A0A077ZBY8_TRITR Loading...

Dolichyl phosphate beta glucosyltransferase

AlphaFold DB , UniProt , Accession A0A077ZBY8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 560 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	55.7	Low	84.1	Confident	234 Å²	234	87.9 Å²	87.9	100%	1.153	50%	0.495	S	S	*	.				0	139.5	0	-93.6	179.4	167.9	0	0	106.9
2	E	71.2	Confident	84.9	Confident	139 Å²	139	81 Å²	81	65%	0.65	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-76.6	138.4	179.4	-155.1	169.4	-171.3	0	0	110.3	Y123	E2-Y123 HydrophobicContact CG-CD1 3.51Å; E2-Y123 HydrophobicContact CG-CE1 3.54Å
3	P	82.3	Confident	85.5	Confident	26 Å²	26	78 Å²	78	17%	0.169	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-58.1	136.8	177.5	-25.7	35	0	0	0	112.4	L104 F112 L120 Y123	P3-L104 WeakPolarHBondContact CG-O 3.37Å; P3-F112 HydrophobicContact CB-CE1 4.26Å; P3-F112 HydrophobicContact CG-CE1 3.72Å; P3-F112 HydrophobicContact CG-CZ 4.37Å; P3-L120 HydrophobicContact CB-CD2 3.53Å; P3-Y123 HydrophobicContact CB-CG 4.4Å; P3-Y123 HydrophobicContact CG-CD1 4.29Å; P3-Y123 HydrophobicContact CG-CD2 3.82Å; P3-Y123 HydrophobicContact CG-CE2 4.07Å; P3-Y123 HydrophobicContact CG-CG 3.9Å
4	T	82.8	Confident	85.9	Confident	99 Å²	99	75.5 Å²	75.5	61%	0.607	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-81.1	125.4	-179.3	-55.2	0	0	0	0	111	Q7	T4-Q7 HydrophobicContact CG2-CG 3.97Å
5	T	86.3	Confident	86.1	Confident	56 Å²	56	77.9 Å²	77.9	34%	0.344	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	156.8	177.1	58.2	0	0	0	0	112.4	Q7 L120	T5-Q7 PolarHBondContact O-N 3.49Å; T5-L120 CarbonylContact C-O 3.55Å; T5-L120 WeakPolarHBondContact CA-O 3.29Å
6	C	87.9	Confident	86.2	Confident	43 Å²	43	79.7 Å²	79.7	29%	0.291	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	16.2	-177.8	-59.7	0	0	0	0	115.8	L120 C149	C6-L120 PolarHBondContact N-O 3.08Å; C6-C149 WeakPolarHBondContact CA-SG 3.44Å; C6-C149 HydrophobicContact CB-CB 3.61Å; C6-C149 WeakPolarHBondContact CB-SG 3.26Å; C6-C149 WeakPolarHBondContact SG-CA 2.96Å; C6-C149 WeakPolarHBondContact SG-CB 2.97Å; C6-C149 CovalentContact SG-SG 2.05Å; C6-C149 PolarHBondContact SG-SG 2.77Å
7	Q	90.9	Very high	86.5	Confident	111 Å²	111	80.9 Å²	80.9	52%	0.519	46%	0.459	S	S	.	.	S	Bend	trans	-98.8	149.4	169	-63.6	-59.2	-28.9	0	0	110.6	T4 T5 R119 L120	T4-Q7 HydrophobicContact CG2-CG 3.97Å; T5-Q7 PolarHBondContact O-N 3.49Å; Q7-R119 CarbonylContact O-C 3.59Å; Q7-R119 VanDerWaalsContact O-CA 3.26Å; Q7-R119 WeakPolarHBondContact O-CA 3.44Å; Q7-L120 PolarHBondContact O-N 2.91Å
8	P	91.7	Very high	86.8	Confident	88 Å²	88	81.4 Å²	81.4	57%	0.571	46%	0.46	S	S	*	.	B	Isolated β-bridge	trans	-60.1	154.2	172.4	27.8	-34.5	0	0	0	110.6
9	A	92	Very high	87.1	Confident	19 Å²	19	77.3 Å²	77.3	16%	0.157	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-56.4	145.1	171.6	0	0	0	0	0	111.1	M20 Y114 G118	A9-M20 HydrophobicContact CB-CB 4.37Å; A9-M20 HydrophobicContact CB-CG 3.54Å; A9-Y114 HydrophobicContact CB-CD1 4.23Å; A9-Y114 HydrophobicContact CB-CE1 3.48Å; A9-Y114 VanDerWaalsContact CB-CE1 3.48Å; A9-G118 PolarHBondContact N-O 3.18Å
10	P	93.2	Very high	87.3	Confident	39 Å²	39	74.9 Å²	74.9	25%	0.253	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-57.3	155.6	168.6	26.8	-34.6	0	0	0	110.2	I12 P103 L104	P10-I12 HydrophobicContact CG-CG2 4.25Å; P10-I12 PolarHBondContact O-N 3.02Å; P10-P103 HydrophobicContact CB-CB 4.2Å; P10-P103 HydrophobicContact CG-CB 4.31Å; P10-P103 WeakPolarHBondContact CG-O 3.32Å; P10-L104 HydrophobicContact CG-CD2 3.84Å; P10-L104 HydrophobicContact CG-CG 4.41Å
11	P	91.3	Very high	87.3	Confident	113 Å²	113	74.5 Å²	74.5	73%	0.734	43%	0.428	S	S	*	.			trans	-75	63.7	-174.8	32.4	-36.8	0	0	0	112.2	L18	P11-L18 HydrophobicContact CB-CD2 3.96Å
12	I	93	Very high	88.9	Confident	5 Å²	5	68.5 Å²	68.5	3%	0.026	40%	0.401	C	S	.	.			trans	-78.2	136.6	176.9	53.4	169.7	0	0	0	110.5	P10 I19 I30 I100 P103 L104	P10-I12 HydrophobicContact CG-CG2 4.25Å; P10-I12 PolarHBondContact O-N 3.02Å; I12-I19 HydrophobicContact CB-CD1 4.24Å; I12-I19 HydrophobicContact CD1-CB 4.34Å; I12-I19 HydrophobicContact CD1-CD1 4.04Å; I12-I19 HydrophobicContact CG1-CB 4.22Å; I12-I19 HydrophobicContact CG1-CD1 4.15Å; I12-I19 PolarHBondContact O-N 3.35Å; I12-I30 HydrophobicContact CD1-CD1 4.48Å; I12-I100 HydrophobicContact CD1-CG2 3.96Å; I12-I100 HydrophobicContact CG2-CG2 4.4Å; I12-P103 HydrophobicContact CG2-CB 3.8Å; I12-P103 HydrophobicContact CG2-CG 4.28Å; I12-L104 HydrophobicContact CD1-CD1 4.2Å; I12-L104 HydrophobicContact CD1-CD2 4.06Å; I12-L104 HydrophobicContact CD1-CG 4.21Å
