact O-N 3.11Å; M977-F980 PolarHBondContact O-N 3.41Å; Q978-F980 VanDerWaalsContact C-N 3.3Å; Q978-F980 PolarHBondContact O-N 2.89Å; F980-E982 VanDerWaalsContact C-N 3.28Å; F980-E982 PolarHBondContact O-N 3.04Å; F980-I983 HydrophobicContact CD1-CD1 4.28Å; F980-I983 WeakPolarHBondContact O-CB 3.37Å; F980-I983 PolarHBondContact O-N 3.45Å; F980-N984 PolarHBondContact O-N 2.94Å; F980-V1040 HydrophobicContact CE2-CG1 4.47Å; F980-V1040 HydrophobicContact CZ-CG1 4.35Å; F980-G1043 VanDerWaalsContact CD2-O 3.24Å; F980-G1043 WeakPolarHBondContact CD2-O 3.28Å; F980-M1044 HydrophobicContact CE2-CB 4.39Å; F980-M1044 HydrophobicContact CZ-CB 4.43Å; F980-E1046 HydrophobicContact CB-CB 4.15Å; F980-L1047 HydrophobicContact CB-CD2 4.06Å; F980-L1047 HydrophobicContact CB-CG 3.96Å; F980-L1047 HydrophobicContact CD1-CD1 3.62Å; F980-L1047 HydrophobicContact CD1-CD2 4.27Å; F980-L1047 HydrophobicContact CD1-CG 3.87Å; F980-L1047 HydrophobicContact CE1-CD1 4.12Å; F980-L1047 HydrophobicContact CG-CD1 4.38Å; F980-L1047 HydrophobicContact CG-CG 4.18Å; F980-L1047 VanDerWaalsContact O-CD2 3.29Å; F980-L1047 WeakPolarHBondContact O-CD2 3.25Å
981	N	93.6	Very high	90.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.8	-34.2	172.4	-172.5	29.2	0	0	0	111.8	F853 T856 M977 Q978 I983 N984 A985 E1046	F853-N981 HydrophobicContact CE2-CB 4.48Å; T856-N981 WeakPolarHBondContact CG2-ND2 3.43Å; M977-N981 WeakPolarHBondContact O-CB 3.45Å; M977-N981 PolarHBondContact O-N 3.47Å; Q978-N981 CarbonylContact O-C 3.27Å; Q978-N981 PolarHBondContact O-N 3.5Å; N981-I983 PolarHBondContact O-N 3.44Å; N981-N984 WeakPolarHBondContact O-CB 3.31Å; N981-N984 PolarHBondContact O-N 3.21Å; N981-N984 VanDerWaalsContact O-N 3.07Å; N981-A985 WeakPolarHBondContact O-CB 3.36Å; N981-A985 PolarHBondContact O-N 2.8Å; N981-E1046 HydrophobicContact CB-CG 3.92Å
982	E	93.3	Very high	90.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.5	-37.7	175	-161.4	-176.7	170.1	0	0	111.3	F853 A896 L897 Q978 L979 F980 A985 F1004	F853-E982 HydrophobicContact CD2-CB 4.12Å; F853-E982 HydrophobicContact CD2-CG 4.39Å; F853-E982 HydrophobicContact CE1-CG 4.42Å; F853-E982 HydrophobicContact CE2-CB 3.75Å; F853-E982 HydrophobicContact CE2-CG 4.21Å; F853-E982 HydrophobicContact CZ-CB 4.1Å; F853-E982 HydrophobicContact CZ-CG 4.21Å; A896-E982 WeakPolarHBondContact CB-OE1 3.45Å; L897-E982 HydrophobicContact CD1-CG 4.18Å; L897-E982 HydrophobicContact CD2-CG 4.34Å; L897-E982 HydrophobicContact CG-CG 4.32Å; Q978-E982 PolarHBondContact O-N 3.45Å; L979-E982 WeakPolarHBondContact O-CB 3.43Å; L979-E982 PolarHBondContact O-N 3.24Å; F980-E982 VanDerWaalsContact C-N 3.28Å; F980-E982 PolarHBondContact O-N 3.04Å; E982-A985 PolarHBondContact O-N 3.01Å; E982-F1004 HydrophobicContact CG-CE2 4.14Å
983	I	92.8	Very high	89.9	Confident	21 Å²	21	27.9 Å²	27.9	11%	0.108	14%	0.137	C	C	.	.	H	α-helix	trans	-68	-43.8	174.8	-60.2	170	0	0	0	111.1	F980 N981 A985 R986 V994 F995 F1004 L1047	F980-I983 HydrophobicContact CD1-CD1 4.28Å; F980-I983 WeakPolarHBondContact O-CB 3.37Å; F980-I983 PolarHBondContact O-N 3.45Å; N981-I983 PolarHBondContact O-N 3.44Å; I983-A985 VanDerWaalsContact C-N 3.33Å; I983-A985 PolarHBondContact O-N 3.36Å; I983-R986 WeakPolarHBondContact O-CB 3.38Å; I983-R986 PolarHBondContact O-N 2.82Å; I983-V994 HydrophobicContact CG2-CB 4.21Å; I983-V994 HydrophobicContact CG2-CG2 4.14Å; I983-F995 HydrophobicContact CG2-CE1 4.24Å; I983-F1004 HydrophobicContact CG1-CE1 4.38Å; I983-F1004 HydrophobicContact CG1-CZ 4.03Å; I983-L1047 HydrophobicContact CB-CD2 4.11Å; I983-L1047 HydrophobicContact CG2-CD2 4.22Å
984	N	92.6	Very high	89.5	Confident	8 Å²	8	28.1 Å²	28.1	4%	0.043	14%	0.139	C	C	.	.	H	α-helix	trans	-63.7	-38.9	176.3	-76.9	-31.9	0	0	0	112.1	H930 F980 N981 R986 K987 E1046	H930-N984 PolarHBondContact CE1-ND2 3.12Å; F980-N984 PolarHBondContact O-N 2.94Å; N981-N984 WeakPolarHBondContact O-CB 3.31Å; N981-N984 PolarHBondContact O-N 3.21Å; N981-N984 VanDerWaalsContact O-N 3.07Å; N984-R986 PolarHBondContact O-N 3.17Å; N984-R986 VanDerWaalsContact O-N 3.16Å; N984-K987 PolarHBondContact O-N 2.88Å; N984-K987 VanDerWaalsContact O-N 3.16Å; N984-E1046 PolarHBondContact ND2-O 3.22Å
985	A	91.6	Very high	89.2	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.8	-14.3	-177.5	0	0	0	0	0	114	K849 F853 N981 E982 I983 K987	K849-A985 WeakPolarHBondContact CB-O 3.5Å; K849-A985 WeakPolarHBondContact CG-O 3.47Å; F853-A985 HydrophobicContact CB-CB 3.73Å; F853-A985 HydrophobicContact CD2-CB 4.41Å; F853-A985 HydrophobicContact CG-CB 4.49Å; N981-A985 WeakPolarHBondContact O-CB 3.36Å; N981-A985 PolarHBondContact O-N 2.8Å; E982-A985 PolarHBondContact O-N 3.01Å; I983-A985 VanDerWaalsContact C-N 3.33Å; I983-A985 PolarHBondContact O-N 3.36Å; A985-K987 PolarHBondContact O-N 3.48Å; A985-K987 VanDerWaalsContact O-N 3.17Å
986	R	91.2	Very high	88.7	Confident	6 Å²	6	39.3 Å²	39.3	2%	0.023	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23	170.9	-66.6	-180	65.3	-126.8	1.6	113.1	K849 L897 E900 I983 N984 V994 E996 F1004	K849-R986 VanDerWaalsContact CD-O 3.25Å; K849-R986 WeakPolarHBondContact CD-O 3.49Å; K849-R986 WeakPolarHBondContact CE-O 3.37Å; L897-R986 HydrophobicContact CD2-CG 3.81Å; E900-R986 IonicContact OE1-CZ 3.59Å; E900-R986 IonicContact OE1-NE 2.67Å; E900-R986 PolarHBondContact OE1-NE 2.91Å; E900-R986 IonicContact OE1-NH2 2.92Å; E900-R986 PolarHBondContact OE1-NH2 3.45Å; I983-R986 WeakPolarHBondContact O-CB 3.38Å; I983-R986 PolarHBondContact O-N 2.82Å; N984-R986 PolarHBondContact O-N 3.17Å; N984-R986 VanDerWaalsContact O-N 3.16Å; R986-V994 PolarHBondContact NH1-O 3.06Å; R986-E996 PolarHBondContact NH1-O 2.78Å; R986-E996 PolarHBondContact NH2-O 3.4Å; R986-F1004 HydrophobicContact CG-CE2 4.02Å; R986-F1004 HydrophobicContact CG-CZ 4.17Å
987	K	88.8	Confident	88	Confident	32 Å²	32	40.7 Å²	40.7	14%	0.139	20%	0.203	C	C	.	.			trans	-116.1	121.5	-176.9	-60	-54.6	-165.7	167	0	111.2	N984 A985 E991 N993 V994	N984-K987 PolarHBondContact O-N 2.88Å; N984-K987 VanDerWaalsContact O-N 3.16Å; A985-K987 PolarHBondContact O-N 3.48Å; A985-K987 VanDerWaalsContact O-N 3.17Å; K987-E991 HydrophobicContact CB-CB 4.21Å; K987-E991 HydrophobicContact CD-CB 4.08Å; K987-E991 VanDerWaalsContact CD-OE2 3.27Å; K987-E991 WeakPolarHBondContact CD-OE2 3.4Å; K987-E991 VanDerWaalsContact CE-OE2 3.28Å; K987-E991 WeakPolarHBondContact CE-OE2 3.27Å; K987-E991 HydrophobicContact CG-CB 4.2Å; K987-E991 IonicContact NZ-OE2 3.41Å; K987-E991 PolarHBondContact NZ-OE2 2.82Å; K987-N993 WeakPolarHBondContact CE-O 3.49Å; K987-V994 HydrophobicContact CG-CG1 4.29Å
988	I	85	Confident	87.6	Confident	10 Å²	10	41.6 Å²	41.6	5%	0.051	21%	0.209	C	C	.	.			trans	-114.3	-23	-174.1	45.9	159.6	0	0	0	114	D845 K849 G990	D845-I988 HydrophobicContact CB-CD1 4.08Å; K849-I988 HydrophobicContact CG-CD1 4.48Å; K849-I988 HydrophobicContact CG-CG1 4.25Å; K849-I988 HydrophobicContact CG-CG2 3.86Å; I988-G990 PolarHBondContact O-N 2.9Å
989	H	80.2	Confident	87.2	Confident	83 Å²	83	51.3 Å²	51.3	38%	0.384	25%	0.247	S	C	.	.	S	Bend	trans	-95.4	20.5	-176	-60.7	89.1	0	0	0	114.6	D845 R909 Y912	D845-H989 IonicContact OD1-CE1 2.75Å; D845-H989 IonicContact OD2-CE1 3.74Å; D845-H989 PolarHBondContact OD2-CE1 2.89Å; R909-H989 PolarHBondContact NH1-CE1 3.09Å; R909-H989 PolarHBondContact NH1-NE2 2.96Å; R909-H989 VanDerWaalsContact NH1-NE2 3.2Å; Y912-H989 AromaticContact CZ-NE2 3.93Å; Y912-H989 PolarHBondContact OH-CE1 2.94Å; Y912-H989 PolarHBondContact OH-NE2 3.36Å
990	G	71.3	Confident	86.8	Confident	42 Å²	42	58.6 Å²	58.6	43%	0.433	28%	0.278	S	S	.	.	S	Bend	trans	77.6	20.8	-179.3	0	0	0	0	0	114.2	I988	I988-G990 PolarHBondContact O-N 2.9Å
991	E	81.1	Confident	86.4	Confident	76 Å²	76	56.9 Å²	56.9	36%	0.355	27%	0.271	S	S	.	.			trans	-66.9	133.1	170.9	-63.4	171.1	-138.4	0	0	110.1	K987	K987-E991 HydrophobicContact CB-CB 4.21Å; K987-E991 HydrophobicContact CD-CB 4.08Å; K987-E991 VanDerWaalsContact CD-OE2 3.27Å; K987-E991 WeakPolarHBondContact CD-OE2 3.4Å; K987-E991 VanDerWaalsContact CE-OE2 3.28Å; K987-E991 WeakPolarHBondContact CE-OE2 3.27Å; K987-E991 HydrophobicContact CG-CB 4.2Å; K987-E991 IonicContact NZ-OE2 3.41Å; K987-E991 PolarHBondContact NZ-OE2 2.82Å
992	R	82	Confident	86.2	Confident	165 Å²	165	61 Å²	61	62%	0.623	30%	0.298	S	S	*	.	S	Bend	trans	-82	-36.6	-177.9	-68.3	-173	175.5	-176.1	-1.4	113.2	V994 Q1051	R992-V994 PolarHBondContact O-N 3.33Å; R992-Q1051 PolarHBondContact O-NE2 2.94Å; R992-Q1051 PolarHBondContact O-OE1 3.45Å
993	N	86.9	Confident	86	Confident	82 Å²	82	63.6 Å²	63.6	44%	0.439	31%	0.311	S	S	.	.			trans	-81.5	91.4	-175	-168.1	-4.2	0	0	0	111.8	K987 F995 E996	K987-N993 WeakPolarHBondContact CE-O 3.49Å; N993-F995 VanDerWaalsContact C-N 3.28Å; N993-F995 PolarHBondContact O-N 3.44Å; N993-F995 PolarHBondContact OD1-N 3.31Å; N993-E996 HydrophobicContact CB-CB 4.2Å; N993-E996 PolarHBondContact O-N 3.22Å; N993-E996 PolarHBondContact OD1-N 2.85Å
994	V	86.8	Confident	86	Confident	8 Å²	8	62.8 Å²	62.8	5%	0.048	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-19.6	178.5	-62.1	0	0	0	0	113.3	I983 R986 K987 R992	I983-V994 HydrophobicContact CG2-CB 4.21Å; I983-V994 HydrophobicContact CG2-CG2 4.14Å; R986-V994 PolarHBondContact NH1-O 3.06Å; K987-V994 HydrophobicContact CG-CG1 4.29Å; R992-V994 PolarHBondContact O-N 3.33Å
995	F	88.1	Confident	86	Confident	122 Å²	122	63.9 Å²	63.9	54%	0.535	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-7.6	179.2	-62.1	-70	0	0	0	113.5	I983 N993 G997 V998 L1047	I983-F995 HydrophobicContact CG2-CE1 4.24Å; N993-F995 VanDerWaalsContact C-N 3.28Å; N993-F995 PolarHBondContact O-N 3.44Å; N993-F995 PolarHBondContact OD1-N 3.31Å; F995-G997 PolarHBondContact O-N 3.44Å; F995-V998 HydrophobicContact CB-CG2 4.45Å; F995-V998 HydrophobicContact CD1-CG2 4.45Å; F995-V998 WeakPolarHBondContact O-CG2 3.29Å; F995-V998 PolarHBondContact O-N 2.7Å; F995-L1047 HydrophobicContact CZ-CD1 4.15Å
996	E	84.8	Confident	86	Confident	116 Å²	116	67.8 Å²	67.8	54%	0.542	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	124	179.6	-163.9	177.1	166.2	0	0	110.7	R986 N993 V998	R986-E996 PolarHBondContact NH1-O 2.78Å; R986-E996 PolarHBondContact NH2-O 3.4Å; N993-E996 HydrophobicContact CB-CB 4.2Å; N993-E996 PolarHBondContact O-N 3.22Å; N993-E996 PolarHBondContact OD1-N 2.85Å; E996-V998 VanDerWaalsContact C-N 3.25Å; E996-V998 PolarHBondContact O-N 2.96Å
997	G	80.5	Confident	86	Confident	30 Å²	30	68.2 Å²	68.2	31%	0.309	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	12	176	0	0	0	0	0	115.9	F995 Y999 K1000	F995-G997 PolarHBondContact O-N 3.44Å; G997-Y999 VanDerWaalsContact C-N 3.31Å; G997-Y999 PolarHBondContact O-N 3.26Å; G997-K1000 WeakPolarHBondContact O-CB 3.21Å; G997-K1000 PolarHBondContact O-N 3.46Å
998	V	86.1	Confident	86.2	Confident	19 Å²	19	67.8 Å²	67.8	12%	0.115	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-52.6	-49.4	178.2	173.4	0	0	0	0	111.1	F995 E996 K1000 N1001 F1004	F995-V998 HydrophobicContact CB-CG2 4.45Å; F995-V998 HydrophobicContact CD1-CG2 4.45Å; F995-V998 WeakPolarHBondContact O-CG2 3.29Å; F995-V998 PolarHBondContact O-N 2.7Å; E996-V998 VanDerWaalsContact C-N 3.25Å; E996-V998 PolarHBondContact O-N 2.96Å; V998-K1000 PolarHBondContact O-N 2.93Å; V998-K1000 VanDerWaalsContact O-N 3.09Å; V998-N1001 PolarHBondContact O-N 2.74Å; V998-N1001 VanDerWaalsContact O-N 3.15Å; V998-F1004 HydrophobicContact CG1-CD1 4.14Å; V998-F1004 HydrophobicContact CG1-CE1 4.21Å
999	Y	86.8	Confident	86.6	Confident	211 Å²	211	73 Å²	73	83%	0.827	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-67.1	-12.1	-177.4	-55.5	-72.5	0	0	0	114.5	G997 N1001	G997-Y999 VanDerWaalsContact C-N 3.31Å; G997-Y999 PolarHBondContact O-N 3.26Å; Y999-N1001 VanDerWaalsContact C-N 3.27Å
1000	K	84.5	Confident	87.2	Confident	160 Å²	160	70.9 Å²	70.9	70%	0.696	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-74.3	-21.3	176.3	-64.6	-176	178.1	178.3	0	112	P901 G997 V998 P1002	P901-K1000 HydrophobicContact CG-CB 4.46Å; G997-K1000 WeakPolarHBondContact O-CB 3.21Å; G997-K1000 PolarHBondContact O-N 3.46Å; V998-K1000 PolarHBondContact O-N 2.93Å; V998-K1000 VanDerWaalsContact O-N 3.09Å; K1000-P1002 WeakPolarHBondContact O-CD 3.45Å
1001	N	86.7	Confident	88.2	Confident	3 Å²	3	69 Å²	69	2%	0.016	35%	0.354	C	S	.	.			trans	-107.3	94.9	176	-170.9	-5.3	0	0	0	110.5	A896 T899 V998 Y999 I1003 F1004 C1005	A896-N1001 PolarHBondContact O-ND2 2.84Å; T899-N1001 PolarHBondContact OG1-ND2 3.34Å; V998-N1001 PolarHBondContact O-N 2.74Å; V998-N1001 VanDerWaalsContact O-N 3.15Å; Y999-N1001 VanDerWaalsContact C-N 3.27Å; N1001-I1003 PolarHBondContact O-N 3.44Å; N1001-I1003 WeakPolarHBondContact OD1-CB 3.37Å; N1001-I1003 PolarHBondContact OD1-N 2.88Å; N1001-I1003 VanDerWaalsContact OD1-N 3.11Å; N1001-F1004 HydrophobicContact CB-CB 3.94Å; N1001-F1004 PolarHBondContact O-N 3.26Å; N1001-F1004 PolarHBondContact OD1-N 2.61Å; N1001-C1005 PolarHBondContact O-N 3.12Å
1002	P	89.1	Confident	88.9	Confident	88 Å²	88	69 Å²	69	57%	0.571	35%	0.352	S	S	*	.	H	α-helix	trans	-66.8	-25	179.1	27.8	-35	0	0	0	113	K1000 S1006	K1000-P1002 WeakPolarHBondContact O-CD 3.45Å; P1002-S1006 WeakPolarHBondContact O-CB 3.41Å; P1002-S1006 PolarHBondContact O-N 3.4Å; P1002-S1006 PolarHBondContact O-OG 3.08Å
1003	I	89.8	Confident	89.5	Confident	54 Å²	54	63.3 Å²	63.3	28%	0.277	34%	0.341	S	S	.	.	H	α-helix	trans	-66.8	-48.6	177.5	-59.7	173.1	0	0	0	109.2	Y440 L895 T899 N1001 C1005 S1006 V1007	Y440-I1003 HydrophobicContact CE2-CD1 4.37Å; L895-I1003 HydrophobicContact CD1-CG2 4.48Å; L895-I1003 HydrophobicContact CD2-CG2 4.33Å; L895-I1003 HydrophobicContact CG-CG2 3.92Å; T899-I1003 HydrophobicContact CG2-CD1 4.3Å; N1001-I1003 PolarHBondContact O-N 3.44Å; N1001-I1003 WeakPolarHBondContact OD1-CB 3.37Å; N1001-I1003 PolarHBondContact OD1-N 2.88Å; N1001-I1003 VanDerWaalsContact OD1-N 3.11Å; I1003-C1005 PolarHBondContact O-N 3.34Å; I1003-S1006 PolarHBondContact O-N 3.47Å; I1003-V1007 HydrophobicContact CG2-CG2 4.47Å; I1003-V1007 WeakPolarHBondContact O-CG2 3.29Å; I1003-V1007 PolarHBondContact O-N 3.17Å
1004	F	91.8	Very high	89.7	Confident	4 Å²	4	63 Å²	63	2%	0.018	34%	0.339	C	S	.	.	H	α-helix	trans	-55.8	-51.3	176.6	-179.7	-91.6	0	0	0	112.1	A896 L897 E982 I983 R986 V998 N1001 S1006 V1007 V1008	A896-F1004 HydrophobicContact CB-CD2 3.93Å; L897-F1004 HydrophobicContact CD2-CD2 4.27Å; L897-F1004 HydrophobicContact CD2-CE2 3.89Å; E982-F1004 HydrophobicContact CG-CE2 4.14Å; I983-F1004 HydrophobicContact CG1-CE1 4.38Å; I983-F1004 HydrophobicContact CG1-CZ 4.03Å; R986-F1004 HydrophobicContact CG-CE2 4.02Å; R986-F1004 HydrophobicContact CG-CZ 4.17Å; V998-F1004 HydrophobicContact CG1-CD1 4.14Å; V998-F1004 HydrophobicContact CG1-CE1 4.21Å; N1001-F1004 HydrophobicContact CB-CB 3.94Å; N1001-F1004 PolarHBondContact O-N 3.26Å; N1001-F1004 PolarHBondContact OD1-N 2.61Å; F1004-S1006 VanDerWaalsContact C-N 3.29Å; F1004-S1006 PolarHBondContact O-N 2.84Å; F1004-V1007 PolarHBondContact O-N 3.24Å; F1004-V1008 HydrophobicContact CD1-CG2 4.3Å; F1004-V1008 HydrophobicContact CE1-CG2 3.81Å; F1004-V1008 HydrophobicContact CE2-CG2 4.07Å; F1004-V1008 HydrophobicContact CZ-CG2 3.66Å; F1004-V1008 WeakPolarHBondContact O-CG2 3.3Å; F1004-V1008 PolarHBondContact O-N 3.48Å
1005	C	92.3	Very high	90.1	Very high	30 Å²	30	62.6 Å²	62.6	20%	0.203	34%	0.336	C	S	.	.	H	α-helix	trans	-60.3	-39.4	178.6	-64.4	0	0	0	0	112.5	N1001 I1003 L1009	N1001-C1005 PolarHBondContact O-N 3.12Å; I1003-C1005 PolarHBondContact O-N 3.34Å; C1005-L1009 VanDerWaalsContact O-CB 3.31Å; C1005-L1009 WeakPolarHBondContact O-CB 3.13Å; C1005-L1009 VanDerWaalsContact O-CG 3.26Å; C1005-L1009 WeakPolarHBondContact O-CG 3.5Å; C1005-L1009 PolarHBondContact O-N 3.15Å
1006	S	91.9	Very high	90.3	Very high	82 Å²	82	59.9 Å²	59.9	57%	0.573	33%	0.327	S	S	*	.	H	α-helix	trans	-68	-38.5	179.7	-57	0	0	0	0	111.9	P1002 I1003 F1004 G1010	P1002-S1006 WeakPolarHBondContact O-CB 3.41Å; P1002-S1006 PolarHBondContact O-N 3.4Å; P1002-S1006 PolarHBondContact O-OG 3.08Å; I1003-S1006 PolarHBondContact O-N 3.47Å; F1004-S1006 VanDerWaalsContact C-N 3.29Å; F1004-S1006 PolarHBondContact O-N 2.84Å; S1006-G1010 WeakPolarHBondContact O-CA 3.27Å; S1006-G1010 PolarHBondContact O-N 2.96Å
1007	V	91.6	Very high	90.8	Very high	16 Å²	16	58.9 Å²	58.9	10%	0.097	32%	0.324	C	S	.	.	H	α-helix	trans	-67.6	-50.7	176.6	170.8	0	0	0	0	110.7	L892 A896 I1003 F1004 L1009 G1010 T1011	L892-V1007 HydrophobicContact CB-CG1 3.88Å; A896-V1007 HydrophobicContact CB-CB 3.99Å; A896-V1007 HydrophobicContact CB-CG1 4Å; A896-V1007 HydrophobicContact CB-CG2 4.18Å; I1003-V1007 HydrophobicContact CG2-CG2 4.47Å; I1003-V1007 WeakPolarHBondContact O-CG2 3.29Å; I1003-V1007 PolarHBondContact O-N 3.17Å; F1004-V1007 PolarHBondContact O-N 3.24Å; V1007-L1009 PolarHBondContact O-N 3.05Å; V1007-G1010 PolarHBondContact O-N 3.23Å; V1007-T1011 WeakPolarHBondContact O-CB 3.25Å; V1007-T1011 PolarHBondContact O-N 3.4Å; V1007-T1011 PolarHBondContact O-OG1 3.43Å
1008	V	92.3	Very high	91.2	Very high	23 Å²	23	57.9 Å²	57.9	14%	0.139	31%	0.312	C	S	.	.	H	α-helix	trans	-61.5	-48.1	-178.4	173.6	0	0	0	0	111.6	F1004 F1012	F1004-V1008 HydrophobicContact CD1-CG2 4.3Å; F1004-V1008 HydrophobicContact CE1-CG2 3.81Å; F1004-V1008 HydrophobicContact CE2-CG2 4.07Å; F1004-V1008 HydrophobicContact CZ-CG2 3.66Å; F1004-V1008 WeakPolarHBondContact O-CG2 3.3Å; F1004-V1008 PolarHBondContact O-N 3.48Å; V1008-F1012 WeakPolarHBondContact O-CB 3.49Å; V1008-F1012 PolarHBondContact O-N 3.32Å
1009	L	93.7	Very high	91.6	Very high	119 Å²	119	57 Å²	57	62%	0.623	31%	0.306	S	S	*	.	H	α-helix	trans	-69	-38.1	179	-66.6	174.6	0	0	0	112.1	C1005 V1007 F1012 A1013	C1005-L1009 VanDerWaalsContact O-CB 3.31Å; C1005-L1009 WeakPolarHBondContact O-CB 3.13Å; C1005-L1009 VanDerWaalsContact O-CG 3.26Å; C1005-L1009 WeakPolarHBondContact O-CG 3.5Å; C1005-L1009 PolarHBondContact O-N 3.15Å; V1007-L1009 PolarHBondContact O-N 3.05Å; L1009-F1012 PolarHBondContact O-N 3.49Å; L1009-A1013 WeakPolarHBondContact O-CB 3.32Å; L1009-A1013 PolarHBondContact O-N 2.89Å
1010	G	93.7	Very high	91.8	Very high	39 Å²	39	50.5 Å²	50.5	40%	0.402	28%	0.283	S	S	.	.	H	α-helix	trans	-64	-45.2	177.2	0	0	0	0	0	112.1	S1006 V1007 A1013 L1014	S1006-G1010 WeakPolarHBondContact O-CA 3.27Å; S1006-G1010 PolarHBondContact O-N 2.96Å; V1007-G1010 PolarHBondContact O-N 3.23Å; G1010-A1013 PolarHBondContact O-N 2.88Å; G1010-L1014 WeakPolarHBondContact O-CB 3.45Å; G1010-L1014 PolarHBondContact O-N 3.26Å
1011	T	92.4	Very high	92.1	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-65.7	-40.5	176.6	-56.9	0	0	0	0	111.4	W884 I888 L979 V1007 L1014 Q1015	W884-T1011 HydrophobicContact CH2-CG2 4.47Å; W884-T1011 HydrophobicContact CZ2-CG2 4.1Å; I888-T1011 HydrophobicContact CD1-CG2 3.54Å; I888-T1011 HydrophobicContact CG1-CG2 3.65Å; I888-T1011 HydrophobicContact CG2-CG2 4.17Å; L979-T1011 HydrophobicContact CD1-CG2 4.5Å; L979-T1011 HydrophobicContact CD2-CG2 3.73Å; L979-T1011 HydrophobicContact CG-CG2 4.49Å; V1007-T1011 WeakPolarHBondContact O-CB 3.25Å; V1007-T1011 PolarHBondContact O-N 3.4Å; V1007-T1011 PolarHBondContact O-OG1 3.43Å; T1011-L1014 PolarHBondContact O-N 3.4Å; T1011-Q1015 VanDerWaalsContact O-CB 3.31Å; T1011-Q1015 WeakPolarHBondContact O-CB 3.41Å; T1011-Q1015 PolarHBondContact O-N 2.8Å
1012	F	94.6	Very high	91.8	Very high	74 Å²	74	51 Å²	51	33%	0.325	29%	0.289	S	S	.	.	H	α-helix	trans	-60.3	-46.7	174.2	-178.5	-103.1	0	0	0	112	M976 L979 V1008 L1009 Q1015 I1016 V1040	M976-F1012 HydrophobicContact CE-CD2 3.72Å; M976-F1012 HydrophobicContact CE-CE2 3.87Å; M976-F1012 HydrophobicContact SD-CD2 3.71Å; M976-F1012 HydrophobicContact SD-CE2 3.58Å; M976-F1012 VanDerWaalsContact SD-CE2 3.58Å; L979-F1012 HydrophobicContact CD1-CB 4.12Å; L979-F1012 HydrophobicContact CD1-CD2 4.25Å; V1008-F1012 WeakPolarHBondContact O-CB 3.49Å; V1008-F1012 PolarHBondContact O-N 3.32Å; L1009-F1012 PolarHBondContact O-N 3.49Å; F1012-Q1015 PolarHBondContact O-N 3.38Å; F1012-I1016 HydrophobicContact CD1-CD1 3.99Å; F1012-I1016 HydrophobicContact CE1-CD1 3.56Å; F1012-I1016 HydrophobicContact CZ-CD1 3.99Å; F1012-I1016 WeakPolarHBondContact O-CG1 3.36Å; F1012-I1016 PolarHBondContact O-N 3.38Å; F1012-I1016 VanDerWaalsContact O-N 3.13Å; F1012-V1040 HydrophobicContact CE2-CG2 4.27Å
1013	A	94.7	Very high	91.5	Very high	47 Å²	47	48.1 Å²	48.1	39%	0.388	28%	0.275	S	S	.	.	H	α-helix	trans	-64.1	-41.8	177.3	0	0	0	0	0	112.3	L1009 G1010 Q1015 I1016 I1017	L1009-A1013 WeakPolarHBondContact O-CB 3.32Å; L1009-A1013 PolarHBondContact O-N 2.89Å; G1010-A1013 PolarHBondContact O-N 2.88Å; A1013-Q1015 VanDerWaalsContact C-N 3.34Å; A1013-I1016 WeakPolarHBondContact O-CB 3.28Å; A1013-I1016 PolarHBondContact O-N 3.45Å; A1013-I1017 WeakPolarHBondContact O-CG1 3.46Å; A1013-I1017 PolarHBondContact O-N 3.46Å; A1013-I1017 VanDerWaalsContact O-N 3.14Å
1014	L	92.3	Very high	90.9	Very high	74 Å²	74	51.2 Å²	51.2	39%	0.387	29%	0.287	S	S	.	.	H	α-helix	trans	-67.7	-35.8	178.2	-173.1	49.9	0	0	0	111.6	W884 G1010 T1011 I1016 I1017 I1018	W884-L1014 HydrophobicContact CH2-CB 4.07Å; W884-L1014 HydrophobicContact CH2-CD2 3.3Å; W884-L1014 HydrophobicContact CH2-CG 3.59Å; W884-L1014 HydrophobicContact CZ2-CB 4.37Å; W884-L1014 HydrophobicContact CZ2-CD2 4.28Å; W884-L1014 HydrophobicContact CZ2-CG 4.09Å; W884-L1014 HydrophobicContact CZ3-CD2 3.59Å; W884-L1014 HydrophobicContact CZ3-CG 4.17Å; G1010-L1014 WeakPolarHBondContact O-CB 3.45Å; G1010-L1014 PolarHBondContact O-N 3.26Å; T1011-L1014 PolarHBondContact O-N 3.4Å; L1014-I1016 VanDerWaalsContact C-N 3.34Å; L1014-I1016 PolarHBondContact O-N 2.86Å; L1014-I1017 PolarHBondContact O-N 3.35Å; L1014-I1018 HydrophobicContact CD1-CD1 4.37Å; L1014-I1018 HydrophobicContact CD1-CG1 4.37Å; L1014-I1018 HydrophobicContact CG-CD1 4.04Å; L1014-I1018 VanDerWaalsContact O-CG1 3.32Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.5Å; L1014-I1018 PolarHBondContact O-N 2.94Å