13	T	93.3	Very high	89.8	Confident	42 Å²	42	62.4 Å²	62.4	26%	0.258	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	153.4	-174.9	50.2	0	0	0	0	111.5	N17 L18 E98	T13-N17 CarbonylContact C-O 3.52Å; T13-N17 WeakPolarHBondContact CA-O 3.26Å; T13-L18 HydrophobicContact CG2-CD2 3.92Å; T13-L18 HydrophobicContact CG2-CG 4.31Å; T13-E98 PolarHBondContact OG1-OE1 2.82Å
14	H	91.2	Very high	90	Very high	43 Å²	43	64.5 Å²	64.5	20%	0.199	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	123.2	169.3	174.7	-120.1	0	0	0	108.2	S16 N17 I19 I92 E98	H14-S16 VanDerWaalsContact C-N 3.28Å; H14-S16 PolarHBondContact O-N 3.48Å; H14-N17 PolarHBondContact N-O 3.33Å; H14-N17 PolarHBondContact O-N 3.22Å; H14-I19 HydrophobicContact CB-CD1 3.96Å; H14-I19 HydrophobicContact CB-CG1 3.75Å; H14-I92 HydrophobicContact CB-CG2 4.1Å; H14-E98 VanDerWaalsContact CA-OE2 3.27Å; H14-E98 WeakPolarHBondContact CA-OE2 3.36Å
15	N	89	Confident	90.2	Very high	112 Å²	112	62 Å²	62	60%	0.599	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	44.1	-170	-56.6	-48.2	0	0	0	112.3	N17 E98	N15-N17 PolarHBondContact O-N 3.27Å; N15-N17 VanDerWaalsContact O-N 3.1Å; N15-N17 PolarHBondContact O-ND2 2.92Å; N15-E98 PolarHBondContact N-OE1 2.75Å; N15-E98 PolarHBondContact N-OE2 3.08Å
16	S	88	Confident	90.4	Very high	106 Å²	106	63.1 Å²	63.1	74%	0.741	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	10	-178.7	-50.8	0	0	0	0	115.5	H14 E98	H14-S16 VanDerWaalsContact C-N 3.28Å; H14-S16 PolarHBondContact O-N 3.48Å; S16-E98 WeakPolarHBondContact CA-OE1 3.44Å; S16-E98 PolarHBondContact N-OE1 2.83Å
17	N	91.2	Very high	90.7	Very high	101 Å²	101	61.1 Å²	61.1	54%	0.54	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.6	176.1	-64.6	-57.1	0	0	0	110.4	T13 H14 N15 I19	T13-N17 CarbonylContact C-O 3.52Å; T13-N17 WeakPolarHBondContact CA-O 3.26Å; H14-N17 PolarHBondContact N-O 3.33Å; H14-N17 PolarHBondContact O-N 3.22Å; N15-N17 PolarHBondContact O-N 3.27Å; N15-N17 VanDerWaalsContact O-N 3.1Å; N15-N17 PolarHBondContact O-ND2 2.92Å; N17-I19 PolarHBondContact O-N 3.31Å
18	L	91.9	Very high	90.9	Very high	90 Å²	90	55.8 Å²	55.8	47%	0.471	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	119.5	175.4	-74.4	166	0	0	0	110.1	P11 T13 M20 A21	P11-L18 HydrophobicContact CB-CD2 3.96Å; T13-L18 HydrophobicContact CG2-CD2 3.92Å; T13-L18 HydrophobicContact CG2-CG 4.31Å; L18-M20 VanDerWaalsContact C-N 3.34Å; L18-M20 PolarHBondContact O-N 3.18Å; L18-A21 HydrophobicContact CB-CB 3.98Å; L18-A21 WeakPolarHBondContact O-CB 3.38Å; L18-A21 PolarHBondContact O-N 3.1Å; L18-A21 VanDerWaalsContact O-N 3.14Å
19	I	92.1	Very high	91.2	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.015	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-57.9	-48.8	-174.7	-68.7	171.7	0	0	0	110.4	I12 H14 N17 A21 N22 Y23 I92 I100	I12-I19 HydrophobicContact CB-CD1 4.24Å; I12-I19 HydrophobicContact CD1-CB 4.34Å; I12-I19 HydrophobicContact CD1-CD1 4.04Å; I12-I19 HydrophobicContact CG1-CB 4.22Å; I12-I19 HydrophobicContact CG1-CD1 4.15Å; I12-I19 PolarHBondContact O-N 3.35Å; H14-I19 HydrophobicContact CB-CD1 3.96Å; H14-I19 HydrophobicContact CB-CG1 3.75Å; N17-I19 PolarHBondContact O-N 3.31Å; I19-A21 PolarHBondContact O-N 3.22Å; I19-N22 WeakPolarHBondContact O-CB 3.27Å; I19-N22 PolarHBondContact O-N 3.13Å; I19-N22 VanDerWaalsContact O-N 3.15Å; I19-Y23 HydrophobicContact CG2-CD2 4.31Å; I19-Y23 HydrophobicContact CG2-CE2 3.59Å; I19-Y23 WeakPolarHBondContact O-CD2 3.36Å; I19-Y23 WeakPolarHBondContact O-CE2 3.13Å; I19-I92 HydrophobicContact CD1-CD1 4.05Å; I19-I92 HydrophobicContact CG1-CD1 4.17Å; I19-I92 HydrophobicContact CG2-CD1 3.95Å; I19-I100 HydrophobicContact CD1-CD1 3.7Å; I19-I100 HydrophobicContact CD1-CG1 4.16Å
20	M	91	Very high	91.5	Very high	28 Å²	28	50.8 Å²	50.8	14%	0.138	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-69.9	-17	-177	-68.7	-57.1	-65	0	0	114.3	A9 L18 N22 Y23 A24 I30 Y114	A9-M20 HydrophobicContact CB-CB 4.37Å; A9-M20 HydrophobicContact CB-CG 3.54Å; L18-M20 VanDerWaalsContact C-N 3.34Å; L18-M20 PolarHBondContact O-N 3.18Å; M20-N22 PolarHBondContact O-N 2.83Å; M20-Y23 PolarHBondContact O-N 3.36Å; M20-Y23 VanDerWaalsContact O-N 3.14Å; M20-Y23 HydrophobicContact SD-CD2 3.97Å; M20-A24 PolarHBondContact O-N 3.1Å; M20-I30 HydrophobicContact SD-CD1 3.78Å; M20-Y114 HydrophobicContact CE-CD1 3.99Å; M20-Y114 HydrophobicContact CE-CD2 3.96Å; M20-Y114 HydrophobicContact CE-CG 3.62Å; M20-Y114 HydrophobicContact SD-CD2 4.39Å
21	A	88.1	Confident	91.8	Very high	67 Å²	67	49 Å²	49	55%	0.554	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-65.5	-28.3	173.6	0	0	0	0	0	111.7	L18 I19 Y23	L18-A21 HydrophobicContact CB-CB 3.98Å; L18-A21 WeakPolarHBondContact O-CB 3.38Å; L18-A21 PolarHBondContact O-N 3.1Å; L18-A21 VanDerWaalsContact O-N 3.14Å; I19-A21 PolarHBondContact O-N 3.22Å; A21-Y23 PolarHBondContact O-N 2.73Å