1015	Q	94.4	Very high	90.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-40.5	172.9	-175.7	65.6	12.6	0	0	111.9	F971 N972 V975 M976 T1011 F1012 A1013 I1017 I1018 V1019 W1036	F971-Q1015 VanDerWaalsContact CE1-NE2 3.28Å; N972-Q1015 PolarHBondContact OD1-NE2 3.29Å; V975-Q1015 HydrophobicContact CB-CG 4.43Å; V975-Q1015 HydrophobicContact CG1-CB 4.45Å; V975-Q1015 HydrophobicContact CG1-CG 3.94Å; M976-Q1015 HydrophobicContact CE-CB 4.13Å; M976-Q1015 HydrophobicContact CE-CG 3.59Å; T1011-Q1015 VanDerWaalsContact O-CB 3.31Å; T1011-Q1015 WeakPolarHBondContact O-CB 3.41Å; T1011-Q1015 PolarHBondContact O-N 2.8Å; F1012-Q1015 PolarHBondContact O-N 3.38Å; A1013-Q1015 VanDerWaalsContact C-N 3.34Å; Q1015-I1017 VanDerWaalsContact C-N 3.32Å; Q1015-I1017 PolarHBondContact O-N 2.98Å; Q1015-I1018 PolarHBondContact O-N 3.32Å; Q1015-V1019 HydrophobicContact CG-CG2 4.47Å; Q1015-V1019 WeakPolarHBondContact O-CB 3.45Å; Q1015-V1019 WeakPolarHBondContact O-CG2 3.43Å; Q1015-V1019 PolarHBondContact O-N 3.47Å; Q1015-W1036 HydrophobicContact CG-CH2 4.39Å
1016	I	93.4	Very high	89.7	Confident	65 Å²	65	55.2 Å²	55.2	33%	0.333	31%	0.307	S	S	.	.	H	α-helix	trans	-59.6	-45.2	173.6	-67.2	167.6	0	0	0	110.5	F1012 A1013 L1014 V1019 Q1020 W1036	F1012-I1016 HydrophobicContact CD1-CD1 3.99Å; F1012-I1016 HydrophobicContact CE1-CD1 3.56Å; F1012-I1016 HydrophobicContact CZ-CD1 3.99Å; F1012-I1016 WeakPolarHBondContact O-CG1 3.36Å; F1012-I1016 PolarHBondContact O-N 3.38Å; F1012-I1016 VanDerWaalsContact O-N 3.13Å; A1013-I1016 WeakPolarHBondContact O-CB 3.28Å; A1013-I1016 PolarHBondContact O-N 3.45Å; L1014-I1016 VanDerWaalsContact C-N 3.34Å; L1014-I1016 PolarHBondContact O-N 2.86Å; I1016-V1019 PolarHBondContact O-N 3.42Å; I1016-Q1020 VanDerWaalsContact O-CB 3.3Å; I1016-Q1020 WeakPolarHBondContact O-CB 3.4Å; I1016-Q1020 PolarHBondContact O-N 2.97Å; I1016-W1036 HydrophobicContact CB-CH2 4.3Å; I1016-W1036 HydrophobicContact CB-CZ2 4.41Å; I1016-W1036 HydrophobicContact CG1-CH2 3.76Å; I1016-W1036 HydrophobicContact CG1-CZ2 4.18Å; I1016-W1036 HydrophobicContact CG1-CZ3 4.12Å
1017	I	93.4	Very high	89.1	Confident	95 Å²	95	53.2 Å²	53.2	49%	0.487	29%	0.293	S	S	.	.	H	α-helix	trans	-63.5	-45.4	179.3	-65.2	167.3	0	0	0	110.8	A1013 L1014 Q1015 F1021	A1013-I1017 WeakPolarHBondContact O-CG1 3.46Å; A1013-I1017 PolarHBondContact O-N 3.46Å; A1013-I1017 VanDerWaalsContact O-N 3.14Å; L1014-I1017 PolarHBondContact O-N 3.35Å; Q1015-I1017 VanDerWaalsContact C-N 3.32Å; Q1015-I1017 PolarHBondContact O-N 2.98Å; I1017-F1021 HydrophobicContact CG2-CD2 4.32Å; I1017-F1021 WeakPolarHBondContact O-CA 3.46Å; I1017-F1021 WeakPolarHBondContact O-CB 3.44Å; I1017-F1021 PolarHBondContact O-N 3.44Å
1018	I	90.7	Very high	89	Confident	10 Å²	10	52.5 Å²	52.5	5%	0.051	29%	0.289	C	S	.	.	H	α-helix	trans	-63.1	-44.4	-179.7	-71.4	168.1	0	0	0	111.2	W884 F971 L1014 Q1015 G1022 F1026	W884-I1018 HydrophobicContact CD2-CD1 3.69Å; W884-I1018 HydrophobicContact CE3-CD1 4.04Å; W884-I1018 HydrophobicContact CG-CD1 4.22Å; W884-I1018 HydrophobicContact CH2-CD1 4.21Å; W884-I1018 HydrophobicContact CZ2-CD1 3.78Å; W884-I1018 HydrophobicContact CZ3-CD1 4.29Å; F971-I1018 HydrophobicContact CE1-CG2 4.4Å; L1014-I1018 HydrophobicContact CD1-CD1 4.37Å; L1014-I1018 HydrophobicContact CD1-CG1 4.37Å; L1014-I1018 HydrophobicContact CG-CD1 4.04Å; L1014-I1018 VanDerWaalsContact O-CG1 3.32Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.5Å; L1014-I1018 PolarHBondContact O-N 2.94Å; Q1015-I1018 PolarHBondContact O-N 3.32Å; I1018-G1022 WeakPolarHBondContact O-CA 3.47Å; I1018-G1022 PolarHBondContact O-N 2.88Å; I1018-F1026 HydrophobicContact CD1-CE1 4.35Å; I1018-F1026 HydrophobicContact CG1-CE1 4.44Å; I1018-F1026 HydrophobicContact CG2-CB 4.04Å; I1018-F1026 HydrophobicContact CG2-CD1 3.73Å; I1018-F1026 HydrophobicContact CG2-CD2 4.44Å; I1018-F1026 HydrophobicContact CG2-CE1 4.3Å; I1018-F1026 HydrophobicContact CG2-CG 3.81Å
1019	V	92.9	Very high	88.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-72.2	-40	-178.2	168	0	0	0	0	111.5	T968 F971 N972 Q1015 I1016 L1031 W1036	T968-V1019 HydrophobicContact CG2-CG1 3.98Å; F971-V1019 HydrophobicContact CE1-CG2 4.31Å; N972-V1019 HydrophobicContact CB-CG2 4.46Å; Q1015-V1019 HydrophobicContact CG-CG2 4.47Å; Q1015-V1019 WeakPolarHBondContact O-CB 3.45Å; Q1015-V1019 WeakPolarHBondContact O-CG2 3.43Å; Q1015-V1019 PolarHBondContact O-N 3.47Å; I1016-V1019 PolarHBondContact O-N 3.42Å; V1019-L1031 HydrophobicContact CG1-CB 4.28Å; V1019-L1031 HydrophobicContact CG1-CD1 3.83Å; V1019-L1031 HydrophobicContact CG1-CG 3.84Å; V1019-W1036 HydrophobicContact CB-CH2 4.13Å; V1019-W1036 HydrophobicContact CB-CZ2 3.6Å; V1019-W1036 HydrophobicContact CG1-CH2 4.36Å; V1019-W1036 HydrophobicContact CG1-CZ2 3.54Å; V1019-W1036 HydrophobicContact CG2-CH2 4.24Å; V1019-W1036 HydrophobicContact CG2-CZ2 4.18Å
1020	Q	92.1	Very high	88.7	Confident	74 Å²	74	49.7 Å²	49.7	35%	0.346	28%	0.279	S	S	.	.	H	α-helix	trans	-81.6	-32.5	-175.8	-154.1	66.6	33.5	0	0	113.6	I1016 L1031	I1016-Q1020 VanDerWaalsContact O-CB 3.3Å; I1016-Q1020 WeakPolarHBondContact O-CB 3.4Å; I1016-Q1020 PolarHBondContact O-N 2.97Å; Q1020-L1031 PolarHBondContact OE1-O 2.82Å
1021	F	89.6	Confident	88.6	Confident	163 Å²	163	48.1 Å²	48.1	72%	0.715	26%	0.261	S	S	*	.	H	α-helix	trans	-122.3	-9	-172.8	-55.7	-76.3	0	0	0	114.1	I1017 G1023	I1017-F1021 HydrophobicContact CG2-CD2 4.32Å; I1017-F1021 WeakPolarHBondContact O-CA 3.46Å; I1017-F1021 WeakPolarHBondContact O-CB 3.44Å; I1017-F1021 PolarHBondContact O-N 3.44Å; F1021-G1023 VanDerWaalsContact C-N 3.35Å; F1021-G1023 PolarHBondContact O-N 3.32Å
1022	G	80.8	Confident	88.6	Confident	11 Å²	11	51.6 Å²	51.6	11%	0.113	28%	0.283	C	S	.	.			trans	-74.7	-19.2	-175.5	0	0	0	0	0	115	I1018 P1025 F1026	I1018-G1022 WeakPolarHBondContact O-CA 3.47Å; I1018-G1022 PolarHBondContact O-N 2.88Å; G1022-P1025 VanDerWaalsContact O-CD 3.23Å; G1022-P1025 WeakPolarHBondContact O-CD 3.25Å; G1022-F1026 PolarHBondContact O-N 3.39Å
1023	G	82.3	Confident	88.4	Confident	28 Å²	28	54.3 Å²	54.3	29%	0.289	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	46	-136.7	167.6	0	0	0	0	0	115.3	F1021 S1027 C1028	F1021-G1023 VanDerWaalsContact C-N 3.35Å; F1021-G1023 PolarHBondContact O-N 3.32Å; G1023-S1027 PolarHBondContact O-N 2.65Å; G1023-S1027 VanDerWaalsContact O-N 3.13Å; G1023-C1028 CarbonylContact C-O 3.52Å; G1023-C1028 VanDerWaalsContact CA-O 3.3Å; G1023-C1028 WeakPolarHBondContact CA-O 3.49Å; G1023-C1028 PolarHBondContact O-N 2.84Å
1024	K	78.8	Confident	88.3	Confident	118 Å²	118	57.6 Å²	57.6	51%	0.513	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-44.3	179.9	-63	-176.4	179.8	-176	0	113.9	F1026 S1027	K1024-F1026 VanDerWaalsContact C-N 3.33Å; K1024-F1026 PolarHBondContact O-N 3.22Å; K1024-S1027 PolarHBondContact O-N 3.48Å
1025	P	77.9	Confident	88.2	Confident	61 Å²	61	54.9 Å²	54.9	40%	0.396	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-40.3	179.3	-29	33.8	0	0	0	115.4	I151 G1022	I151-P1025 HydrophobicContact CG2-CB 4.49Å; I151-P1025 HydrophobicContact CG2-CG 4.29Å; G1022-P1025 VanDerWaalsContact O-CD 3.23Å; G1022-P1025 WeakPolarHBondContact O-CD 3.25Å
1026	F	80.3	Confident	88.2	Confident	57 Å²	57	56.3 Å²	56.3	25%	0.25	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	2.7	177.3	-75.4	-88.7	0	0	0	113.2	V880 Q881 I1018 G1022 K1024 C1028	V880-F1026 HydrophobicContact CG1-CD1 3.7Å; V880-F1026 HydrophobicContact CG1-CE1 3.88Å; V880-F1026 HydrophobicContact CG1-CG 4.35Å; Q881-F1026 VanDerWaalsContact CG-O 3.31Å; Q881-F1026 WeakPolarHBondContact CG-O 3.46Å; Q881-F1026 PolarHBondContact NE2-O 3.03Å; I1018-F1026 HydrophobicContact CD1-CE1 4.35Å; I1018-F1026 HydrophobicContact CG1-CE1 4.44Å; I1018-F1026 HydrophobicContact CG2-CB 4.04Å; I1018-F1026 HydrophobicContact CG2-CD1 3.73Å; I1018-F1026 HydrophobicContact CG2-CD2 4.44Å; I1018-F1026 HydrophobicContact CG2-CE1 4.3Å; I1018-F1026 HydrophobicContact CG2-CG 3.81Å; G1022-F1026 PolarHBondContact O-N 3.39Å; K1024-F1026 VanDerWaalsContact C-N 3.33Å; K1024-F1026 PolarHBondContact O-N 3.22Å; F1026-C1028 PolarHBondContact O-N 3.29Å; F1026-C1028 PolarHBondContact O-SG 3.42Å; F1026-C1028 VanDerWaalsContact O-SG 3.36Å
1027	S	80.1	Confident	88.2	Confident	41 Å²	41	58.5 Å²	58.5	29%	0.287	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	40.2	-173.4	-59.1	0	0	0	0	112.9	Q881 G1023 K1024	Q881-S1027 PolarHBondContact NE2-O 3.41Å; G1023-S1027 PolarHBondContact O-N 2.65Å; G1023-S1027 VanDerWaalsContact O-N 3.13Å; K1024-S1027 PolarHBondContact O-N 3.48Å
1028	C	87.8	Confident	88.2	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.315	C	S	.	.			trans	-115	140.7	-179.7	-65.3	0	0	0	0	111	T968 G1023 F1026	T968-C1028 HydrophobicContact CG2-CB 4Å; G1023-C1028 CarbonylContact C-O 3.52Å; G1023-C1028 VanDerWaalsContact CA-O 3.3Å; G1023-C1028 WeakPolarHBondContact CA-O 3.49Å; G1023-C1028 PolarHBondContact O-N 2.84Å; F1026-C1028 PolarHBondContact O-N 3.29Å; F1026-C1028 PolarHBondContact O-SG 3.42Å; F1026-C1028 VanDerWaalsContact O-SG 3.36Å
1029	A	88.5	Confident	88.3	Confident	9 Å²	9	60.1 Å²	60.1	7%	0.074	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-101.8	143.1	168.4	0	0	0	0	0	110.1	E965 T968 L1031	E965-A1029 HydrophobicContact CG-CB 3.86Å; T968-A1029 WeakPolarHBondContact CG2-O 3.49Å; T968-A1029 PolarHBondContact OG1-N 2.95Å; A1029-L1031 PolarHBondContact O-N 3.47Å
1030	P	91	Very high	88.4	Confident	74 Å²	74	62.2 Å²	62.2	48%	0.481	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-62.6	125.9	179.6	25.6	-32.9	0	0	0	110.6
1031	L	91.9	Very high	88.5	Confident	6 Å²	6	64.6 Å²	64.6	3%	0.031	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-88.6	149.7	178.9	-63.8	178.4	0	0	0	111.4	T968 I969 N972 V1019 Q1020 A1029 Q1035 W1036	T968-L1031 HydrophobicContact CG2-CD1 4.19Å; T968-L1031 HydrophobicContact CG2-CD2 4.22Å; T968-L1031 HydrophobicContact CG2-CG 4.05Å; I969-L1031 HydrophobicContact CD1-CD2 4.45Å; I969-L1031 HydrophobicContact CG1-CD1 4.34Å; I969-L1031 HydrophobicContact CG1-CD2 3.68Å; N972-L1031 HydrophobicContact CB-CD1 4.18Å; V1019-L1031 HydrophobicContact CG1-CB 4.28Å; V1019-L1031 HydrophobicContact CG1-CD1 3.83Å; V1019-L1031 HydrophobicContact CG1-CG 3.84Å; Q1020-L1031 PolarHBondContact OE1-O 2.82Å; A1029-L1031 PolarHBondContact O-N 3.47Å; L1031-Q1035 HydrophobicContact CB-CB 4.28Å; L1031-Q1035 HydrophobicContact CD2-CB 4.46Å; L1031-W1036 HydrophobicContact CB-CG 4.49Å
1032	T	92.1	Very high	88.7	Confident	76 Å²	76	58.3 Å²	58.3	47%	0.466	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-74.1	160.8	170.2	60.8	0	0	0	0	111.3	D1034 Q1035 W1036	T1032-D1034 PolarHBondContact O-N 3.39Å; T1032-Q1035 PolarHBondContact O-N 2.96Å; T1032-Q1035 VanDerWaalsContact OG1-CD 3.29Å; T1032-Q1035 VanDerWaalsContact OG1-CG 3.3Å; T1032-Q1035 WeakPolarHBondContact OG1-CG 3.45Å; T1032-Q1035 PolarHBondContact OG1-N 3.12Å; T1032-Q1035 PolarHBondContact OG1-OE1 3.09Å; T1032-Q1035 VanDerWaalsContact OG1-OE1 3.07Å; T1032-W1036 PolarHBondContact O-N 3.32Å
1033	I	91.9	Very high	89.3	Confident	132 Å²	132	57.8 Å²	57.8	68%	0.677	30%	0.304	S	S	*	.	H	α-helix	trans	-59.8	-37.9	179.1	-62.2	172.6	0	0	0	111	W1036 L1037	I1033-W1036 WeakPolarHBondContact O-CB 3.41Å; I1033-W1036 PolarHBondContact O-N 3.47Å; I1033-L1037 HydrophobicContact CG2-CD1 4.26Å; I1033-L1037 HydrophobicContact CG2-CG 4.45Å; I1033-L1037 WeakPolarHBondContact O-CG 3.43Å; I1033-L1037 PolarHBondContact O-N 3.27Å
1034	D	91.8	Very high	89.9	Confident	116 Å²	116	60.4 Å²	60.4	62%	0.62	31%	0.31	S	S	*	.	H	α-helix	trans	-65.9	-44.6	179.3	-67.8	-11.4	0	0	0	111.5	T1032 W1036 L1037 W1038	T1032-D1034 PolarHBondContact O-N 3.39Å; D1034-W1036 VanDerWaalsContact C-N 3.3Å; D1034-W1036 PolarHBondContact O-N 3.13Å; D1034-L1037 PolarHBondContact O-N 3.13Å; D1034-W1038 VanDerWaalsContact O-CD1 3.24Å; D1034-W1038 PolarHBondContact O-N 2.93Å
1035	Q	91.1	Very high	90.6	Very high	16 Å²	16	55.7 Å²	55.7	8%	0.075	30%	0.295	C	S	.	.	H	α-helix	trans	-60.6	-40.3	173.7	-72	165.4	-24.9	0	0	111.3	E965 I969 L1031 T1032 W1038 C1039	E965-Q1035 PolarHBondContact OE2-NE2 3.35Å; I969-Q1035 HydrophobicContact CD1-CG 4.15Å; L1031-Q1035 HydrophobicContact CB-CB 4.28Å; L1031-Q1035 HydrophobicContact CD2-CB 4.46Å; T1032-Q1035 PolarHBondContact O-N 2.96Å; T1032-Q1035 VanDerWaalsContact OG1-CD 3.29Å; T1032-Q1035 VanDerWaalsContact OG1-CG 3.3Å; T1032-Q1035 WeakPolarHBondContact OG1-CG 3.45Å; T1032-Q1035 PolarHBondContact OG1-N 3.12Å; T1032-Q1035 PolarHBondContact OG1-OE1 3.09Å; T1032-Q1035 VanDerWaalsContact OG1-OE1 3.07Å; Q1035-W1038 PolarHBondContact O-N 3.28Å; Q1035-C1039 PolarHBondContact O-N 3.35Å; Q1035-C1039 PolarHBondContact O-SG 3Å
1036	W	93.8	Very high	91.3	Very high	30 Å²	30	52.8 Å²	52.8	11%	0.114	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-45.9	174.7	-92.7	108.1	0	0	0	113	N972 M976 Q1015 I1016 V1019 L1031 T1032 I1033 D1034 W1038 C1039 V1040	N972-W1036 WeakPolarHBondContact ND2-CZ3 3.26Å; N972-W1036 WeakPolarHBondContact OD1-CH2 3.47Å; N972-W1036 WeakPolarHBondContact OD1-CZ3 3.26Å; M976-W1036 HydrophobicContact CE-CZ3 3.95Å; Q1015-W1036 HydrophobicContact CG-CH2 4.39Å; I1016-W1036 HydrophobicContact CB-CH2 4.3Å; I1016-W1036 HydrophobicContact CB-CZ2 4.41Å; I1016-W1036 HydrophobicContact CG1-CH2 3.76Å; I1016-W1036 HydrophobicContact CG1-CZ2 4.18Å; I1016-W1036 HydrophobicContact CG1-CZ3 4.12Å; V1019-W1036 HydrophobicContact CB-CH2 4.13Å; V1019-W1036 HydrophobicContact CB-CZ2 3.6Å; V1019-W1036 HydrophobicContact CG1-CH2 4.36Å; V1019-W1036 HydrophobicContact CG1-CZ2 3.54Å; V1019-W1036 HydrophobicContact CG2-CH2 4.24Å; V1019-W1036 HydrophobicContact CG2-CZ2 4.18Å; L1031-W1036 HydrophobicContact CB-CG 4.49Å; T1032-W1036 PolarHBondContact O-N 3.32Å; I1033-W1036 WeakPolarHBondContact O-CB 3.41Å; I1033-W1036 PolarHBondContact O-N 3.47Å; D1034-W1036 VanDerWaalsContact C-N 3.3Å; D1034-W1036 PolarHBondContact O-N 3.13Å; W1036-W1038 VanDerWaalsContact C-N 3.3Å; W1036-W1038 PolarHBondContact O-N 3.08Å; W1036-C1039 WeakPolarHBondContact O-CB 3.29Å; W1036-C1039 PolarHBondContact O-N 2.7Å; W1036-C1039 VanDerWaalsContact O-N 3.15Å; W1036-V1040 WeakPolarHBondContact O-CG2 3.37Å; W1036-V1040 PolarHBondContact O-N 3.2Å
1037	L	94.1	Very high	91.9	Very high	112 Å²	112	51.2 Å²	51.2	59%	0.586	27%	0.27	S	S	*	.	H	α-helix	trans	-61.3	-40.6	177.7	-73.2	173.2	0	0	0	111.2	I1033 D1034 V1040 F1041	I1033-L1037 HydrophobicContact CG2-CD1 4.26Å; I1033-L1037 HydrophobicContact CG2-CG 4.45Å; I1033-L1037 WeakPolarHBondContact O-CG 3.43Å; I1033-L1037 PolarHBondContact O-N 3.27Å; D1034-L1037 PolarHBondContact O-N 3.13Å; L1037-V1040 PolarHBondContact O-N 2.94Å; L1037-F1041 WeakPolarHBondContact O-CB 3.38Å; L1037-F1041 PolarHBondContact O-N 3.41Å
1038	W	92.8	Very high	92.5	Very high	138 Å²	138	55.1 Å²	55.1	52%	0.523	29%	0.287	S	S	.	.	H	α-helix	trans	-63.4	-42.5	172.6	-81.7	112.6	0	0	0	112.6	F949 D1034 Q1035 W1036 V1040 F1041 V1042	F949-W1038 HydrophobicContact CE1-CB 3.76Å; F949-W1038 AromaticContact CE1-CD1 3.93Å; F949-W1038 AromaticContact CE1-CG 3.83Å; F949-W1038 HydrophobicContact CE1-CG 3.83Å; F949-W1038 HydrophobicContact CZ-CB 4.02Å; F949-W1038 HydrophobicContact CZ-CG 4.34Å; D1034-W1038 VanDerWaalsContact O-CD1 3.24Å; D1034-W1038 PolarHBondContact O-N 2.93Å; Q1035-W1038 PolarHBondContact O-N 3.28Å; W1036-W1038 VanDerWaalsContact C-N 3.3Å; W1036-W1038 PolarHBondContact O-N 3.08Å; W1038-V1040 VanDerWaalsContact C-N 3.35Å; W1038-V1040 PolarHBondContact O-N 3.46Å; W1038-F1041 AromaticContact CE3-CD1 3.93Å; W1038-F1041 HydrophobicContact CE3-CD1 3.93Å; W1038-F1041 AromaticContact CZ3-CD1 3.82Å; W1038-F1041 HydrophobicContact CZ3-CD1 3.82Å; W1038-F1041 HydrophobicContact CZ3-CE1 4.05Å; W1038-F1041 PolarHBondContact O-N 3.43Å; W1038-V1042 WeakPolarHBondContact O-CB 3.23Å; W1038-V1042 VanDerWaalsContact O-CG2 3.3Å; W1038-V1042 WeakPolarHBondContact O-CG2 3.35Å; W1038-V1042 PolarHBondContact O-N 3Å
1039	C	93.4	Very high	92.7	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.007	30%	0.304	C	S	.	.	H	α-helix	trans	-59.9	-46.1	177.4	-66.8	0	0	0	0	111.8	N972 V973 Q1035 W1036 G1043	N972-C1039 WeakPolarHBondContact ND2-CB 3.44Å; V973-C1039 HydrophobicContact CG2-CB 3.93Å; Q1035-C1039 PolarHBondContact O-N 3.35Å; Q1035-C1039 PolarHBondContact O-SG 3Å; W1036-C1039 WeakPolarHBondContact O-CB 3.29Å; W1036-C1039 PolarHBondContact O-N 2.7Å; W1036-C1039 VanDerWaalsContact O-N 3.15Å; C1039-G1043 PolarHBondContact O-N 3.46Å
1040	V	94.4	Very high	92.8	Very high	44 Å²	44	59.6 Å²	59.6	27%	0.267	31%	0.305	S	S	.	.	H	α-helix	trans	-67.7	-40.9	178.1	174.2	0	0	0	0	111.2	M976 F980 F1012 W1036 L1037 W1038 G1043 M1044	M976-V1040 HydrophobicContact SD-CG2 4.2Å; F980-V1040 HydrophobicContact CE2-CG1 4.47Å; F980-V1040 HydrophobicContact CZ-CG1 4.35Å; F1012-V1040 HydrophobicContact CE2-CG2 4.27Å; W1036-V1040 WeakPolarHBondContact O-CG2 3.37Å; W1036-V1040 PolarHBondContact O-N 3.2Å; L1037-V1040 PolarHBondContact O-N 2.94Å; W1038-V1040 VanDerWaalsContact C-N 3.35Å; W1038-V1040 PolarHBondContact O-N 3.46Å; V1040-G1043 PolarHBondContact O-N 3.4Å; V1040-M1044 WeakPolarHBondContact O-CB 3.33Å; V1040-M1044 PolarHBondContact O-N 2.96Å
1041	F	94.6	Very high	92.8	Very high	123 Å²	123	59.1 Å²	59.1	54%	0.539	30%	0.296	S	S	.	.	H	α-helix	trans	-61.4	-47	178.1	176.8	-101.5	0	0	0	111.9	L1037 W1038 G1043 M1044 G1045	L1037-F1041 WeakPolarHBondContact O-CB 3.38Å; L1037-F1041 PolarHBondContact O-N 3.41Å; W1038-F1041 AromaticContact CE3-CD1 3.93Å; W1038-F1041 HydrophobicContact CE3-CD1 3.93Å; W1038-F1041 AromaticContact CZ3-CD1 3.82Å; W1038-F1041 HydrophobicContact CZ3-CD1 3.82Å; W1038-F1041 HydrophobicContact CZ3-CE1 4.05Å; W1038-F1041 PolarHBondContact O-N 3.43Å; F1041-G1043 VanDerWaalsContact C-N 3.34Å; F1041-M1044 HydrophobicContact CD2-CE 4.1Å; F1041-M1044 HydrophobicContact CE2-CE 4.48Å; F1041-M1044 PolarHBondContact O-N 3.41Å; F1041-G1045 PolarHBondContact O-N 3.25Å
1042	V	93.3	Very high	92.7	Very high	32 Å²	32	63 Å²	63	19%	0.194	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-43	175.5	173.9	0	0	0	0	110.5	I937 V973 W1038 M1044 G1045	I937-V1042 HydrophobicContact CD1-CG1 4.47Å; I937-V1042 HydrophobicContact CG2-CG1 3.51Å; V973-V1042 HydrophobicContact CG1-CB 4.44Å; V973-V1042 HydrophobicContact CG1-CG1 3.77Å; W1038-V1042 WeakPolarHBondContact O-CB 3.23Å; W1038-V1042 VanDerWaalsContact O-CG2 3.3Å; W1038-V1042 WeakPolarHBondContact O-CG2 3.35Å; W1038-V1042 PolarHBondContact O-N 3Å; V1042-M1044 VanDerWaalsContact C-N 3.35Å; V1042-M1044 PolarHBondContact O-N 2.94Å; V1042-G1045 WeakPolarHBondContact O-CA 3.2Å; V1042-G1045 PolarHBondContact O-N 3Å
1043	G	93.3	Very high	92.6	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-56.9	-44.6	173.7	0	0	0	0	0	113	F980 C1039 V1040 F1041 G1045 E1046	F980-G1043 VanDerWaalsContact CD2-O 3.24Å; F980-G1043 WeakPolarHBondContact CD2-O 3.28Å; C1039-G1043 PolarHBondContact O-N 3.46Å; V1040-G1043 PolarHBondContact O-N 3.4Å; F1041-G1043 VanDerWaalsContact C-N 3.34Å; G1043-G1045 PolarHBondContact O-N 3.37Å; G1043-E1046 WeakPolarHBondContact O-CB 3.31Å; G1043-E1046 PolarHBondContact O-N 3.5Å
1044	M	94.4	Very high	92.3	Very high	83 Å²	83	54.7 Å²	54.7	41%	0.409	27%	0.273	S	S	.	.	H	α-helix	trans	-63	-24.6	177.3	-174.1	175.7	62	0	0	112.2	F980 V1040 F1041 V1042 E1046 L1047	F980-M1044 HydrophobicContact CE2-CB 4.39Å; F980-M1044 HydrophobicContact CZ-CB 4.43Å; V1040-M1044 WeakPolarHBondContact O-CB 3.33Å; V1040-M1044 PolarHBondContact O-N 2.96Å; F1041-M1044 HydrophobicContact CD2-CE 4.1Å; F1041-M1044 HydrophobicContact CE2-CE 4.48Å; F1041-M1044 PolarHBondContact O-N 3.41Å; V1042-M1044 VanDerWaalsContact C-N 3.35Å; V1042-M1044 PolarHBondContact O-N 2.94Å; M1044-E1046 PolarHBondContact O-N 2.93Å; M1044-L1047 HydrophobicContact CG-CD1 4.41Å; M1044-L1047 WeakPolarHBondContact O-CB 3.26Å; M1044-L1047 PolarHBondContact O-N 3.29Å
1045	G	94.4	Very high	92	Very high	19 Å²	19	51.7 Å²	51.7	20%	0.196	26%	0.264	C	S	.	.	H	α-helix	trans	-53.8	-31.6	169.6	0	0	0	0	0	113.2	F1041 V1042 G1043 L1047 L1048 W1049	F1041-G1045 PolarHBondContact O-N 3.25Å; V1042-G1045 WeakPolarHBondContact O-CA 3.2Å; V1042-G1045 PolarHBondContact O-N 3Å; G1043-G1045 PolarHBondContact O-N 3.37Å; G1045-L1047 VanDerWaalsContact C-N 3.32Å; G1045-L1047 PolarHBondContact O-N 2.73Å; G1045-L1048 PolarHBondContact O-N 3.4Å; G1045-W1049 WeakPolarHBondContact O-CB 3.27Å; G1045-W1049 PolarHBondContact O-N 3.42Å
1046	E	93.3	Very high	91.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-38.4	176	-170	70.8	179.9	0	0	112.3	H930 F933 Q934 F980 N981 N984 G1043 M1044 W1049 G1050	H930-E1046 IonicContact CE1-OE1 3.44Å; H930-E1046 IonicContact CG-OE1 2.7Å; H930-E1046 IonicContact ND1-OE1 3.54Å; H930-E1046 PolarHBondContact ND1-OE1 3.12Å; F933-E1046 WeakPolarHBondContact CD1-OE2 3.49Å; F933-E1046 WeakPolarHBondContact CE1-OE2 3.4Å; Q934-E1046 PolarHBondContact NE2-OE1 2.88Å; F980-E1046 HydrophobicContact CB-CB 4.15Å; N981-E1046 HydrophobicContact CB-CG 3.92Å; N984-E1046 PolarHBondContact ND2-O 3.22Å; G1043-E1046 WeakPolarHBondContact O-CB 3.31Å; G1043-E1046 PolarHBondContact O-N 3.5Å; M1044-E1046 PolarHBondContact O-N 2.93Å; E1046-W1049 PolarHBondContact O-N 3.42Å; E1046-G1050 PolarHBondContact O-N 2.88Å
1047	L	91.9	Very high	90.9	Very high	23 Å²	23	55.9 Å²	55.9	12%	0.12	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-44.1	176.6	-65.7	179.1	0	0	0	111.2	F980 I983 F995 M1044 G1045 G1050 Q1051	F980-L1047 HydrophobicContact CB-CD2 4.06Å; F980-L1047 HydrophobicContact CB-CG 3.96Å; F980-L1047 HydrophobicContact CD1-CD1 3.62Å; F980-L1047 HydrophobicContact CD1-CD2 4.27Å; F980-L1047 HydrophobicContact CD1-CG 3.87Å; F980-L1047 HydrophobicContact CE1-CD1 4.12Å; F980-L1047 HydrophobicContact CG-CD1 4.38Å; F980-L1047 HydrophobicContact CG-CG 4.18Å; F980-L1047 VanDerWaalsContact O-CD2 3.29Å; F980-L1047 WeakPolarHBondContact O-CD2 3.25Å; I983-L1047 HydrophobicContact CB-CD2 4.11Å; I983-L1047 HydrophobicContact CG2-CD2 4.22Å; F995-L1047 HydrophobicContact CZ-CD1 4.15Å; M1044-L1047 HydrophobicContact CG-CD1 4.41Å; M1044-L1047 WeakPolarHBondContact O-CB 3.26Å; M1044-L1047 PolarHBondContact O-N 3.29Å; G1045-L1047 VanDerWaalsContact C-N 3.32Å; G1045-L1047 PolarHBondContact O-N 2.73Å; L1047-G1050 PolarHBondContact O-N 3.21Å; L1047-Q1051 PolarHBondContact O-N 3.43Å
1048	L	92	Very high	89.7	Confident	124 Å²	124	53.4 Å²	53.4	65%	0.649	28%	0.281	S	S	*	.	H	α-helix	trans	-68.6	-41.3	179.2	-63.9	177.2	0	0	0	111.2	G1045 G1050 Q1051 L1052	G1045-L1048 PolarHBondContact O-N 3.4Å; L1048-G1050 VanDerWaalsContact C-N 3.33Å; L1048-G1050 PolarHBondContact O-N 3.37Å; L1048-Q1051 WeakPolarHBondContact O-CB 3.49Å; L1048-Q1051 PolarHBondContact O-N 3.43Å; L1048-L1052 PolarHBondContact O-N 2.97Å