22	N	87.9	Confident	92	Very high	109 Å²	109	43.6 Å²	43.6	58%	0.583	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-74	-11.8	176.6	-62	-34.8	0	0	0	113.4	I19 M20	I19-N22 WeakPolarHBondContact O-CB 3.27Å; I19-N22 PolarHBondContact O-N 3.13Å; I19-N22 VanDerWaalsContact O-N 3.15Å; M20-N22 PolarHBondContact O-N 2.83Å
23	Y	91	Very high	92.2	Very high	10 Å²	10	43.4 Å²	43.4	4%	0.039	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-119.7	14.2	-173.3	-48.7	-50.2	0	0	0	113.3	I19 M20 A21 G25 Y26 T28 K63 V65 D90	I19-Y23 HydrophobicContact CG2-CD2 4.31Å; I19-Y23 HydrophobicContact CG2-CE2 3.59Å; I19-Y23 WeakPolarHBondContact O-CD2 3.36Å; I19-Y23 WeakPolarHBondContact O-CE2 3.13Å; M20-Y23 PolarHBondContact O-N 3.36Å; M20-Y23 VanDerWaalsContact O-N 3.14Å; M20-Y23 HydrophobicContact SD-CD2 3.97Å; A21-Y23 PolarHBondContact O-N 2.73Å; Y23-G25 PolarHBondContact O-N 3.32Å; Y23-Y26 WeakPolarHBondContact O-CB 3.15Å; Y23-Y26 PolarHBondContact O-N 3.18Å; Y23-T28 WeakPolarHBondContact CB-OG1 3.3Å; Y23-T28 HydrophobicContact CD2-CG2 4.01Å; Y23-T28 HydrophobicContact CG-CG2 4.12Å; Y23-K63 HydrophobicContact CD1-CB 4.3Å; Y23-K63 HydrophobicContact CD1-CG 4.15Å; Y23-V65 HydrophobicContact CD2-CG2 4.31Å; Y23-V65 HydrophobicContact CE1-CG2 4.16Å; Y23-V65 HydrophobicContact CE2-CG2 3.6Å; Y23-D90 WeakPolarHBondContact CE1-OD2 3.44Å; Y23-D90 VanDerWaalsContact CZ-OD2 3.27Å; Y23-D90 WeakPolarHBondContact OH-CB 3.31Å; Y23-D90 PolarHBondContact OH-OD2 3.45Å
24	A	85.5	Confident	92.1	Very high	71 Å²	71	44.2 Å²	44.2	59%	0.587	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	130.8	175.1	0	0	0	0	0	111.1	M20 Y26	M20-A24 PolarHBondContact O-N 3.1Å; A24-Y26 VanDerWaalsContact C-N 3.32Å; A24-Y26 VanDerWaalsContact O-CD2 3.25Å; A24-Y26 WeakPolarHBondContact O-CD2 3.47Å
25	G	86.9	Confident	92.2	Very high	45 Å²	45	42.2 Å²	42.2	46%	0.464	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	-6.4	-177.3	0	0	0	0	0	115.3	Y23 R116	Y23-G25 PolarHBondContact O-N 3.32Å; G25-R116 WeakPolarHBondContact CA-O 3.06Å; G25-R116 PolarHBondContact N-O 3.34Å
26	Y	91.9	Very high	92.1	Very high	80 Å²	80	41.9 Å²	41.9	31%	0.314	25%	0.25	S	C	.	.	S	Bend	trans	-103.7	141.2	179	-61.8	-99.2	0	0	0	111	Y23 A24 T28 P61 K63	Y23-Y26 WeakPolarHBondContact O-CB 3.15Å; Y23-Y26 PolarHBondContact O-N 3.18Å; A24-Y26 VanDerWaalsContact C-N 3.32Å; A24-Y26 VanDerWaalsContact O-CD2 3.25Å; A24-Y26 WeakPolarHBondContact O-CD2 3.47Å; Y26-T28 PolarHBondContact O-N 3.22Å; Y26-T28 PolarHBondContact O-OG1 2.95Å; Y26-P61 HydrophobicContact CD1-CB 3.45Å; Y26-P61 VanDerWaalsContact CD1-CB 3.45Å; Y26-P61 HydrophobicContact CD1-CG 3.24Å; Y26-P61 HydrophobicContact CE1-CB 3.41Å; Y26-P61 VanDerWaalsContact CE1-CB 3.41Å; Y26-P61 HydrophobicContact CE1-CG 3.14Å; Y26-P61 HydrophobicContact CG-CG 4.28Å; Y26-K63 HydrophobicContact CD1-CD 4.29Å; Y26-K63 HydrophobicContact CD1-CG 3.57Å; Y26-K63 HydrophobicContact CD2-CG 4.48Å; Y26-K63 HydrophobicContact CE1-CG 4.32Å; Y26-K63 HydrophobicContact CG-CG 3.69Å
27	V	93.1	Very high	92.1	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	124.5	159.2	176.5	0	0	0	0	107.4	T62 K63 V113 Y114 R116 L140 T143	V27-T62 CarbonylContact O-C 3.05Å; V27-T62 WeakPolarHBondContact O-CA 3.06Å; V27-K63 PolarHBondContact O-N 3.33Å; V27-V113 HydrophobicContact CG1-CG1 4.33Å; V27-Y114 WeakPolarHBondContact CA-O 3.33Å; V27-R116 HydrophobicContact CG2-CG 4.01Å; V27-L140 HydrophobicContact CG1-CD2 3.75Å; V27-T143 HydrophobicContact CB-CG2 4.5Å; V27-T143 HydrophobicContact CG1-CG2 3.78Å; V27-T143 HydrophobicContact CG2-CG2 4.01Å
28	T	96.7	Very high	91.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.6	-169	-55.7	0	0	0	0	111.2	Y23 Y26 I30 K63 V65 V113 Y114	Y23-T28 WeakPolarHBondContact CB-OG1 3.3Å; Y23-T28 HydrophobicContact CD2-CG2 4.01Å; Y23-T28 HydrophobicContact CG-CG2 4.12Å; Y26-T28 PolarHBondContact O-N 3.22Å; Y26-T28 PolarHBondContact O-OG1 2.95Å; T28-I30 HydrophobicContact CG2-CG1 4.32Å; T28-K63 CarbonylContact C-O 3.54Å; T28-K63 WeakPolarHBondContact CA-O 3.38Å; T28-K63 HydrophobicContact CG2-CB 4.13Å; T28-V65 HydrophobicContact CG2-CG2 4.04Å; T28-V113 CarbonylContact O-C 3.55Å; T28-V113 WeakPolarHBondContact O-CA 3.36Å; T28-Y114 PolarHBondContact N-O 2.97Å; T28-Y114 PolarHBondContact O-N 3.08Å