1049	W	93.4	Very high	88.5	Confident	93 Å²	93	53.1 Å²	53.1	35%	0.352	29%	0.285	S	S	.	.	H	α-helix	trans	-64.2	-38.7	177.4	-166.3	-106.2	0	0	0	112.1	G929 F933 G1045 E1046 Q1051 L1052 I1053	G929-W1049 PolarHBondContact O-NE1 2.97Å; F933-W1049 VanDerWaalsContact CB-CD1 3.46Å; F933-W1049 HydrophobicContact CB-CD2 4.37Å; F933-W1049 HydrophobicContact CB-CG 4.04Å; F933-W1049 HydrophobicContact CD2-CB 4.04Å; F933-W1049 AromaticContact CD2-CD1 3.92Å; F933-W1049 AromaticContact CD2-CD2 3.59Å; F933-W1049 HydrophobicContact CD2-CD2 3.59Å; F933-W1049 AromaticContact CD2-CE2 3.98Å; F933-W1049 AromaticContact CD2-CE3 3.99Å; F933-W1049 HydrophobicContact CD2-CE3 3.99Å; F933-W1049 AromaticContact CD2-CG 3.59Å; F933-W1049 HydrophobicContact CD2-CG 3.59Å; F933-W1049 HydrophobicContact CE2-CB 4.17Å; F933-W1049 HydrophobicContact CE2-CD2 4.23Å; F933-W1049 HydrophobicContact CE2-CE3 4.29Å; F933-W1049 HydrophobicContact CE2-CG 4.17Å; F933-W1049 HydrophobicContact CG-CB 4.27Å; F933-W1049 AromaticContact CG-CD1 3.74Å; F933-W1049 HydrophobicContact CG-CD2 4.22Å; F933-W1049 AromaticContact CG-CG 3.83Å; F933-W1049 HydrophobicContact CG-CG 3.83Å; G1045-W1049 WeakPolarHBondContact O-CB 3.27Å; G1045-W1049 PolarHBondContact O-N 3.42Å; E1046-W1049 PolarHBondContact O-N 3.42Å; W1049-Q1051 VanDerWaalsContact C-N 3.27Å; W1049-Q1051 PolarHBondContact O-N 2.82Å; W1049-L1052 HydrophobicContact CD2-CD2 4.22Å; W1049-L1052 HydrophobicContact CE3-CD2 3.73Å; W1049-L1052 HydrophobicContact CH2-CD2 3.65Å; W1049-L1052 HydrophobicContact CZ2-CD2 4.14Å; W1049-L1052 HydrophobicContact CZ3-CD2 3.43Å; W1049-L1052 VanDerWaalsContact CZ3-CD2 3.43Å; W1049-L1052 WeakPolarHBondContact O-CA 3.27Å; W1049-L1052 VanDerWaalsContact O-CB 3.31Å; W1049-L1052 WeakPolarHBondContact O-CB 3.33Å; W1049-L1052 PolarHBondContact O-N 2.98Å; W1049-I1053 VanDerWaalsContact CD1-CD1 3.48Å; W1049-I1053 HydrophobicContact CG-CD1 4.48Å; W1049-I1053 WeakPolarHBondContact O-CG1 3.05Å; W1049-I1053 PolarHBondContact O-N 3.24Å
1050	G	90.4	Very high	87.1	Confident	9 Å²	9	59.1 Å²	59.1	9%	0.093	31%	0.313	C	S	.	.	H	α-helix	trans	-55.7	-40.2	172.2	0	0	0	0	0	113	E1046 L1047 L1048 L1052 I1053 S1054	E1046-G1050 PolarHBondContact O-N 2.88Å; L1047-G1050 PolarHBondContact O-N 3.21Å; L1048-G1050 VanDerWaalsContact C-N 3.33Å; L1048-G1050 PolarHBondContact O-N 3.37Å; G1050-L1052 PolarHBondContact O-N 3.48Å; G1050-I1053 PolarHBondContact O-N 3.01Å; G1050-S1054 PolarHBondContact O-N 3.49Å
1051	Q	90.6	Very high	85.8	Confident	65 Å²	65	59.2 Å²	59.2	30%	0.304	31%	0.311	S	S	.	.	H	α-helix	trans	-64.8	-39.3	174.7	-63.5	-58.9	-47.7	0	0	112.1	R992 L1047 L1048 W1049 S1054 A1055	R992-Q1051 PolarHBondContact O-NE2 2.94Å; R992-Q1051 PolarHBondContact O-OE1 3.45Å; L1047-Q1051 PolarHBondContact O-N 3.43Å; L1048-Q1051 WeakPolarHBondContact O-CB 3.49Å; L1048-Q1051 PolarHBondContact O-N 3.43Å; W1049-Q1051 VanDerWaalsContact C-N 3.27Å; W1049-Q1051 PolarHBondContact O-N 2.82Å; Q1051-S1054 PolarHBondContact O-N 3.33Å; Q1051-S1054 PolarHBondContact O-OG 3.48Å; Q1051-A1055 PolarHBondContact O-N 3.36Å; Q1051-A1055 VanDerWaalsContact O-N 3.15Å
1052	L	90.4	Very high	84.1	Confident	87 Å²	87	61.8 Å²	61.8	46%	0.455	32%	0.322	S	S	.	.	H	α-helix	trans	-62.5	-46.6	174.9	-168.1	82.7	0	0	0	111.5	L1048 W1049 G1050 S1054 A1055 I1056	L1048-L1052 PolarHBondContact O-N 2.97Å; W1049-L1052 HydrophobicContact CD2-CD2 4.22Å; W1049-L1052 HydrophobicContact CE3-CD2 3.73Å; W1049-L1052 HydrophobicContact CH2-CD2 3.65Å; W1049-L1052 HydrophobicContact CZ2-CD2 4.14Å; W1049-L1052 HydrophobicContact CZ3-CD2 3.43Å; W1049-L1052 VanDerWaalsContact CZ3-CD2 3.43Å; W1049-L1052 WeakPolarHBondContact O-CA 3.27Å; W1049-L1052 VanDerWaalsContact O-CB 3.31Å; W1049-L1052 WeakPolarHBondContact O-CB 3.33Å; W1049-L1052 PolarHBondContact O-N 2.98Å; G1050-L1052 PolarHBondContact O-N 3.48Å; L1052-S1054 VanDerWaalsContact C-N 3.25Å; L1052-S1054 PolarHBondContact O-N 3.31Å; L1052-A1055 WeakPolarHBondContact O-CB 3.35Å; L1052-A1055 PolarHBondContact O-N 3.46Å; L1052-I1056 PolarHBondContact O-N 3.03Å
1053	I	89.4	Confident	82.7	Confident	9 Å²	9	66.1 Å²	66.1	5%	0.046	34%	0.339	C	S	.	.	H	α-helix	trans	-59.5	-40.4	177	-63.6	163.7	0	0	0	110.4	K925 G929 W1049 G1050 A1055 I1056	K925-I1053 HydrophobicContact CD-CG2 4.21Å; K925-I1053 HydrophobicContact CG-CG2 4.05Å; K925-I1053 PolarHBondContact NZ-O 2.94Å; G929-I1053 VanDerWaalsContact C-CD1 3.44Å; W1049-I1053 VanDerWaalsContact CD1-CD1 3.48Å; W1049-I1053 HydrophobicContact CG-CD1 4.48Å; W1049-I1053 WeakPolarHBondContact O-CG1 3.05Å; W1049-I1053 PolarHBondContact O-N 3.24Å; G1050-I1053 PolarHBondContact O-N 3.01Å; I1053-A1055 VanDerWaalsContact C-N 3.26Å; I1053-A1055 PolarHBondContact O-N 2.97Å; I1053-I1056 PolarHBondContact O-N 3.43Å
1054	S	85.3	Confident	81	Confident	25 Å²	25	66.4 Å²	66.4	18%	0.175	34%	0.341	C	S	.	.	H	α-helix	trans	-62.4	-32.8	177.5	85.1	0	0	0	0	112.7	G1050 Q1051 L1052 I1056	G1050-S1054 PolarHBondContact O-N 3.49Å; Q1051-S1054 PolarHBondContact O-N 3.33Å; Q1051-S1054 PolarHBondContact O-OG 3.48Å; L1052-S1054 VanDerWaalsContact C-N 3.25Å; L1052-S1054 PolarHBondContact O-N 3.31Å; S1054-I1056 VanDerWaalsContact C-N 3.32Å; S1054-I1056 PolarHBondContact O-N 2.94Å
1055	A	85.5	Confident	79	Confident	53 Å²	53	68.9 Å²	68.9	44%	0.438	35%	0.349	S	S	.	.	H	α-helix	trans	-72.5	-24.1	180	0	0	0	0	0	113.2	Q1051 L1052 I1053 P1057	Q1051-A1055 PolarHBondContact O-N 3.36Å; Q1051-A1055 VanDerWaalsContact O-N 3.15Å; L1052-A1055 WeakPolarHBondContact O-CB 3.35Å; L1052-A1055 PolarHBondContact O-N 3.46Å; I1053-A1055 VanDerWaalsContact C-N 3.26Å; I1053-A1055 PolarHBondContact O-N 2.97Å; A1055-P1057 VanDerWaalsContact O-CD 3.3Å; A1055-P1057 WeakPolarHBondContact O-CD 3.47Å
1056	I	83.6	Confident	76.8	Confident	76 Å²	76	75.8 Å²	75.8	39%	0.39	38%	0.376	S	S	.	.	S	Bend	trans	-80.7	117.1	-179	-59.5	169.4	0	0	0	110.1	K925 L1052 I1053 S1054 L1061	K925-I1056 PolarHBondContact NZ-O 3.4Å; L1052-I1056 PolarHBondContact O-N 3.03Å; I1053-I1056 PolarHBondContact O-N 3.43Å; S1054-I1056 VanDerWaalsContact C-N 3.32Å; S1054-I1056 PolarHBondContact O-N 2.94Å; I1056-L1061 HydrophobicContact CG2-CD1 4.42Å
1057	P	77.6	Confident	74.4	Confident	58 Å²	58	78.8 Å²	78.8	38%	0.377	40%	0.401	S	S	.	.			trans	-68.2	142.9	177.4	-15.2	27.8	0	0	0	111.9	A1055 H1059 H1060	A1055-P1057 VanDerWaalsContact O-CD 3.3Å; A1055-P1057 WeakPolarHBondContact O-CD 3.47Å; P1057-H1059 WeakPolarHBondContact CB-ND1 3.44Å; P1057-H1059 PolarHBondContact O-N 2.98Å; P1057-H1060 PolarHBondContact O-N 3.37Å
1058	T	70.6	Confident	72	Confident	60 Å²	60	78.8 Å²	78.8	37%	0.368	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-64	-23.2	178.5	48.8	0	0	0	0	113.8	T922 K925 H1060 L1061	T922-T1058 HydrophobicContact CG2-CG2 3.79Å; K925-T1058 HydrophobicContact CD-CG2 4.32Å; T1058-H1060 PolarHBondContact O-N 2.83Å; T1058-L1061 PolarHBondContact O-N 3.35Å
1059	H	67.1	Low	69.5	Low	131 Å²	131	78.6 Å²	78.6	61%	0.606	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-67.9	-21.8	-179.1	79.2	-94.8	0	0	0	113.7	P1057	P1057-H1059 WeakPolarHBondContact CB-ND1 3.44Å; P1057-H1059 PolarHBondContact O-N 2.98Å
1060	H	63.3	Low	66.9	Low	127 Å²	127	77 Å²	77	59%	0.588	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-80.3	-18.1	176.5	-71.2	-77.4	0	0	0	113.1	P1057 T1058 K1062	P1057-H1060 PolarHBondContact O-N 3.37Å; T1058-H1060 PolarHBondContact O-N 2.83Å; H1060-K1062 PolarHBondContact O-N 3.48Å
1061	L	67.2	Low	64	Low	46 Å²	46	83.9 Å²	83.9	24%	0.241	45%	0.447	C	S	.	.			trans	-96.9	75.2	-176	-61.3	169.6	0	0	0	110.3	K925 I1056 T1058 F1063 L1064	K925-L1061 HydrophobicContact CD-CD1 3.85Å; K925-L1061 HydrophobicContact CG-CD1 3.78Å; I1056-L1061 HydrophobicContact CG2-CD1 4.42Å; T1058-L1061 PolarHBondContact O-N 3.35Å; L1061-F1063 VanDerWaalsContact C-N 3.26Å; L1061-F1063 HydrophobicContact CB-CD1 4.5Å; L1061-F1063 HydrophobicContact CB-CE1 4.25Å; L1061-F1063 HydrophobicContact CD2-CE1 3.88Å; L1061-F1063 PolarHBondContact O-N 2.95Å; L1061-L1064 HydrophobicContact CB-CB 4.41Å; L1061-L1064 HydrophobicContact CB-CD1 3.71Å; L1061-L1064 HydrophobicContact CB-CG 4.1Å; L1061-L1064 HydrophobicContact CD1-CD1 3.6Å; L1061-L1064 HydrophobicContact CG-CD1 4.28Å; L1061-L1064 PolarHBondContact O-N 3.35Å
1062	K	58.9	Low	61.1	Low	177 Å²	177	85.4 Å²	85.4	77%	0.77	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-30.9	-177.7	-71.5	-177.5	-179.4	177.7	0	113.6	H1060 L1064 K1065	H1060-K1062 PolarHBondContact O-N 3.48Å; K1062-L1064 VanDerWaalsContact C-N 3.27Å; K1062-L1064 PolarHBondContact O-N 3Å; K1062-K1065 WeakPolarHBondContact O-CB 3.39Å; K1062-K1065 PolarHBondContact O-N 3.36Å
1063	F	63.6	Low	58.4	Low	123 Å²	123	89.6 Å²	89.6	54%	0.539	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-28.3	178.3	79.9	-94.7	0	0	0	113.1	L928 L1061 K1065 E1066	L928-F1063 HydrophobicContact CD1-CE2 4.12Å; L1061-F1063 VanDerWaalsContact C-N 3.26Å; L1061-F1063 HydrophobicContact CB-CD1 4.5Å; L1061-F1063 HydrophobicContact CB-CE1 4.25Å; L1061-F1063 HydrophobicContact CD2-CE1 3.88Å; L1061-F1063 PolarHBondContact O-N 2.95Å; F1063-K1065 PolarHBondContact O-N 2.91Å; F1063-E1066 PolarHBondContact O-N 3.48Å
1064	L	58.8	Low	55.6	Low	7 Å²	7	97.8 Å²	97.8	4%	0.037	51%	0.514	C	S	.	.	H	α-helix	trans	-72.7	-9.4	174.9	-67.9	176.9	0	0	0	112.7	M924 K925 L928 L1061 K1062 G1068	M924-L1064 HydrophobicContact CB-CD2 4.39Å; M924-L1064 HydrophobicContact CG-CD2 3.71Å; K925-L1064 HydrophobicContact CB-CD1 3.89Å; K925-L1064 HydrophobicContact CG-CD1 4.43Å; L928-L1064 HydrophobicContact CD1-CD2 4.01Å; L1061-L1064 HydrophobicContact CB-CB 4.41Å; L1061-L1064 HydrophobicContact CB-CD1 3.71Å; L1061-L1064 HydrophobicContact CB-CG 4.1Å; L1061-L1064 HydrophobicContact CD1-CD1 3.6Å; L1061-L1064 HydrophobicContact CG-CD1 4.28Å; L1061-L1064 PolarHBondContact O-N 3.35Å; K1062-L1064 VanDerWaalsContact C-N 3.27Å; K1062-L1064 PolarHBondContact O-N 3Å; L1064-G1068 PolarHBondContact O-N 3.11Å
1065	K	51.5	Low	53.1	Low	134 Å²	134	105.7 Å²	105.7	58%	0.583	55%	0.548	S	S	*	.	H	α-helix	trans	-72.4	-33.4	177.8	-154.6	178.1	-179.2	-171.8	0	111.3	K1062 F1063	K1062-K1065 WeakPolarHBondContact O-CB 3.39Å; K1062-K1065 PolarHBondContact O-N 3.36Å; F1063-K1065 PolarHBondContact O-N 2.91Å
1066	E	48.7	Very low	50.4	Low	164 Å²	164	108.1 Å²	108.1	77%	0.766	55%	0.553	S	S	*	*	H	α-helix	trans	-83.2	-43.6	176.4	-73.6	168	-175.1	0	0	111.9	F1063 G1068 H1069	F1063-E1066 PolarHBondContact O-N 3.48Å; E1066-G1068 PolarHBondContact O-N 3.19Å; E1066-G1068 VanDerWaalsContact O-N 3.14Å; E1066-H1069 PolarHBondContact O-N 3.45Å
1067	A	43.6	Very low	47.8	Very low	64 Å²	64	113.1 Å²	113.1	53%	0.529	57%	0.574	S	S	.	*	H	α-helix	trans	-67.6	-13.4	-179.9	0	0	0	0	0	114.8
1068	G	39.8	Very low	45.6	Very low	23 Å²	23	120.1 Å²	120.1	24%	0.237	60%	0.598	C	S	.	*	T	Hydrogen-bonded Turn	trans	-103.3	6.5	178.2	0	0	0	0	0	114.7	L1064 E1066	L1064-G1068 PolarHBondContact O-N 3.11Å; E1066-G1068 PolarHBondContact O-N 3.19Å; E1066-G1068 VanDerWaalsContact O-N 3.14Å
1069	H	39.4	Very low	43.6	Very low	120 Å²	120	125.3 Å²	125.3	56%	0.556	62%	0.619	S	S	*	*			trans	-87.4	110.6	167.7	-83.4	-6.2	0	0	0	108.9	E1066	E1066-H1069 PolarHBondContact O-N 3.45Å