29	L	97.7	Very high	91.2	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.7	167.9	-174.8	77.2	0	0	0	109.2	L47 K63 F64 V65 F111 F112 V113 T136 L140	L29-L47 HydrophobicContact CD2-CD2 3.44Å; L29-L47 VanDerWaalsContact CD2-CD2 3.44Å; L29-K63 PolarHBondContact N-O 2.66Å; L29-F64 HydrophobicContact CB-CD1 4.13Å; L29-F64 HydrophobicContact CB-CE1 4.4Å; L29-F64 HydrophobicContact CD2-CD1 3.61Å; L29-F64 HydrophobicContact CD2-CE1 3.72Å; L29-V65 PolarHBondContact O-N 3.46Å; L29-F111 HydrophobicContact CD1-CB 4.01Å; L29-F111 HydrophobicContact CD1-CD2 4.3Å; L29-F111 HydrophobicContact CD1-CG 4.41Å; L29-F111 HydrophobicContact CD2-CD2 4.45Å; L29-F112 CarbonylContact C-O 3.57Å; L29-F112 WeakPolarHBondContact CA-O 3.27Å; L29-V113 HydrophobicContact CD1-CG2 3.56Å; L29-T136 HydrophobicContact CD1-CG2 3.99Å; L29-T136 HydrophobicContact CD2-CG2 3.94Å; L29-L140 HydrophobicContact CB-CD2 4.3Å
30	I	98	Very high	90.9	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.7	165.6	-58.3	-175.7	0	0	0	108.1	I12 M20 T28 L32 V65 V67 L104 F111 F112 Y114	I12-I30 HydrophobicContact CD1-CD1 4.48Å; M20-I30 HydrophobicContact SD-CD1 3.78Å; T28-I30 HydrophobicContact CG2-CG1 4.32Å; I30-L32 HydrophobicContact CG2-CD2 4.27Å; I30-V65 CarbonylContact C-O 3.57Å; I30-V65 WeakPolarHBondContact CA-O 3.49Å; I30-V65 HydrophobicContact CG1-CB 4.28Å; I30-V67 HydrophobicContact CG2-CG2 3.7Å; I30-L104 HydrophobicContact CG2-CD1 4.29Å; I30-F111 CarbonylContact O-C 3.56Å; I30-F111 VanDerWaalsContact O-CA 3.31Å; I30-F111 WeakPolarHBondContact O-CA 3.33Å; I30-F112 HydrophobicContact CB-CB 4.29Å; I30-F112 PolarHBondContact N-O 2.9Å; I30-F112 PolarHBondContact O-N 2.91Å; I30-Y114 HydrophobicContact CD1-CD2 4.24Å; I30-Y114 HydrophobicContact CD1-CE2 3.81Å; I30-Y114 HydrophobicContact CG1-CD2 4.36Å; I30-Y114 HydrophobicContact CG1-CE2 4.24Å
31	A	98.2	Very high	90.7	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119.4	179.3	0	0	0	0	0	110.5	I33 L47 V65 I66 V67 F111	A31-I33 HydrophobicContact CB-CD1 3.71Å; A31-I33 HydrophobicContact CB-CG1 3.88Å; A31-I33 PolarHBondContact O-N 2.95Å; A31-L47 HydrophobicContact CB-CD1 4.04Å; A31-V65 PolarHBondContact N-O 3.39Å; A31-I66 WeakPolarHBondContact O-CA 3.25Å; A31-V67 PolarHBondContact O-N 3.44Å; A31-F111 HydrophobicContact CB-CD1 3.48Å; A31-F111 VanDerWaalsContact CB-CD1 3.48Å; A31-F111 HydrophobicContact CB-CE1 3.47Å; A31-F111 VanDerWaalsContact CB-CE1 3.47Å; A31-F111 HydrophobicContact CB-CG 4.24Å; A31-F111 HydrophobicContact CB-CZ 4.19Å
32	L	97	Very high	90.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	99.1	176.6	-56.7	-169.8	0	0	0	109	I30 V67 W101 L104 G107 F109 D110 F112	I30-L32 HydrophobicContact CG2-CD2 4.27Å; L32-V67 HydrophobicContact CD2-CB 3.82Å; L32-V67 HydrophobicContact CD2-CG1 4.35Å; L32-V67 HydrophobicContact CD2-CG2 4.28Å; L32-W101 HydrophobicContact CB-CD2 4.07Å; L32-W101 HydrophobicContact CB-CE3 4.28Å; L32-W101 HydrophobicContact CB-CH2 4Å; L32-W101 HydrophobicContact CB-CZ2 3.75Å; L32-W101 HydrophobicContact CB-CZ3 4.26Å; L32-W101 HydrophobicContact CD1-CB 4.32Å; L32-W101 HydrophobicContact CD1-CD2 3.9Å; L32-W101 HydrophobicContact CD1-CE3 4.14Å; L32-W101 HydrophobicContact CD1-CG 3.99Å; L32-W101 HydrophobicContact CD2-CD2 4.34Å; L32-W101 HydrophobicContact CD2-CG 4.2Å; L32-W101 HydrophobicContact CG-CD2 4.32Å; L32-L104 HydrophobicContact CD2-CD1 4.01Å; L32-G107 WeakPolarHBondContact CB-O 3.3Å; L32-F109 WeakPolarHBondContact O-CA 3.42Å; L32-F109 PolarHBondContact O-N 2.8Å; L32-D110 PolarHBondContact N-O 3.01Å; L32-F112 HydrophobicContact CD1-CE2 3.83Å; L32-F112 HydrophobicContact CG-CE2 4.04Å
33	I	95.6	Very high	90.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.208	C	C	.	.			trans	-133.7	127.4	-171.3	-49.8	176.4	0	0	0	109.7	A31 C40 I44 L47 I66 V67 F109 F111	A31-I33 HydrophobicContact CB-CD1 3.71Å; A31-I33 HydrophobicContact CB-CG1 3.88Å; A31-I33 PolarHBondContact O-N 2.95Å; I33-C40 HydrophobicContact CG2-CB 4.07Å; I33-I44 HydrophobicContact CD1-CG1 4.23Å; I33-I44 HydrophobicContact CG2-CD1 4.47Å; I33-I44 HydrophobicContact CG2-CG1 4.45Å; I33-L47 HydrophobicContact CD1-CD1 3.7Å; I33-I66 HydrophobicContact CB-CG2 4.13Å; I33-I66 HydrophobicContact CD1-CG1 4.42Å; I33-V67 PolarHBondContact N-O 3.06Å; I33-V67 VanDerWaalsContact N-O 3.15Å; I33-F109 HydrophobicContact CB-CD1 4.42Å; I33-F109 HydrophobicContact CB-CE1 4.49Å; I33-F109 HydrophobicContact CG1-CD1 4.29Å; I33-F109 HydrophobicContact CG2-CD1 3.92Å; I33-F109 HydrophobicContact CG2-CE1 3.59Å; I33-F111 HydrophobicContact CD1-CE1 4.09Å; I33-F111 HydrophobicContact CD1-CZ 4.4Å; I33-F111 HydrophobicContact CG1-CE1 4.14Å
34	E	92.4	Very high	90.4	Very high	60 Å²	60	38 Å²	38	28%	0.28	21%	0.206	S	C	.	.			trans	-62.6	156.8	159.5	-76.4	171.3	-155.2	0	0	110.7	C40 P69 E72 K108	E34-C40 WeakPolarHBondContact O-CB 3.25Å; E34-C40 PolarHBondContact O-SG 3.21Å; E34-P69 HydrophobicContact CG-CG 3.8Å; E34-E72 WeakPolarHBondContact CA-OE2 3.06Å; E34-K108 WeakPolarHBondContact OE1-CD 3.35Å; E34-K108 VanDerWaalsContact OE1-CE 3.25Å; E34-K108 WeakPolarHBondContact OE1-CE 3.38Å; E34-K108 IonicContact OE1-NZ 3Å; E34-K108 PolarHBondContact OE1-NZ 2.75Å; E34-K108 VanDerWaalsContact OE2-CE 3.27Å; E34-K108 WeakPolarHBondContact OE2-CE 3.41Å; E34-K108 IonicContact OE2-NZ 3.3Å; E34-K108 PolarHBondContact OE2-NZ 3.07Å