1070	G	38.9	Very low	41.8	Very low	58 Å²	58	123.4 Å²	123.4	60%	0.598	61%	0.61	S	S	*	*			trans	-56.6	150.2	147.3	0	0	0	0	0	108.3	T1072	G1070-T1072 PolarHBondContact O-N 3.25Å
1071	I	31.4	Very low	40.5	Very low	155 Å²	155	125 Å²	125	80%	0.795	62%	0.622	S	S	*	*	S	Bend	trans	-35.1	124.1	-176.3	-54.3	166.1	0	0	0	110.5
1072	T	27.9	Very low	38.8	Very low	96 Å²	96	127.9 Å²	127.9	59%	0.589	64%	0.641	S	S	*	*			trans	-57.6	136.8	-174.5	-4.1	0	0	0	0	111.2	G1070 E1074	G1070-T1072 PolarHBondContact O-N 3.25Å; T1072-E1074 PolarHBondContact O-N 3.18Å
1073	K	33.7	Very low	37.6	Very low	175 Å²	175	123.7 Å²	123.7	76%	0.761	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	14.7	-176.2	-125.1	179.5	-176.3	-177.7	0	115.5
1074	E	31.5	Very low	36.4	Very low	182 Å²	182	122.9 Å²	122.9	85%	0.85	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-0.3	-171.1	-71.7	-170.2	167.1	0	0	115	T1072	T1072-E1074 PolarHBondContact O-N 3.18Å
1075	E	31.8	Very low	35.3	Very low	190 Å²	190	126.9 Å²	126.9	89%	0.888	65%	0.651	S	S	*	*	S	Bend	trans	-131.1	39	174.4	-75.2	-171.8	156.4	0	0	113.8
1076	I	30.3	Very low	34.5	Very low	105 Å²	105	125.3 Å²	125.3	54%	0.538	65%	0.649	S	S	.	*			trans	-114.1	102.5	172.3	-60.5	170.6	0	0	0	109.4	E1080	I1076-E1080 HydrophobicContact CG2-CB 4.49Å; I1076-E1080 HydrophobicContact CG2-CG 4.35Å; I1076-E1080 VanDerWaalsContact CG2-OE2 3.29Å; I1076-E1080 WeakPolarHBondContact CG2-OE2 3.31Å
1077	H	27.8	Very low	34.1	Very low	180 Å²	180	122.4 Å²	122.4	83%	0.833	64%	0.635	S	S	*	*			trans	-67.6	144.5	166.1	-104.3	-71	0	0	0	109.9	E1079	H1077-E1079 PolarHBondContact O-N 3.43Å
1078	K	32	Very low	34.1	Very low	205 Å²	205	122.1 Å²	122.1	89%	0.891	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	23.1	-163.3	-105.6	179.4	178.7	-180	0	117.7
1079	E	28.2	Very low	34	Very low	170 Å²	170	124.1 Å²	124.1	79%	0.794	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-6.8	179.4	-75.7	-178.3	158	0	0	114.7	H1077 L1081	H1077-E1079 PolarHBondContact O-N 3.43Å; E1079-L1081 PolarHBondContact O-N 2.93Å
1080	E	30.2	Very low	34	Very low	90 Å²	90	123.9 Å²	123.9	42%	0.421	63%	0.628	S	S	.	*	G	3₁₀ helix	trans	-85.6	1.3	-169.3	-56.5	-170.2	154.9	0	0	116.6	I1076 T1082 E1083	I1076-E1080 HydrophobicContact CG2-CB 4.49Å; I1076-E1080 HydrophobicContact CG2-CG 4.35Å; I1076-E1080 VanDerWaalsContact CG2-OE2 3.29Å; I1076-E1080 WeakPolarHBondContact CG2-OE2 3.31Å; E1080-T1082 PolarHBondContact O-N 3.14Å; E1080-T1082 VanDerWaalsContact O-N 3.16Å; E1080-E1083 HydrophobicContact CB-CB 4.41Å; E1080-E1083 VanDerWaalsContact CG-OE2 3.31Å; E1080-E1083 WeakPolarHBondContact CG-OE2 3.47Å; E1080-E1083 WeakPolarHBondContact O-CB 3.38Å; E1080-E1083 PolarHBondContact O-N 3.43Å
1081	L	35	Very low	34.1	Very low	162 Å²	162	122.7 Å²	122.7	85%	0.848	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-70.2	-12.8	-177.3	-93.1	146.3	0	0	0	114.4	E1079	E1079-L1081 PolarHBondContact O-N 2.93Å
1082	T	31.8	Very low	34.5	Very low	105 Å²	105	118.6 Å²	118.6	64%	0.644	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-95.1	-9	168.4	41.7	0	0	0	0	113.4	E1080 T1085	E1080-T1082 PolarHBondContact O-N 3.14Å; E1080-T1082 VanDerWaalsContact O-N 3.16Å; T1082-T1085 PolarHBondContact O-OG1 3Å
1083	E	33	Very low	35.3	Very low	90 Å²	90	120.1 Å²	120.1	42%	0.421	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.9	-18.3	-172.6	-68.4	-172.9	154.2	0	0	114.1	E1080 T1085 D1086 E1087	E1080-E1083 HydrophobicContact CB-CB 4.41Å; E1080-E1083 VanDerWaalsContact CG-OE2 3.31Å; E1080-E1083 WeakPolarHBondContact CG-OE2 3.47Å; E1080-E1083 WeakPolarHBondContact O-CB 3.38Å; E1080-E1083 PolarHBondContact O-N 3.43Å; E1083-T1085 PolarHBondContact O-N 3.17Å; E1083-D1086 CarbonylContact O-C 3.56Å; E1083-D1086 WeakPolarHBondContact O-CA 3.32Å; E1083-D1086 PolarHBondContact O-N 3.33Å; E1083-E1087 PolarHBondContact O-N 3.46Å
1084	D	38.4	Very low	35.8	Very low	106 Å²	106	116.9 Å²	116.9	57%	0.567	58%	0.58	S	S	*	*	H	α-helix	trans	-60.2	-30.3	178.2	-90.4	-26.3	0	0	0	113.2	I1088	D1084-I1088 VanDerWaalsContact O-CD1 3.28Å; D1084-I1088 WeakPolarHBondContact O-CD1 3.14Å; D1084-I1088 VanDerWaalsContact O-CG1 3.28Å; D1084-I1088 WeakPolarHBondContact O-CG1 3.45Å
1085	T	36.7	Very low	36.3	Very low	91 Å²	91	113.1 Å²	113.1	56%	0.558	57%	0.565	S	S	*	*	H	α-helix	trans	-76.8	-32.4	172.5	28.4	0	0	0	0	112.8	T1082 E1083 D1089	T1082-T1085 PolarHBondContact O-OG1 3Å; E1083-T1085 PolarHBondContact O-N 3.17Å; T1085-D1089 PolarHBondContact O-N 2.92Å
1086	D	34.3	Very low	36.9	Very low	101 Å²	101	111.2 Å²	111.2	54%	0.54	55%	0.55	S	S	.	.	H	α-helix	trans	-80.8	-33.4	-178.2	-73.1	-22.9	0	0	0	111.7	E1083 I1088 D1089 H1090	E1083-D1086 CarbonylContact O-C 3.56Å; E1083-D1086 WeakPolarHBondContact O-CA 3.32Å; E1083-D1086 PolarHBondContact O-N 3.33Å; D1086-I1088 VanDerWaalsContact C-N 3.33Å; D1086-I1088 PolarHBondContact O-N 3Å; D1086-D1089 PolarHBondContact O-N 3.1Å; D1086-H1090 WeakPolarHBondContact O-CB 3.49Å; D1086-H1090 PolarHBondContact O-N 2.85Å
1087	E	40.2	Very low	37.3	Very low	102 Å²	102	114.5 Å²	114.5	48%	0.477	56%	0.555	S	S	.	*	H	α-helix	trans	-63.1	-36	172	-78.9	-158.3	148.5	0	0	112.5	E1083 H1090 A1091	E1083-E1087 PolarHBondContact O-N 3.46Å; E1087-H1090 PolarHBondContact O-N 3.4Å; E1087-A1091 PolarHBondContact O-N 3.34Å
1088	I	42.9	Very low	38.1	Very low	59 Å²	59	107.9 Å²	107.9	30%	0.303	54%	0.535	S	S	.	.	H	α-helix	trans	-68.1	-44.1	176.9	-65.6	168.6	0	0	0	110.4	D1084 D1086 H1090 A1091 E1092	D1084-I1088 VanDerWaalsContact O-CD1 3.28Å; D1084-I1088 WeakPolarHBondContact O-CD1 3.14Å; D1084-I1088 VanDerWaalsContact O-CG1 3.28Å; D1084-I1088 WeakPolarHBondContact O-CG1 3.45Å; D1086-I1088 VanDerWaalsContact C-N 3.33Å; D1086-I1088 PolarHBondContact O-N 3Å; I1088-H1090 VanDerWaalsContact C-N 3.27Å; I1088-H1090 PolarHBondContact O-N 3.27Å; I1088-A1091 PolarHBondContact O-N 3.31Å; I1088-E1092 PolarHBondContact O-N 2.81Å; I1088-E1092 VanDerWaalsContact O-N 3.14Å
1089	D	38.6	Very low	38.4	Very low	65 Å²	65	102.6 Å²	102.6	35%	0.348	51%	0.514	S	S	.	.	H	α-helix	trans	-65.6	-32.3	173.7	-100.3	6.4	0	0	0	110.6	K351 T1085 D1086 M1093	K351-D1089 IonicContact NZ-OD1 3.22Å; K351-D1089 IonicContact NZ-OD2 2.7Å; K351-D1089 PolarHBondContact NZ-OD2 3.01Å; T1085-D1089 PolarHBondContact O-N 2.92Å; D1086-D1089 PolarHBondContact O-N 3.1Å; D1089-M1093 VanDerWaalsContact O-CB 3.27Å; D1089-M1093 WeakPolarHBondContact O-CB 3.29Å; D1089-M1093 WeakPolarHBondContact O-CG 3.21Å; D1089-M1093 PolarHBondContact O-N 3.19Å
1090	H	39	Very low	39	Very low	114 Å²	114	99.1 Å²	99.1	53%	0.528	50%	0.5	S	S	.	.	H	α-helix	trans	-68.4	-43.1	175.3	-129.1	-75.1	0	0	0	112.9	D1086 E1087 I1088 M1093 E1094	D1086-H1090 WeakPolarHBondContact O-CB 3.49Å; D1086-H1090 PolarHBondContact O-N 2.85Å; E1087-H1090 PolarHBondContact O-N 3.4Å; I1088-H1090 VanDerWaalsContact C-N 3.27Å; I1088-H1090 PolarHBondContact O-N 3.27Å; H1090-M1093 CarbonylContact O-C 3.54Å; H1090-M1093 WeakPolarHBondContact O-CB 3.19Å; H1090-M1093 PolarHBondContact O-N 3.06Å; H1090-E1094 WeakPolarHBondContact O-CG 3.3Å; H1090-E1094 PolarHBondContact O-N 3.32Å
1091	A	41.5	Very low	39.6	Very low	33 Å²	33	100.2 Å²	100.2	27%	0.273	51%	0.508	S	S	.	.	H	α-helix	trans	-66.5	-36.2	176.6	0	0	0	0	0	112.4	E1087 I1088 E1094 L1095	E1087-A1091 PolarHBondContact O-N 3.34Å; I1088-A1091 PolarHBondContact O-N 3.31Å; A1091-E1094 PolarHBondContact O-N 3.3Å; A1091-L1095 PolarHBondContact O-N 3.47Å; A1091-L1095 VanDerWaalsContact O-N 3.12Å
1092	E	40.4	Very low	40.1	Very low	69 Å²	69	99.2 Å²	99.2	32%	0.322	49%	0.493	S	S	.	.	H	α-helix	trans	-72.7	-37.9	173.5	-163.6	176.9	160.2	0	0	111.6	K354 I1088 E1094 L1095 R1096	K354-E1092 IonicContact NZ-OE2 2.63Å; K354-E1092 PolarHBondContact NZ-OE2 2.84Å; I1088-E1092 PolarHBondContact O-N 2.81Å; I1088-E1092 VanDerWaalsContact O-N 3.14Å; E1092-E1094 VanDerWaalsContact C-N 3.31Å; E1092-E1094 PolarHBondContact O-N 2.86Å; E1092-L1095 PolarHBondContact O-N 2.99Å; E1092-R1096 PolarHBondContact O-N 3.1Å; E1092-R1096 IonicContact OE1-NH2 2.93Å
1093	M	44	Very low	40.7	Very low	129 Å²	129	100.7 Å²	100.7	64%	0.635	49%	0.491	S	S	*	.	H	α-helix	trans	-59.9	-39.1	168.6	-93.3	-165.8	170	0	0	111.8	D1089 H1090 R1096 R1097	D1089-M1093 VanDerWaalsContact O-CB 3.27Å; D1089-M1093 WeakPolarHBondContact O-CB 3.29Å; D1089-M1093 WeakPolarHBondContact O-CG 3.21Å; D1089-M1093 PolarHBondContact O-N 3.19Å; H1090-M1093 CarbonylContact O-C 3.54Å; H1090-M1093 WeakPolarHBondContact O-CB 3.19Å; H1090-M1093 PolarHBondContact O-N 3.06Å; M1093-R1096 PolarHBondContact O-N 3.26Å; M1093-R1097 VanDerWaalsContact O-CB 3.25Å; M1093-R1097 WeakPolarHBondContact O-CB 3.37Å; M1093-R1097 PolarHBondContact O-N 2.9Å
1094	E	44.8	Very low	41.2	Very low	106 Å²	106	105.1 Å²	105.1	50%	0.495	50%	0.504	S	S	.	.	H	α-helix	trans	-63.3	-44.2	175.4	-80.1	-168.3	164.5	0	0	112	H1090 A1091 E1092 R1097 G1098	H1090-E1094 WeakPolarHBondContact O-CG 3.3Å; H1090-E1094 PolarHBondContact O-N 3.32Å; A1091-E1094 PolarHBondContact O-N 3.3Å; E1092-E1094 VanDerWaalsContact C-N 3.31Å; E1092-E1094 PolarHBondContact O-N 2.86Å; E1094-R1097 PolarHBondContact O-N 3.24Å; E1094-G1098 PolarHBondContact O-N 3.23Å
1095	L	42.4	Very low	41.7	Very low	103 Å²	103	101.5 Å²	101.5	54%	0.539	49%	0.491	S	S	.	.	H	α-helix	trans	-58.8	-46.5	173.4	-101.2	151.8	0	0	0	111.8	V366 A1091 E1092 G1098 Q1099	V366-L1095 HydrophobicContact CG2-CD1 4.19Å; A1091-L1095 PolarHBondContact O-N 3.47Å; A1091-L1095 VanDerWaalsContact O-N 3.12Å; E1092-L1095 PolarHBondContact O-N 2.99Å; L1095-G1098 PolarHBondContact O-N 2.97Å; L1095-Q1099 PolarHBondContact O-N 2.94Å
1096	R	43.1	Very low	42.1	Very low	151 Å²	151	100.7 Å²	100.7	57%	0.57	48%	0.483	S	S	*	.	H	α-helix	trans	-68.3	-37.1	175.3	-72	-173.4	-175.4	-145.8	3.1	112.7	E1092 M1093 G1098 Q1099 I1100	E1092-R1096 PolarHBondContact O-N 3.1Å; E1092-R1096 IonicContact OE1-NH2 2.93Å; M1093-R1096 PolarHBondContact O-N 3.26Å; R1096-G1098 VanDerWaalsContact C-N 3.31Å; R1096-G1098 PolarHBondContact O-N 3.47Å; R1096-Q1099 PolarHBondContact O-N 2.93Å; R1096-I1100 WeakPolarHBondContact O-CD1 3.42Å; R1096-I1100 VanDerWaalsContact O-CG1 3.23Å; R1096-I1100 WeakPolarHBondContact O-CG1 3.26Å; R1096-I1100 PolarHBondContact O-N 2.88Å
1097	R	39.9	Very low	42.6	Very low	174 Å²	174	100.3 Å²	100.3	66%	0.657	48%	0.481	S	S	*	.	H	α-helix	trans	-62.6	-40.1	175.2	-118.3	176.5	172.5	-176	-0.5	110.6	M1093 E1094 I1100 L1101	M1093-R1097 VanDerWaalsContact O-CB 3.25Å; M1093-R1097 WeakPolarHBondContact O-CB 3.37Å; M1093-R1097 PolarHBondContact O-N 2.9Å; E1094-R1097 PolarHBondContact O-N 3.24Å; R1097-I1100 PolarHBondContact O-N 3.38Å; R1097-L1101 VanDerWaalsContact O-CB 3.26Å; R1097-L1101 WeakPolarHBondContact O-CB 3.05Å; R1097-L1101 WeakPolarHBondContact O-CD1 3.14Å; R1097-L1101 VanDerWaalsContact O-CG 3.26Å; R1097-L1101 WeakPolarHBondContact O-CG 3.44Å; R1097-L1101 PolarHBondContact O-N 3.19Å
1098	G	42.9	Very low	42.9	Very low	40 Å²	40	103.8 Å²	103.8	41%	0.412	49%	0.49	S	S	.	.	H	α-helix	trans	-58	-49.7	174.1	0	0	0	0	0	111.9	E1094 L1095 R1096 I1100 L1101 W1102	E1094-G1098 PolarHBondContact O-N 3.23Å; L1095-G1098 PolarHBondContact O-N 2.97Å; R1096-G1098 VanDerWaalsContact C-N 3.31Å; R1096-G1098 PolarHBondContact O-N 3.47Å; G1098-I1100 PolarHBondContact O-N 3.38Å; G1098-L1101 PolarHBondContact O-N 2.91Å; G1098-W1102 WeakPolarHBondContact O-CB 3.33Å; G1098-W1102 PolarHBondContact O-N 2.75Å