35	L	93.4	Very high	90.6	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.191	C	C	.	.	S	Bend	trans	-113.8	-18.2	-174.8	-57.2	-177.7	0	0	0	113	C37 I44 I66 A68 E72 F76 V77 Y80 V91	L35-C37 VanDerWaalsContact C-N 3.33Å; L35-C37 PolarHBondContact O-N 3Å; L35-I44 HydrophobicContact CD2-CD1 3.69Å; L35-I66 HydrophobicContact CD2-CG2 4.1Å; L35-A68 HydrophobicContact CD1-CB 3.99Å; L35-A68 HydrophobicContact CG-CB 4.21Å; L35-E72 HydrophobicContact CB-CG 4.09Å; L35-E72 HydrophobicContact CD1-CG 4.09Å; L35-E72 HydrophobicContact CG-CG 4.1Å; L35-E72 PolarHBondContact N-OE2 3.2Å; L35-F76 HydrophobicContact CB-CB 3.94Å; L35-V77 HydrophobicContact CD1-CB 4.31Å; L35-V77 HydrophobicContact CD1-CG2 3.74Å; L35-Y80 HydrophobicContact CB-CD2 3.88Å; L35-Y80 HydrophobicContact CB-CE2 4.02Å; L35-Y80 HydrophobicContact CD1-CD2 4.04Å; L35-Y80 HydrophobicContact CD2-CD2 3.95Å; L35-Y80 HydrophobicContact CD2-CE2 4.38Å; L35-Y80 HydrophobicContact CD2-CG 4.32Å; L35-Y80 HydrophobicContact CG-CD2 4.18Å; L35-V91 HydrophobicContact CD1-CG1 4.43Å
36	Q	87.5	Confident	90.7	Very high	104 Å²	104	36.1 Å²	36.1	49%	0.486	18%	0.177	S	C	.	.	S	Bend	trans	-87.7	24.2	-174	-78	177.5	101.8	0	0	114.9	E72 S73 F76	Q36-E72 VanDerWaalsContact CD-OE1 3.29Å; Q36-E72 WeakPolarHBondContact CG-OE1 3.39Å; Q36-E72 PolarHBondContact NE2-OE1 3.3Å; Q36-S73 VanDerWaalsContact CD-CB 3.45Å; Q36-F76 HydrophobicContact CG-CB 4.32Å; Q36-F76 HydrophobicContact CG-CD1 4.31Å; Q36-F76 HydrophobicContact CG-CD2 3.41Å; Q36-F76 VanDerWaalsContact CG-CD2 3.41Å; Q36-F76 HydrophobicContact CG-CE2 3.63Å; Q36-F76 HydrophobicContact CG-CG 3.76Å; Q36-F76 HydrophobicContact CG-CZ 4.18Å
37	C	86.1	Confident	90.8	Very high	40 Å²	40	32.3 Å²	32.3	27%	0.27	16%	0.162	S	C	.	.	S	Bend	trans	-135.9	151.3	-175.7	92.7	0	0	0	0	114.7	L35 F39 C40 R41	L35-C37 VanDerWaalsContact C-N 3.33Å; L35-C37 PolarHBondContact O-N 3Å; C37-F39 VanDerWaalsContact C-N 3.35Å; C37-F39 PolarHBondContact O-N 2.93Å; C37-C40 HydrophobicContact CB-CB 4.17Å; C37-C40 WeakPolarHBondContact CB-SG 3.42Å; C37-C40 WeakPolarHBondContact O-CB 3.37Å; C37-C40 PolarHBondContact O-N 3.24Å; C37-C40 WeakPolarHBondContact SG-CB 3.17Å; C37-C40 PolarHBondContact SG-N 2.73Å; C37-C40 CovalentContact SG-SG 2.05Å; C37-C40 PolarHBondContact SG-SG 3.25Å; C37-R41 PolarHBondContact O-N 3.41Å; C37-R41 VanDerWaalsContact O-N 3.08Å
38	N	83.9	Confident	90.8	Very high	144 Å²	144	33 Å²	33	77%	0.77	17%	0.165	S	C	*	.	H	α-helix	trans	-62.9	-41.2	-179.7	-73.8	-31.1	0	0	0	112.4	C40 R41 S42	N38-C40 VanDerWaalsContact C-N 3.3Å; N38-C40 PolarHBondContact O-N 3.05Å; N38-R41 PolarHBondContact O-N 3.31Å; N38-S42 PolarHBondContact O-N 3.06Å; N38-S42 VanDerWaalsContact O-N 3.11Å
39	F	80.5	Confident	90.5	Very high	61 Å²	61	38.8 Å²	38.8	27%	0.268	19%	0.191	S	C	.	.	H	α-helix	trans	-62.3	-40.5	175.4	178.8	-100.2	0	0	0	111.5	C37 R41 S42 Q43 F109 Y126 F130	C37-F39 VanDerWaalsContact C-N 3.35Å; C37-F39 PolarHBondContact O-N 2.93Å; F39-R41 VanDerWaalsContact C-N 3.34Å; F39-R41 PolarHBondContact O-N 2.83Å; F39-S42 WeakPolarHBondContact O-CA 3.17Å; F39-S42 WeakPolarHBondContact O-CB 3.24Å; F39-S42 PolarHBondContact O-N 2.98Å; F39-S42 VanDerWaalsContact O-N 3.08Å; F39-Q43 HydrophobicContact CD1-CG 3.98Å; F39-Q43 HydrophobicContact CE1-CG 3.52Å; F39-Q43 HydrophobicContact CE2-CG 4.38Å; F39-Q43 HydrophobicContact CZ-CG 3.74Å; F39-Q43 WeakPolarHBondContact O-CG 3.27Å; F39-Q43 PolarHBondContact O-N 2.97Å; F39-F109 HydrophobicContact CD1-CD1 4.44Å; F39-F109 HydrophobicContact CD1-CD2 4.24Å; F39-F109 AromaticContact CD1-CE1 3.82Å; F39-F109 HydrophobicContact CD1-CE1 3.82Å; F39-F109 AromaticContact CD1-CE2 3.58Å; F39-F109 HydrophobicContact CD1-CE2 3.58Å; F39-F109 AromaticContact CD1-CZ 3.38Å; F39-F109 HydrophobicContact CD1-CZ 3.38Å; F39-F109 HydrophobicContact CE1-CD1 4.07Å; F39-F109 AromaticContact CE1-CD2 3.81Å; F39-F109 HydrophobicContact CE1-CD2 3.81Å; F39-F109 AromaticContact CE1-CE1 3.92Å; F39-F109 HydrophobicContact CE1-CE1 3.92Å; F39-F109 AromaticContact CE1-CE2 3.63Å; F39-F109 HydrophobicContact CE1-CE2 3.63Å; F39-F109 HydrophobicContact CE1-CG 4.05Å; F39-F109 AromaticContact CE1-CZ 3.74Å; F39-F109 HydrophobicContact CE1-CZ 3.74Å; F39-Y126 HydrophobicContact CE1-CE2 4.13Å; F39-Y126 HydrophobicContact CZ-CE2 4.08Å; F39-F130 HydrophobicContact CD2-CE2 4.37Å; F39-F130 AromaticContact CE2-CD2 3.62Å; F39-F130 HydrophobicContact CE2-CD2 3.62Å; F39-F130 HydrophobicContact CE2-CE1 4.39Å; F39-F130 AromaticContact CE2-CE2 3.31Å; F39-F130 HydrophobicContact CE2-CE2 3.31Å; F39-F130 HydrophobicContact CE2-CG 4.33Å; F39-F130 AromaticContact CE2-CZ 3.74Å; F39-F130 HydrophobicContact CE2-CZ 3.74Å; F39-F130 AromaticContact CZ-CD2 3.59Å; F39-F130 HydrophobicContact CZ-CD2 3.59Å; F39-F130 AromaticContact CZ-CE2 3.81Å; F39-F130 HydrophobicContact CZ-CE2 3.81Å; F39-F130 HydrophobicContact CZ-CG 4.15Å; F39-F130 HydrophobicContact CZ-CZ 4.49Å