1099	Q	39.3	Very low	43.4	Very low	94 Å²	94	105.5 Å²	105.5	44%	0.439	50%	0.499	S	S	.	.	H	α-helix	trans	-60.5	-44.9	175.3	-73.6	177.9	-24.9	0	0	112.4	V105 L1095 R1096 W1102 F1103	V105-Q1099 HydrophobicContact CG2-CG 4.41Å; L1095-Q1099 PolarHBondContact O-N 2.94Å; R1096-Q1099 PolarHBondContact O-N 2.93Å; Q1099-W1102 PolarHBondContact O-N 2.04Å; Q1099-F1103 VanDerWaalsContact O-CD2 3.29Å; Q1099-F1103 WeakPolarHBondContact O-CD2 3.3Å; Q1099-F1103 PolarHBondContact O-N 3.17Å
1100	I	41	Very low	43.9	Very low	98 Å²	98	108 Å²	108	50%	0.503	51%	0.508	S	S	.	.	H	α-helix	trans	-67.1	-40.6	180	-66.9	163.2	0	0	0	111.9	R1096 R1097 G1098 W1102 F1103 R1104	R1096-I1100 WeakPolarHBondContact O-CD1 3.42Å; R1096-I1100 VanDerWaalsContact O-CG1 3.23Å; R1096-I1100 WeakPolarHBondContact O-CG1 3.26Å; R1096-I1100 PolarHBondContact O-N 2.88Å; R1097-I1100 PolarHBondContact O-N 3.38Å; G1098-I1100 PolarHBondContact O-N 3.38Å; I1100-W1102 VanDerWaalsContact C-N 3.28Å; I1100-W1102 PolarHBondContact O-N 3.48Å; I1100-F1103 PolarHBondContact O-N 3.45Å; I1100-R1104 WeakPolarHBondContact O-CG 3.33Å; I1100-R1104 PolarHBondContact O-N 3.45Å
1101	L	43	Very low	44.5	Very low	113 Å²	113	106.4 Å²	106.4	59%	0.592	51%	0.507	S	S	*	.	H	α-helix	trans	-64.9	-35.4	176	-78.7	164.2	0	0	0	111.2	R1097 G1098 R1104 G1105	R1097-L1101 VanDerWaalsContact O-CB 3.26Å; R1097-L1101 WeakPolarHBondContact O-CB 3.05Å; R1097-L1101 WeakPolarHBondContact O-CD1 3.14Å; R1097-L1101 VanDerWaalsContact O-CG 3.26Å; R1097-L1101 WeakPolarHBondContact O-CG 3.44Å; R1097-L1101 PolarHBondContact O-N 3.19Å; G1098-L1101 PolarHBondContact O-N 2.91Å; L1101-R1104 PolarHBondContact O-N 2.98Å; L1101-G1105 PolarHBondContact O-N 3.17Å
1102	W	44.7	Very low	45.2	Very low	140 Å²	140	110.5 Å²	110.5	53%	0.53	52%	0.52	S	S	.	.	H	α-helix	trans	-71.8	-41	176.5	-152.7	80.6	0	0	0	112.5	G1098 Q1099 I1100 R1104 G1105 L1106	G1098-W1102 WeakPolarHBondContact O-CB 3.33Å; G1098-W1102 PolarHBondContact O-N 2.75Å; Q1099-W1102 PolarHBondContact O-N 2.04Å; I1100-W1102 VanDerWaalsContact C-N 3.28Å; I1100-W1102 PolarHBondContact O-N 3.48Å; W1102-R1104 PolarHBondContact O-N 3.35Å; W1102-G1105 CarbonylContact O-C 3.54Å; W1102-G1105 WeakPolarHBondContact O-CA 3.46Å; W1102-G1105 PolarHBondContact O-N 3.48Å; W1102-L1106 HydrophobicContact CD2-CD1 4.34Å; W1102-L1106 HydrophobicContact CE3-CD1 3.46Å; W1102-L1106 VanDerWaalsContact CE3-CD1 3.46Å; W1102-L1106 HydrophobicContact CE3-CG 4.11Å; W1102-L1106 HydrophobicContact CH2-CD1 3.74Å; W1102-L1106 HydrophobicContact CH2-CG 4.18Å; W1102-L1106 HydrophobicContact CZ3-CD1 3.12Å; W1102-L1106 HydrophobicContact CZ3-CG 3.94Å; W1102-L1106 PolarHBondContact O-N 2.99Å
1103	F	44.7	Very low	45.8	Very low	136 Å²	136	113.4 Å²	113.4	60%	0.596	54%	0.536	S	S	*	.	H	α-helix	trans	-59.5	-35.1	169.5	-88.4	-70.3	0	0	0	112.5	Q1099 I1100 N1107	Q1099-F1103 VanDerWaalsContact O-CD2 3.29Å; Q1099-F1103 WeakPolarHBondContact O-CD2 3.3Å; Q1099-F1103 PolarHBondContact O-N 3.17Å; I1100-F1103 PolarHBondContact O-N 3.45Å; F1103-N1107 WeakPolarHBondContact O-CB 3.39Å; F1103-N1107 PolarHBondContact O-N 3.3Å; F1103-N1107 VanDerWaalsContact O-N 3.1Å; F1103-N1107 PolarHBondContact O-ND2 2.94Å
1104	R	43.7	Very low	45.9	Very low	183 Å²	183	112.1 Å²	112.1	69%	0.691	53%	0.531	S	S	*	.	H	α-helix	trans	-71.4	-35.3	172.4	-70.3	174.5	87.3	150.5	3.4	111.7	I1100 L1101 W1102 R1108	I1100-R1104 WeakPolarHBondContact O-CG 3.33Å; I1100-R1104 PolarHBondContact O-N 3.45Å; L1101-R1104 PolarHBondContact O-N 2.98Å; W1102-R1104 PolarHBondContact O-N 3.35Å; R1104-R1108 VanDerWaalsContact O-CB 3.31Å; R1104-R1108 WeakPolarHBondContact O-CB 3.31Å; R1104-R1108 PolarHBondContact O-N 2.81Å
1105	G	48.6	Very low	46.6	Very low	30 Å²	30	111 Å²	111	31%	0.309	53%	0.531	S	S	.	.	H	α-helix	trans	-63.6	-48.6	173.2	0	0	0	0	0	113	L1101 W1102 R1108 I1109	L1101-G1105 PolarHBondContact O-N 3.17Å; W1102-G1105 CarbonylContact O-C 3.54Å; W1102-G1105 WeakPolarHBondContact O-CA 3.46Å; W1102-G1105 PolarHBondContact O-N 3.48Å; G1105-R1108 WeakPolarHBondContact O-CA 3.28Å; G1105-R1108 WeakPolarHBondContact O-CB 3.24Å; G1105-R1108 PolarHBondContact O-N 3.06Å; G1105-R1108 VanDerWaalsContact O-N 3.1Å; G1105-I1109 WeakPolarHBondContact O-CG1 3.38Å; G1105-I1109 PolarHBondContact O-N 2.72Å
1106	L	45.6	Very low	47.5	Very low	75 Å²	75	109.8 Å²	109.8	39%	0.393	53%	0.528	S	S	.	.	H	α-helix	trans	-61.2	-45.8	175.3	-90.2	172.2	0	0	0	112.4	W1102 R1108 I1109 Q1110	W1102-L1106 HydrophobicContact CD2-CD1 4.34Å; W1102-L1106 HydrophobicContact CE3-CD1 3.46Å; W1102-L1106 VanDerWaalsContact CE3-CD1 3.46Å; W1102-L1106 HydrophobicContact CE3-CG 4.11Å; W1102-L1106 HydrophobicContact CH2-CD1 3.74Å; W1102-L1106 HydrophobicContact CH2-CG 4.18Å; W1102-L1106 HydrophobicContact CZ3-CD1 3.12Å; W1102-L1106 HydrophobicContact CZ3-CG 3.94Å; W1102-L1106 PolarHBondContact O-N 2.99Å; L1106-R1108 PolarHBondContact O-N 3.12Å; L1106-I1109 PolarHBondContact O-N 3Å; L1106-Q1110 WeakPolarHBondContact O-CB 3.44Å; L1106-Q1110 PolarHBondContact O-N 2.98Å
1107	N	44.2	Very low	48	Very low	92 Å²	92	110 Å²	110	49%	0.492	53%	0.53	S	S	.	.	H	α-helix	trans	-61.8	-29.2	174.5	-81.8	-53.4	0	0	0	112.4	F1103 T1111	F1103-N1107 WeakPolarHBondContact O-CB 3.39Å; F1103-N1107 PolarHBondContact O-N 3.3Å; F1103-N1107 VanDerWaalsContact O-N 3.1Å; F1103-N1107 PolarHBondContact O-ND2 2.94Å; N1107-T1111 PolarHBondContact O-N 3.43Å; N1107-T1111 VanDerWaalsContact O-N 3.12Å; N1107-T1111 PolarHBondContact O-OG1 2.93Å
1108	R	46.8	Very low	49	Very low	175 Å²	175	105.7 Å²	105.7	66%	0.66	52%	0.523	S	S	*	.	H	α-helix	trans	-76.1	-36.7	176.4	-158.1	175.3	-174.5	-179.4	-0	112.1	R1104 G1105 L1106 T1111 Q1112	R1104-R1108 VanDerWaalsContact O-CB 3.31Å; R1104-R1108 WeakPolarHBondContact O-CB 3.31Å; R1104-R1108 PolarHBondContact O-N 2.81Å; G1105-R1108 WeakPolarHBondContact O-CA 3.28Å; G1105-R1108 WeakPolarHBondContact O-CB 3.24Å; G1105-R1108 PolarHBondContact O-N 3.06Å; G1105-R1108 VanDerWaalsContact O-N 3.1Å; L1106-R1108 PolarHBondContact O-N 3.12Å; R1108-T1111 VanDerWaalsContact CA-OG1 3.3Å; R1108-T1111 WeakPolarHBondContact CA-OG1 3.18Å; R1108-T1111 PolarHBondContact O-OG1 3.02Å; R1108-T1111 VanDerWaalsContact O-OG1 3.06Å; R1108-Q1112 WeakPolarHBondContact O-CB 3.39Å; R1108-Q1112 VanDerWaalsContact O-CG 3.31Å; R1108-Q1112 WeakPolarHBondContact O-CG 3.45Å; R1108-Q1112 PolarHBondContact O-N 2.83Å
1109	I	52.7	Low	49.8	Very low	95 Å²	95	112.2 Å²	112.2	49%	0.487	54%	0.54	S	S	.	.	H	α-helix	trans	-67.9	-40.5	172.9	-67.7	168.7	0	0	0	110.3	G1105 L1106 T1111 Q1112 M1113	G1105-I1109 WeakPolarHBondContact O-CG1 3.38Å; G1105-I1109 PolarHBondContact O-N 2.72Å; L1106-I1109 PolarHBondContact O-N 3Å; I1109-T1111 PolarHBondContact O-N 3.38Å; I1109-Q1112 PolarHBondContact O-N 3.49Å; I1109-M1113 HydrophobicContact CG2-SD 4.35Å; I1109-M1113 PolarHBondContact O-N 3.41Å
1110	Q	48.8	Very low	50.6	Low	118 Å²	118	115 Å²	115	55%	0.551	55%	0.553	S	S	*	*	H	α-helix	trans	-62.7	-43.2	176.8	-162.2	173.6	12.9	0	0	111.8	L1106 Q1112 M1113 D1114	L1106-Q1110 WeakPolarHBondContact O-CB 3.44Å; L1106-Q1110 PolarHBondContact O-N 2.98Å; Q1110-Q1112 VanDerWaalsContact C-N 3.35Å; Q1110-Q1112 PolarHBondContact O-N 3.26Å; Q1110-M1113 PolarHBondContact O-N 3.36Å; Q1110-D1114 PolarHBondContact O-N 3.45Å
1111	T	52.7	Low	51.5	Low	81 Å²	81	113.2 Å²	113.2	50%	0.497	55%	0.547	S	S	.	.	H	α-helix	trans	-67.9	-31.9	173.7	33.3	0	0	0	0	113	N1107 R1108 I1109 V1115	N1107-T1111 PolarHBondContact O-N 3.43Å; N1107-T1111 VanDerWaalsContact O-N 3.12Å; N1107-T1111 PolarHBondContact O-OG1 2.93Å; R1108-T1111 VanDerWaalsContact CA-OG1 3.3Å; R1108-T1111 WeakPolarHBondContact CA-OG1 3.18Å; R1108-T1111 PolarHBondContact O-OG1 3.02Å; R1108-T1111 VanDerWaalsContact O-OG1 3.06Å; I1109-T1111 PolarHBondContact O-N 3.38Å; T1111-V1115 VanDerWaalsContact O-CG2 3.23Å; T1111-V1115 WeakPolarHBondContact O-CG2 3.35Å; T1111-V1115 PolarHBondContact O-N 2.77Å
1112	Q	56.6	Low	51.6	Low	118 Å²	118	111.2 Å²	111.2	55%	0.551	55%	0.554	S	S	*	*	H	α-helix	trans	-72.2	-38	173.5	-76.7	-176.3	-12.4	0	0	112.5	R1108 I1109 Q1110 V1115 V1116	R1108-Q1112 WeakPolarHBondContact O-CB 3.39Å; R1108-Q1112 VanDerWaalsContact O-CG 3.31Å; R1108-Q1112 WeakPolarHBondContact O-CG 3.45Å; R1108-Q1112 PolarHBondContact O-N 2.83Å; I1109-Q1112 PolarHBondContact O-N 3.49Å; Q1110-Q1112 VanDerWaalsContact C-N 3.35Å; Q1110-Q1112 PolarHBondContact O-N 3.26Å; Q1112-V1115 PolarHBondContact O-N 2.94Å; Q1112-V1116 VanDerWaalsContact O-CG2 3.3Å; Q1112-V1116 WeakPolarHBondContact O-CG2 3.23Å; Q1112-V1116 PolarHBondContact O-N 3.33Å
1113	M	51.5	Low	51.5	Low	131 Å²	131	112 Å²	112	65%	0.645	56%	0.563	S	S	*	*	H	α-helix	trans	-64.2	-40.8	173.1	-78.4	-178.9	73.6	0	0	111.7	I1109 Q1110 V1115 V1116 Y1117	I1109-M1113 HydrophobicContact CG2-SD 4.35Å; I1109-M1113 PolarHBondContact O-N 3.41Å; Q1110-M1113 PolarHBondContact O-N 3.36Å; M1113-V1115 VanDerWaalsContact C-N 3.31Å; M1113-V1115 PolarHBondContact O-N 2.94Å; M1113-V1116 PolarHBondContact O-N 3.09Å; M1113-Y1117 VanDerWaalsContact O-CB 3.28Å; M1113-Y1117 WeakPolarHBondContact O-CB 3.44Å; M1113-Y1117 PolarHBondContact O-N 3.27Å
1114	D	46.5	Very low	51.5	Low	102 Å²	102	110.1 Å²	110.1	55%	0.545	57%	0.573	S	S	.	*	H	α-helix	trans	-61.2	-40.4	175.2	-81.3	-17	0	0	0	111.8	Q1110 Y1117 T1118	Q1110-D1114 PolarHBondContact O-N 3.45Å; D1114-Y1117 PolarHBondContact O-N 3.43Å; D1114-T1118 PolarHBondContact O-N 3.23Å; D1114-T1118 PolarHBondContact O-OG1 3.48Å
1115	V	60.6	Low	51.2	Low	81 Å²	81	106 Å²	106	49%	0.491	58%	0.578	S	S	.	*	H	α-helix	trans	-66.9	-43	176.3	171.5	0	0	0	0	111.6	T1111 Q1112 M1113 Y1117 T1118 F1119	T1111-V1115 VanDerWaalsContact O-CG2 3.23Å; T1111-V1115 WeakPolarHBondContact O-CG2 3.35Å; T1111-V1115 PolarHBondContact O-N 2.77Å; Q1112-V1115 PolarHBondContact O-N 2.94Å; M1113-V1115 VanDerWaalsContact C-N 3.31Å; M1113-V1115 PolarHBondContact O-N 2.94Å; V1115-Y1117 VanDerWaalsContact C-N 3.33Å; V1115-T1118 WeakPolarHBondContact CA-OG1 3.3Å; V1115-T1118 PolarHBondContact O-N 3.23Å; V1115-T1118 PolarHBondContact O-OG1 3.29Å; V1115-F1119 HydrophobicContact CG1-CD2 4.16Å; V1115-F1119 HydrophobicContact CG1-CE2 4.39Å; V1115-F1119 WeakPolarHBondContact O-CD2 3.49Å; V1115-F1119 PolarHBondContact O-N 3.02Å
1116	V	61.4	Low	50.5	Low	78 Å²	78	110.6 Å²	110.6	47%	0.473	60%	0.6	S	S	.	*	H	α-helix	trans	-64.7	-40.2	176	171.8	0	0	0	0	110.7	Q1112 M1113 T1118 F1119 Q1120	Q1112-V1116 VanDerWaalsContact O-CG2 3.3Å; Q1112-V1116 WeakPolarHBondContact O-CG2 3.23Å; Q1112-V1116 PolarHBondContact O-N 3.33Å; M1113-V1116 PolarHBondContact O-N 3.09Å; V1116-T1118 VanDerWaalsContact C-N 3.34Å; V1116-T1118 PolarHBondContact O-N 3.2Å; V1116-F1119 PolarHBondContact O-N 3.1Å; V1116-Q1120 HydrophobicContact CG1-CG 4.42Å; V1116-Q1120 WeakPolarHBondContact O-CB 3.38Å; V1116-Q1120 WeakPolarHBondContact O-CG 3.44Å; V1116-Q1120 PolarHBondContact O-N 2.69Å