40	C	87.1	Confident	90.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57	-48.3	176.5	-54	0	0	0	0	110.8	I33 E34 C37 N38 S42 Q43 I44 F109	I33-C40 HydrophobicContact CG2-CB 4.07Å; E34-C40 WeakPolarHBondContact O-CB 3.25Å; E34-C40 PolarHBondContact O-SG 3.21Å; C37-C40 HydrophobicContact CB-CB 4.17Å; C37-C40 WeakPolarHBondContact CB-SG 3.42Å; C37-C40 WeakPolarHBondContact O-CB 3.37Å; C37-C40 PolarHBondContact O-N 3.24Å; C37-C40 WeakPolarHBondContact SG-CB 3.17Å; C37-C40 PolarHBondContact SG-N 2.73Å; C37-C40 CovalentContact SG-SG 2.05Å; C37-C40 PolarHBondContact SG-SG 3.25Å; N38-C40 VanDerWaalsContact C-N 3.3Å; N38-C40 PolarHBondContact O-N 3.05Å; C40-S42 VanDerWaalsContact C-N 3.31Å; C40-S42 PolarHBondContact O-N 2.76Å; C40-Q43 PolarHBondContact O-N 2.95Å; C40-I44 VanDerWaalsContact O-CG1 3.26Å; C40-I44 WeakPolarHBondContact O-CG1 3.34Å; C40-I44 PolarHBondContact O-N 2.88Å; C40-F109 HydrophobicContact CB-CE1 4.49Å
41	R	86	Confident	89.8	Confident	144 Å²	144	39.2 Å²	39.2	54%	0.543	19%	0.194	S	C	.	.	H	α-helix	trans	-58.2	-42.1	174.7	-177	179.6	178.9	-166.1	-0.3	112.1	C37 N38 F39 N45	C37-R41 PolarHBondContact O-N 3.41Å; C37-R41 VanDerWaalsContact O-N 3.08Å; N38-R41 PolarHBondContact O-N 3.31Å; F39-R41 VanDerWaalsContact C-N 3.34Å; F39-R41 PolarHBondContact O-N 2.83Å; R41-N45 WeakPolarHBondContact O-CB 3.34Å; R41-N45 PolarHBondContact O-N 3.3Å; R41-N45 PolarHBondContact O-ND2 2.87Å
42	S	83.3	Confident	89.5	Confident	44 Å²	44	42.9 Å²	42.9	31%	0.308	21%	0.211	S	C	.	.	H	α-helix	trans	-63.2	-45.3	176	-176.5	0	0	0	0	112	N38 F39 C40 N45 S46	N38-S42 PolarHBondContact O-N 3.06Å; N38-S42 VanDerWaalsContact O-N 3.11Å; F39-S42 WeakPolarHBondContact O-CA 3.17Å; F39-S42 WeakPolarHBondContact O-CB 3.24Å; F39-S42 PolarHBondContact O-N 2.98Å; F39-S42 VanDerWaalsContact O-N 3.08Å; C40-S42 VanDerWaalsContact C-N 3.31Å; C40-S42 PolarHBondContact O-N 2.76Å; S42-N45 PolarHBondContact O-N 3.41Å; S42-S46 PolarHBondContact O-N 3.08Å; S42-S46 PolarHBondContact O-OG 2.05Å
43	Q	86.1	Confident	88.9	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-59.8	-47.9	175.6	-66.7	-50.9	-82.3	0	0	112.1	F39 C40 N45 S46 L47 M131	F39-Q43 HydrophobicContact CD1-CG 3.98Å; F39-Q43 HydrophobicContact CE1-CG 3.52Å; F39-Q43 HydrophobicContact CE2-CG 4.38Å; F39-Q43 HydrophobicContact CZ-CG 3.74Å; F39-Q43 WeakPolarHBondContact O-CG 3.27Å; F39-Q43 PolarHBondContact O-N 2.97Å; C40-Q43 PolarHBondContact O-N 2.95Å; Q43-N45 PolarHBondContact O-N 3.45Å; Q43-S46 PolarHBondContact O-N 3.48Å; Q43-L47 WeakPolarHBondContact O-CG 3.35Å; Q43-L47 PolarHBondContact O-N 3.44Å; Q43-M131 VanDerWaalsContact OE1-CG 3.29Å
44	I	91.9	Very high	88.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.9	-43.1	179.7	-67.3	169.9	0	0	0	111.1	I33 L35 C40 S46 L47 L48 I66 Y80 L84	I33-I44 HydrophobicContact CD1-CG1 4.23Å; I33-I44 HydrophobicContact CG2-CD1 4.47Å; I33-I44 HydrophobicContact CG2-CG1 4.45Å; L35-I44 HydrophobicContact CD2-CD1 3.69Å; C40-I44 VanDerWaalsContact O-CG1 3.26Å; C40-I44 WeakPolarHBondContact O-CG1 3.34Å; C40-I44 PolarHBondContact O-N 2.88Å; I44-S46 VanDerWaalsContact C-N 3.3Å; I44-S46 PolarHBondContact O-N 2.61Å; I44-L47 PolarHBondContact O-N 3.35Å; I44-L48 PolarHBondContact O-N 3.15Å; I44-I66 HydrophobicContact CD1-CD1 4.43Å; I44-I66 HydrophobicContact CG1-CD1 3.99Å; I44-I66 HydrophobicContact CG2-CD1 4.19Å; I44-Y80 HydrophobicContact CB-CE1 4.41Å; I44-Y80 HydrophobicContact CD1-CD1 3.99Å; I44-Y80 HydrophobicContact CD1-CE1 3.67Å; I44-Y80 HydrophobicContact CD1-CE2 4.26Å; I44-Y80 HydrophobicContact CD1-CG 4.42Å; I44-Y80 HydrophobicContact CG2-CD1 4.11Å; I44-Y80 HydrophobicContact CG2-CE1 3.88Å; I44-L84 HydrophobicContact CG2-CD1 3.81Å; I44-L84 HydrophobicContact CG2-CD2 3.96Å; I44-L84 HydrophobicContact CG2-CG 4.43Å
45	N	89.6	Confident	88.3	Confident	51 Å²	51	48.7 Å²	48.7	27%	0.273	24%	0.236	S	C	.	.	H	α-helix	trans	-63.1	-37.7	176.8	-74.1	-19.7	0	0	0	112.2	R41 S42 Q43 L48 K49	R41-N45 WeakPolarHBondContact O-CB 3.34Å; R41-N45 PolarHBondContact O-N 3.3Å; R41-N45 PolarHBondContact O-ND2 2.87Å; S42-N45 PolarHBondContact O-N 3.41Å; Q43-N45 PolarHBondContact O-N 3.45Å; N45-L48 PolarHBondContact O-N 3.49Å; N45-K49 WeakPolarHBondContact O-CG 3.34Å; N45-K49 PolarHBondContact O-N 3.34Å; N45-K49 VanDerWaalsContact O-N 3.12Å
46	S	88.9	Confident	87.9	Confident	24 Å²	24	53.7 Å²	53.7	17%	0.168	26%	0.259	C	S	.	.	H	α-helix	trans	-68.5	-40.5	175	-65.1	0	0	0	0	111.7	S42 Q43 I44 L48 K49 L50 Y204	S42-S46 PolarHBondContact O-N 3.08Å; S42-S46 PolarHBondContact O-OG 2.05Å; Q43-S46 PolarHBondContact O-N 3.48Å; I44-S46 VanDerWaalsContact C-N 3.3Å; I44-S46 PolarHBondContact O-N 2.61Å; S46-L48 VanDerWaalsContact C-N 3.32Å; S46-L48 PolarHBondContact O-N 3.29Å; S46-K49 PolarHBondContact O-N 2.81Å; S46-L50 WeakPolarHBondContact O-CB 3.46Å; S46-L50 PolarHBondContact O-N 2.97Å; S46-Y204 PolarHBondContact O-OH 3.19Å
47	L	93.7	Very high	87.5	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-39.7	172.8	-73.1	175.2	0	0	0	112.1	L29 A31 I33 Q43 I44 L50 S51 F64 F89 F111 M131 T136	L29-L47 HydrophobicContact CD2-CD2 3.44Å; L29-L47 VanDerWaalsContact CD2-CD2 3.44Å; A31-L47 HydrophobicContact CB-CD1 4.04Å; I33-L47 HydrophobicContact CD1-CD1 3.7Å; Q43-L47 WeakPolarHBondContact O-CG 3.35Å; Q43-L47 PolarHBondContact O-N 3.44Å; I44-L47 PolarHBondContact O-N 3.35Å; L47-L50 WeakPolarHBondContact O-CB 3.42Å; L47-L50 PolarHBondContact O-N 3.25Å; L47-S51 PolarHBondContact O-N 2.8Å; L47-F64 HydrophobicContact CD2-CD1 4.31Å; L47-F64 HydrophobicContact CD2-CE1 4.34Å; L47-F89 HydrophobicContact CB-CE1 4.07Å; L47-F89 HydrophobicContact CB-CZ 4.13Å; L47-F111 HydrophobicContact CD1-CZ 4.15Å; L47-F111 HydrophobicContact CD2-CE2 4.04Å; L47-F111 HydrophobicContact CD2-CZ 4.39Å; L47-M131 HydrophobicContact CD2-CE 4.01Å; L47-M131 HydrophobicContact CD2-SD 3.64Å; L47-M131 HydrophobicContact CG-CE 4.48Å; L47-M131 HydrophobicContact CG-CG 4.48Å; L47-M131 HydrophobicContact CG-SD 4.18Å; L47-T136 HydrophobicContact CD2-CG2 4.46Å
48	L	93.3	Very high	87.2	Confident	14 Å²	14	47.5 Å²	47.5	7%	0.073	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-47.4	175.3	-175.2	163	0	0	0	111.3	I44 N45 S46 L50 S51 Q52 Y83 L84 Y87	I44-L48 PolarHBondContact O-N 3.15Å; N45-L48 PolarHBondContact O-N 3.49Å; S46-L48 VanDerWaalsContact C-N 3.32Å; S46-L48 PolarHBondContact O-N 3.29Å; L48-L50 VanDerWaalsContact C-N 3.28Å; L48-L50 PolarHBondContact O-N 2.84Å; L48-S51 PolarHBondContact O-N 3.32Å; L48-S51 PolarHBondContact O-OG 2.91Å; L48-Q52 HydrophobicContact CD2-CG 4.42Å; L48-Q52 WeakPolarHBondContact O-CG 3.4Å; L48-Q52 PolarHBondContact O-N 2.99Å; L48-Y83 HydrophobicContact CD1-CE1 4.21Å; L48-L84 HydrophobicContact CD1-CD2 3.94Å; L48-Y87 HydrophobicContact CD1-CD1 4.36Å; L48-Y87 HydrophobicContact CD1-CD2 3.79Å; L48-Y87 HydrophobicContact CD1-CE1 4.3Å; L48-Y87 HydrophobicContact CD1-CE2 3.72Å; L48-Y87 HydrophobicContact CD1-CG 4.11Å; L48-Y87 HydrophobicContact CD2-CD1 4.03Å; L48-Y87 HydrophobicContact CD2-CE1 3.9Å; L48-Y87 HydrophobicContact CG-CD1 4.04Å; L48-Y87 HydrophobicContact CG-CD2 4.24Å; L48-Y87 HydrophobicContact CG-CE1 4.25Å; L48-Y87 HydrophobicContact CG-CE2 4.43Å; L48-Y87 HydrophobicContact CG-CG 4.03Å
49	K	89.9	Confident	87	Confident	122 Å²	122	47 Å²	47	53%	0.53	22%	0.223	S	C	.	.	H	α-helix	trans	-60.5	-40.7	174.9	-70.7	173.1	-176.4	176.5	0	111.4	N45 S46 Q52 L53 Y204	N45-K49 WeakPolarHBondContact O-CG 3.34Å; N45-K49 PolarHBondContact O-N 3.34Å; N45-K49 VanDerWaalsContact O-N 3.12Å; S46-K49 PolarHBondContact O-N 2.81Å; K49-Q52 PolarHBondContact O-N 3.13Å; K49-L53 PolarHBondContact O-N 2.89Å; K49-L53 VanDerWaalsContact O-N 3.07Å; K49-Y204 HydrophobicContact CB-CD2 4Å; K49-Y204 HydrophobicContact CB-CE2 3.61Å
50	L	89.9	Confident	86.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-42.3	177.4	-171.6	56.6	0	0	0	111.8	S46 L47 L48 Q52 L53 F54 F64 M131 T136 I137 L140 Y204	S46-L50 WeakPolarHBondContact O-CB 3.46Å; S46-L50 PolarHBondContact O-N 2.97Å; L47-L50 WeakPolarHBondContact O-CB 3.42Å; L47-L50 PolarHBondContact O-N 3.25Å; L48-L50 VanDerWaalsContact C-N 3.28Å; L48-L50 PolarHBondContact O-N 2.84Å; L50-Q52 VanDerWaalsContact C-N 3.33Å; L50-Q52 PolarHBondContact O-N 3.33Å; L50-L53 HydrophobicContact CD1-CD2 4.31Å; L50-L53 WeakPolarHBondContact O-CB 3.47Å; L50-L53 PolarHBondContact O-N 3.37Å; L50-F54 HydrophobicContact CD1-CD2 3.79Å; L50-F54 HydrophobicContact CD1-CE2 3.62Å; L50-F54 HydrophobicContact CG-CD2 3.99Å; L50-F54 HydrophobicContact CG-CE2 4.05Å; L50-F54 WeakPolarHBondContact O-CD2 3.35Å; L50-F54 PolarHBondContact O-N 2.61Å; L50-F64 HydrophobicContact CB-CE1 4.46Å; L50-F64 HydrophobicContact CD2-CE1 4.27Å; L50-F64 HydrophobicContact CG-CE1 4.28Å; L50-F64 HydrophobicContact CG-CZ 4.25Å; L50-M131 HydrophobicContact CB-CE 4.22Å; L50-M131 HydrophobicContact CD2-CE 3.77Å; L50-T136 HydrophobicContact CD2-CG2 3.98Å; L50-I137 HydrophobicContact CD1-CB 4.03Å; L50-I137 HydrophobicContact CD1-CD1 3.79Å; L50-I137 HydrophobicContact CD1-CG1 3.83Å; L50-I137 HydrophobicContact CD2-CB 4.43Å; L50-L140 HydrophobicContact CD2-CD1 3.86Å; L50-L140 HydrophobicContact CG-CD1 4.45Å; L50-Y204 HydrophobicContact CB-CE2 4.16Å; L50-Y204 HydrophobicContact CD1-CD1 4.35Å; L50-Y204 HydrophobicContact CD1-CE1 3.68Å; L50-Y204 HydrophobicContact CD1-CE2 4.47Å