1117	Y	52.5	Low	50.3	Low	157 Å²	157	113.4 Å²	113.4	62%	0.616	62%	0.622	S	S	*	*	H	α-helix	trans	-64.5	-37	175.7	-170.6	-97.7	0	0	0	111.9	M1113 D1114 V1115 T1121	M1113-Y1117 VanDerWaalsContact O-CB 3.28Å; M1113-Y1117 WeakPolarHBondContact O-CB 3.44Å; M1113-Y1117 PolarHBondContact O-N 3.27Å; D1114-Y1117 PolarHBondContact O-N 3.43Å; V1115-Y1117 VanDerWaalsContact C-N 3.33Å; Y1117-T1121 HydrophobicContact CD1-CG2 4.29Å; Y1117-T1121 HydrophobicContact CE1-CG2 3.95Å; Y1117-T1121 HydrophobicContact CE2-CG2 4.24Å; Y1117-T1121 WeakPolarHBondContact O-CB 3.44Å; Y1117-T1121 WeakPolarHBondContact O-CG2 3.49Å; Y1117-T1121 PolarHBondContact O-N 2.62Å; Y1117-T1121 VanDerWaalsContact O-N 3.1Å; Y1117-T1121 PolarHBondContact O-OG1 2.91Å
1118	T	60.2	Low	50.1	Low	82 Å²	82	112.3 Å²	112.3	50%	0.503	63%	0.633	S	S	.	*	H	α-helix	trans	-68.7	-34.4	174	4.7	0	0	0	0	112.6	D1114 V1115 V1116	D1114-T1118 PolarHBondContact O-N 3.23Å; D1114-T1118 PolarHBondContact O-OG1 3.48Å; V1115-T1118 WeakPolarHBondContact CA-OG1 3.3Å; V1115-T1118 PolarHBondContact O-N 3.23Å; V1115-T1118 PolarHBondContact O-OG1 3.29Å; V1116-T1118 VanDerWaalsContact C-N 3.34Å; V1116-T1118 PolarHBondContact O-N 3.2Å
1119	F	61.6	Low	49.4	Very low	177 Å²	177	108.7 Å²	108.7	78%	0.776	64%	0.641	S	S	*	*	H	α-helix	trans	-73.2	-36.3	175.1	-96.7	-82	0	0	0	113.2	V1115 V1116	V1115-F1119 HydrophobicContact CG1-CD2 4.16Å; V1115-F1119 HydrophobicContact CG1-CE2 4.39Å; V1115-F1119 WeakPolarHBondContact O-CD2 3.49Å; V1115-F1119 PolarHBondContact O-N 3.02Å; V1116-F1119 PolarHBondContact O-N 3.1Å
1120	Q	54.7	Low	48.7	Very low	154 Å²	154	112.5 Å²	112.5	72%	0.72	66%	0.661	S	S	*	*	H	α-helix	trans	-75	-29.4	179.4	-76.8	179.6	-14.2	0	0	113.4	V1116	V1116-Q1120 HydrophobicContact CG1-CG 4.42Å; V1116-Q1120 WeakPolarHBondContact O-CB 3.38Å; V1116-Q1120 WeakPolarHBondContact O-CG 3.44Å; V1116-Q1120 PolarHBondContact O-N 2.69Å
1121	T	59.5	Low	48	Very low	60 Å²	60	118.3 Å²	118.3	37%	0.368	68%	0.678	S	S	.	*	S	Bend	trans	-87.5	-5.6	-177.4	51.1	0	0	0	0	114.2	Y1117 Q1123	Y1117-T1121 HydrophobicContact CD1-CG2 4.29Å; Y1117-T1121 HydrophobicContact CE1-CG2 3.95Å; Y1117-T1121 HydrophobicContact CE2-CG2 4.24Å; Y1117-T1121 WeakPolarHBondContact O-CB 3.44Å; Y1117-T1121 WeakPolarHBondContact O-CG2 3.49Å; Y1117-T1121 PolarHBondContact O-N 2.62Å; Y1117-T1121 VanDerWaalsContact O-N 3.1Å; Y1117-T1121 PolarHBondContact O-OG1 2.91Å; T1121-Q1123 PolarHBondContact O-N 2.93Å
1122	G	45.7	Very low	46.8	Very low	71 Å²	71	126.4 Å²	126.4	73%	0.732	70%	0.699	S	S	*	*			trans	60.9	14.7	170.9	0	0	0	0	0	115.8
1123	Q	43.4	Very low	45.6	Very low	156 Å²	156	129.2 Å²	129.2	73%	0.729	71%	0.712	S	S	*	*			trans	-86.5	125.9	-179.2	-74.9	-172.9	-15.9	0	0	111.4	T1121	T1121-Q1123 PolarHBondContact O-N 2.93Å
1124	A	43.5	Very low	44.5	Very low	96 Å²	96	128.8 Å²	128.8	79%	0.793	72%	0.719	S	S	*	*			trans	-60.3	148.7	173.3	0	0	0	0	0	112	V1126	A1124-V1126 PolarHBondContact O-N 3Å
1125	A	38	Very low	43.5	Very low	98 Å²	98	129.2 Å²	129.2	81%	0.81	73%	0.73	S	S	*	*			trans	-36.4	123.9	-171	0	0	0	0	0	116.5
1126	V	34.8	Very low	42.3	Very low	126 Å²	126	132 Å²	132	76%	0.764	75%	0.748	S	S	*	*			trans	-77.8	122.6	159.2	179.5	0	0	0	0	108.5	A1124 G1128	A1124-V1126 PolarHBondContact O-N 3Å; V1126-G1128 PolarHBondContact O-N 3.02Å
1127	P	39.5	Very low	40.9	Very low	133 Å²	133	134.9 Å²	134.9	86%	0.864	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	94.7	178.5	28.7	-30.6	0	0	0	110
1128	G	40.7	Very low	40	Very low	70 Å²	70	132.9 Å²	132.9	72%	0.722	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-166.5	-5.8	175.4	0	0	0	0	0	116.3	V1126	V1126-G1128 PolarHBondContact O-N 3.02Å
1129	A	33.2	Very low	38.5	Very low	99 Å²	99	137.5 Å²	137.5	82%	0.818	79%	0.79	S	S	*	*			trans	-101.8	31.3	-169.9	0	0	0	0	0	115.1
1130	L	37.2	Very low	37	Very low	174 Å²	174	137.9 Å²	137.9	91%	0.911	79%	0.794	S	S	*	*			trans	-135.1	73	172.4	-94.4	161.8	0	0	0	111
1131	R	33.5	Very low	35.8	Very low	241 Å²	241	137.9 Å²	137.9	91%	0.909	80%	0.798	S	S	*	*			trans	-158.7	94.5	152.4	-121.1	178.8	-178.3	-179.8	0.9	110.2
1132	R	28.7	Very low	34.3	Very low	250 Å²	250	143.1 Å²	143.1	94%	0.943	82%	0.824	S	S	*	*			trans	-117.3	117	149.8	-88.2	-170.1	175.2	179.6	0.6	108
1133	Q	31.1	Very low	33.4	Very low	177 Å²	177	144.3 Å²	144.3	83%	0.827	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-63.2	144.6	160	-76.7	176.9	-37.1	0	0	108.9
1134	P	27.4	Very low	32.8	Very low	122 Å²	122	143.9 Å²	143.9	79%	0.792	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-69.1	130.6	169.9	27.5	-30.1	0	0	0	109.9
1135	S	26.7	Very low	32.2	Very low	111 Å²	111	144.3 Å²	144.3	78%	0.776	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-70.2	126.8	171.3	49.3	0	0	0	0	110.3	V1137	S1135-V1137 PolarHBondContact O-N 3.5Å
1136	V	35.8	Very low	31.6	Very low	141 Å²	141	144.6 Å²	144.6	86%	0.855	84%	0.841	S	S	*	*	S	Bend	trans	-67.1	87.5	174.4	179.7	0	0	0	0	109.9
1137	V	31.8	Very low	31.3	Very low	138 Å²	138	148.4 Å²	148.4	84%	0.836	85%	0.847	S	S	*	*			trans	-155.8	68.6	152.1	-172.3	0	0	0	0	107.9	S1135	S1135-V1137 PolarHBondContact O-N 3.5Å
1138	S	32.3	Very low	30.8	Very low	114 Å²	114	149.2 Å²	149.2	80%	0.797	85%	0.85	S	S	*	*			trans	-170.7	45.9	162	66.8	0	0	0	0	111.6
1139	Q	29.3	Very low	30.2	Very low	180 Å²	180	153.6 Å²	153.6	84%	0.841	86%	0.856	S	S	*	*			trans	-136.8	74.2	170.1	-84.2	-171.1	-12.7	0	0	109
1140	H	29.8	Very low	29.9	Very low	185 Å²	185	154.2 Å²	154.2	86%	0.856	85%	0.854	S	S	*	*	S	Bend	trans	-166.4	78.4	150.4	-107.3	49.5	0	0	0	106.1
1141	N	30.2	Very low	29.3	Very low	153 Å²	153	151 Å²	151	82%	0.818	85%	0.847	S	S	*	*	S	Bend	trans	162.4	75.9	159.1	-85.2	-5.6	0	0	0	106.2
1142	D	28.3	Very low	29.8	Very low	171 Å²	171	144.6 Å²	144.6	91%	0.914	84%	0.836	S	S	*	*			trans	175.1	78.4	152	-92	-17.4	0	0	0	107.9
1143	A	25.7	Very low	29.8	Very low	96 Å²	96	138.1 Å²	138.1	79%	0.793	83%	0.825	S	S	*	*			trans	-138.9	56.1	170.1	0	0	0	0	0	109.9
1144	T	31.5	Very low	29.6	Very low	146 Å²	146	137.7 Å²	137.7	90%	0.896	82%	0.822	S	S	*	*	S	Bend	trans	-156.9	71.5	163.7	12.9	0	0	0	0	110.1
1145	A	29.8	Very low	29.5	Very low	106 Å²	106	138.3 Å²	138.3	88%	0.876	82%	0.823	S	S	*	*			trans	168.8	83.7	146.3	0	0	0	0	0	110.8
1146	A	26.3	Very low	29.4	Very low	103 Å²	103	136.1 Å²	136.1	85%	0.851	82%	0.818	S	S	*	*			trans	-151.2	90.3	159.3	0	0	0	0	0	110.5
1147	K	27.9	Very low	28.9	Very low	206 Å²	206	137.8 Å²	137.8	90%	0.896	82%	0.821	S	S	*	*			trans	-145	87.8	154	-89.9	-170.7	-179.7	176.1	0	108.3
1148	T	28.7	Very low	28.5	Very low	150 Å²	150	136.3 Å²	136.3	92%	0.92	82%	0.818	S	S	*	*			trans	-162	129.7	130.4	-13.8	0	0	0	0	111
1149	L	29.6	Very low	28.1	Very low	162 Å²	162	135.8 Å²	135.8	85%	0.848	81%	0.814	S	S	*	*			trans	-71.5	141.2	175.7	-131.3	75	0	0	0	110.6
1150	S	26.3	Very low	28	Very low	112 Å²	112	131.9 Å²	131.9	78%	0.783	81%	0.806	S	S	*	*				144.1	131.7	110.4	68.6	0	0	0	0	114.7
1151	S	24.3	Very low	27.8	Very low	107 Å²	107	128.2 Å²	128.2	75%	0.748	80%	0.802	S	S	*	*			trans	-74.4	-170.4	170.1	52.6	0	0	0	0	113.2
1152	P	45.2	Very low	27.7	Very low	106 Å²	106	125.3 Å²	125.3	69%	0.688	79%	0.793	S	S	*	*			cis	-120.5	-176	-44.6	24.6	-1.9	0	0	0	109.6
1153	T	27	Very low	27.6	Very low	115 Å²	115	124.4 Å²	124.4	71%	0.706	79%	0.787	S	S	*	*				163.9	137.1	81	-34.6	0	0	0	0	109.6
1154	H	27.3	Very low	27.7	Very low	168 Å²	168	124.7 Å²	124.7	78%	0.778	78%	0.78	S	S	*	*			trans	32.8	129.2	148.3	-80.1	-105.7	0	0	0	125.3
1155	V	25.7	Very low	27.6	Very low	134 Å²	134	124.7 Å²	124.7	81%	0.812	77%	0.774	S	S	*	*				69.6	130.1	122.5	179.5	0	0	0	0	120.5
1156	G	24.2	Very low	27.5	Very low	65 Å²	65	125.4 Å²	125.4	67%	0.67	77%	0.773	S	S	*	*			trans	141.1	102.5	131.2	0	0	0	0	0	116.7
1157	L	26	Very low	27.7	Very low	176 Å²	176	125.8 Å²	125.8	92%	0.921	78%	0.776	S	S	*	*			trans	-30.2	139.9	159.2	-77.7	113	0	0	0	115.7
1158	S	23.8	Very low	27.7	Very low	108 Å²	108	119.8 Å²	119.8	76%	0.755	77%	0.772	S	S	*	*				175.4	128.8	112.3	44.4	0	0	0	0	113.7
1159	S	24.1	Very low	27.7	Very low	103 Å²	103	117.1 Å²	117.1	72%	0.72	77%	0.765	S	S	*	*			trans	24.8	130.7	142	59.1	0	0	0	0	123.5
1160	S	26.9	Very low	28.4	Very low	97 Å²	97	115.1 Å²	115.1	68%	0.678	76%	0.762	S	S	*	*				87.3	120.6	122.3	65.6	0	0	0	0	121.3
1161	S	25.9	Very low	29.5	Very low	109 Å²	109	115.1 Å²	115.1	76%	0.762	76%	0.76	S	S	*	*			trans	72.6	134.6	133.4	69.2	0	0	0	0	116.1
1162	S	26.7	Very low	30.6	Very low	92 Å²	92	115.6 Å²	115.6	64%	0.643	76%	0.76	S	S	*	*			cis	175.7	163.3	22.3	41.1	0	0	0	0	109.5
1163	L	27.4	Very low	29.8	Very low	151 Å²	151	114.9 Å²	114.9	79%	0.791	76%	0.763	S	S	*	*			trans	71.8	140.9	154.7	-59.6	144.6	0	0	0	115.8
1164	T	27.4	Very low	29.8	Very low	102 Å²	102	114 Å²	114	63%	0.626	77%	0.767	S	S	*	*			cis	-173.6	152.7	12.1	9.6	0	0	0	0	109.6
1165	N	28.1	Very low	29.9	Very low	147 Å²	147	110.6 Å²	110.6	79%	0.786	77%	0.768	S	S	*	*			trans	49.6	123.6	142.3	-65.6	-11.6	0	0	0	120.6
1166	S	28.7	Very low	30	Very low	121 Å²	121	109 Å²	109	85%	0.846	76%	0.763	S	S	*	*				172.7	143.2	82	44.4	0	0	0	0	111.2
1167	A	29.9	Very low	30.2	Very low	110 Å²	110	110.5 Å²	110.5	91%	0.909	76%	0.763	S	S	*	*			trans	-85.4	155.4	178.3	0	0	0	0	0	111.8
1168	G	28	Very low	30.4	Very low	80 Å²	80	107.3 Å²	107.3	83%	0.825	76%	0.756	S	S	*	*			trans	-176	98.3	168.3	0	0	0	0	0	112.4
1169	A	28.9	Very low	30.8	Very low	94 Å²	94	106.9 Å²	106.9	78%	0.777	76%	0.759	S	S	*	*			trans	-86.6	-169.3	173.7	0	0	0	0	0	110.6
1170	P	44.4	Very low	31.3	Very low	120 Å²	120	106.8 Å²	106.8	78%	0.779	77%	0.765	S	S	*	*			cis	-130.1	-133.8	-47.7	29.4	-4.8	0	0	0	111.8
1171	P	50.5	Low	31.7	Very low	113 Å²	113	105.7 Å²	105.7	73%	0.734	77%	0.769	S	S	*	*				-106.2	-152.3	-129.4	37.8	-13.1	0	0	0	111.6
1172	P	45.7	Very low	32.1	Very low	117 Å²	117	112.2 Å²	112.2	76%	0.76	80%	0.795	S	S	*	*			cis	-145.7	-171.7	4.9	41.8	-18.5	0	0	0	117.8
1173	A	28.2	Very low	32.3	Very low	90 Å²	90	113.2 Å²	113.2	74%	0.744	80%	0.802	S	S	*	*			trans	81.7	119.6	140.1	0	0	0	0	0	123.8
1174	A	27.6	Very low	32.6	Very low	96 Å²	96	111.2 Å²	111.2	79%	0.793	80%	0.803	S	S	*	*				75.8	144	123.4	0	0	0	0	0	123.7
1175	A	29	Very low	32.9	Very low	97 Å²	97	111.7 Å²	111.7	80%	0.802	81%	0.813	S	S	*	*			trans	75.4	147.9	160.5	0	0	0	0	0	116.3
1176	S	28.3	Very low	33.2	Very low	101 Å²	101	109.6 Å²	109.6	71%	0.706	81%	0.814	S	S	*	*			cis	-178.7	153.3	-15.5	48.6	0	0	0	0	105.9
1177	S	29.2	Very low	33.4	Very low	96 Å²	96	108.9 Å²	108.9	67%	0.671	81%	0.812	S	S	*	*			trans	63	114.2	145.2	65.8	0	0	0	0	121.3
1178	S	29.5	Very low	33.7	Very low	109 Å²	109	108.9 Å²	108.9	76%	0.762	81%	0.806	S	S	*	*				84.4	136.2	114.2	70.8	0	0	0	0	122
1179	A	32.2	Very low	34.1	Very low	100 Å²	100	110.9 Å²	110.9	83%	0.826	80%	0.804	S	S	*	*			trans	74.2	148.4	152.6	0	0	0	0	0	116.6
1180	A	35.7	Very low	34.5	Very low	101 Å²	101	112.2 Å²	112.2	84%	0.835	81%	0.807	S	S	*	*			cis	177.2	145.4	-17.5	0	0	0	0	0	102.8
1181	G	34.4	Very low	33.7	Very low	74 Å²	74	111.6 Å²	111.6	76%	0.763	81%	0.809	S	S	*	*			trans	152.5	96.4	164.4	0	0	0	0	0	115.7
1182	N	33.7	Very low	32.1	Very low	245 Å²	245	111.5 Å²	111.5	100%	1.31	82%	0.816	S	S	*	*			trans	82.4	0	167.3	-68.3	-3.9	0	0	0	118.9

Retrieved 1,182 of 1,182 residues in 743.4 ms (Link to these results)

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