51	S	92.6	Very high	86.6	Confident	12 Å²	12	51.3 Å²	51.3	8%	0.084	25%	0.25	C	C	.	.	H	α-helix	trans	-64.2	-39.7	-179.6	82.8	0	0	0	0	112	L47 L48 F54 K55 F64 F89	L47-S51 PolarHBondContact O-N 2.8Å; L48-S51 PolarHBondContact O-N 3.32Å; L48-S51 PolarHBondContact O-OG 2.91Å; S51-F54 PolarHBondContact O-N 3.3Å; S51-K55 WeakPolarHBondContact O-CB 3.41Å; S51-K55 PolarHBondContact O-N 3.48Å; S51-F64 VanDerWaalsContact CA-CE2 3.43Å; S51-F64 VanDerWaalsContact CB-CD2 3.47Å; S51-F89 VanDerWaalsContact OG-CE2 3.3Å; S51-F89 WeakPolarHBondContact OG-CE2 3.43Å
52	Q	90.1	Very high	86.9	Confident	77 Å²	77	45.7 Å²	45.7	36%	0.36	23%	0.231	S	C	.	.	H	α-helix	trans	-62.3	-44.9	173.8	-69.2	176.6	-37.1	0	0	111	L48 K49 L50 F54 K55 E56 Y87	L48-Q52 HydrophobicContact CD2-CG 4.42Å; L48-Q52 WeakPolarHBondContact O-CG 3.4Å; L48-Q52 PolarHBondContact O-N 2.99Å; K49-Q52 PolarHBondContact O-N 3.13Å; L50-Q52 VanDerWaalsContact C-N 3.33Å; L50-Q52 PolarHBondContact O-N 3.33Å; Q52-F54 VanDerWaalsContact C-N 3.34Å; Q52-F54 PolarHBondContact O-N 3.25Å; Q52-K55 WeakPolarHBondContact O-CB 3.35Å; Q52-K55 PolarHBondContact O-N 2.74Å; Q52-E56 WeakPolarHBondContact O-CG 3.43Å; Q52-E56 PolarHBondContact O-N 3.36Å; Q52-Y87 HydrophobicContact CG-CD1 4.41Å
53	L	85.5	Confident	87.5	Confident	8 Å²	8	45.8 Å²	45.8	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-44.4	178	-175.9	70.5	0	0	0	111.8	K49 L50 E56 N57 I137 A200 W201 Y204	K49-L53 PolarHBondContact O-N 2.89Å; K49-L53 VanDerWaalsContact O-N 3.07Å; L50-L53 HydrophobicContact CD1-CD2 4.31Å; L50-L53 WeakPolarHBondContact O-CB 3.47Å; L50-L53 PolarHBondContact O-N 3.37Å; L53-E56 PolarHBondContact O-N 3.33Å; L53-N57 WeakPolarHBondContact O-CB 3.32Å; L53-N57 PolarHBondContact O-N 3.16Å; L53-N57 PolarHBondContact O-ND2 3.15Å; L53-I137 HydrophobicContact CD2-CD1 4.22Å; L53-A200 HydrophobicContact CD1-CB 3.87Å; L53-W201 HydrophobicContact CD1-CB 4.45Å; L53-W201 HydrophobicContact CD1-CD2 4.15Å; L53-W201 HydrophobicContact CD1-CG 3.99Å; L53-W201 HydrophobicContact CD2-CD2 3.55Å; L53-W201 HydrophobicContact CD2-CE3 3.54Å; L53-W201 HydrophobicContact CD2-CG 4.2Å; L53-W201 HydrophobicContact CD2-CH2 3.8Å; L53-W201 HydrophobicContact CD2-CZ2 3.81Å; L53-W201 HydrophobicContact CD2-CZ3 3.71Å; L53-W201 HydrophobicContact CG-CD2 3.87Å; L53-W201 HydrophobicContact CG-CE3 4.36Å; L53-W201 HydrophobicContact CG-CG 4.24Å; L53-W201 HydrophobicContact CG-CH2 4.36Å; L53-W201 HydrophobicContact CG-CZ2 3.87Å; L53-Y204 HydrophobicContact CD2-CD1 3.74Å; L53-Y204 HydrophobicContact CD2-CD2 4.33Å; L53-Y204 HydrophobicContact CD2-CG 3.63Å
54	F	87.4	Confident	88.1	Confident	1 Å²	1	46.1 Å²	46.1	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-65.5	-40.9	175.8	-90	-90.6	0	0	0	112	L50 S51 Q52 E56 N57 Y58 I137 L140 H141 H144 W201	L50-F54 HydrophobicContact CD1-CD2 3.79Å; L50-F54 HydrophobicContact CD1-CE2 3.62Å; L50-F54 HydrophobicContact CG-CD2 3.99Å; L50-F54 HydrophobicContact CG-CE2 4.05Å; L50-F54 WeakPolarHBondContact O-CD2 3.35Å; L50-F54 PolarHBondContact O-N 2.61Å; S51-F54 PolarHBondContact O-N 3.3Å; Q52-F54 VanDerWaalsContact C-N 3.34Å; Q52-F54 PolarHBondContact O-N 3.25Å; F54-E56 VanDerWaalsContact C-N 3.33Å; F54-E56 PolarHBondContact O-N 3.14Å; F54-N57 PolarHBondContact O-N 3.36Å; F54-Y58 AromaticContact CD1-CD2 3.39Å; F54-Y58 HydrophobicContact CD1-CD2 3.39Å; F54-Y58 AromaticContact CD1-CE2 3.64Å; F54-Y58 HydrophobicContact CD1-CE2 3.64Å; F54-Y58 HydrophobicContact CD1-CG 4.18Å; F54-Y58 AromaticContact CE1-CD2 3.78Å; F54-Y58 HydrophobicContact CE1-CD2 3.78Å; F54-Y58 AromaticContact CE1-CE2 3.49Å; F54-Y58 HydrophobicContact CE1-CE2 3.49Å; F54-Y58 VanDerWaalsContact CE1-CE2 3.49Å; F54-Y58 HydrophobicContact CG-CD2 4.28Å; F54-Y58 HydrophobicContact CZ-CE2 4.42Å; F54-Y58 WeakPolarHBondContact O-CB 3.38Å; F54-Y58 PolarHBondContact O-N 2.96Å; F54-I137 HydrophobicContact CE2-CG1 4.43Å; F54-L140 HydrophobicContact CD2-CD1 4.41Å; F54-L140 HydrophobicContact CE1-CB 3.8Å; F54-L140 HydrophobicContact CE2-CB 3.79Å; F54-L140 HydrophobicContact CE2-CD1 3.92Å; F54-L140 HydrophobicContact CZ-CB 3.26Å; F54-L140 HydrophobicContact CZ-CD1 4.27Å; F54-L140 HydrophobicContact CZ-CG 4.37Å; F54-H141 AromaticContact CZ-ND1 3.97Å; F54-H144 AromaticContact CD1-CD2 3.82Å; F54-H144 AromaticContact CD1-NE2 3.85Å; F54-H144 AromaticContact CE1-CD2 3.61Å; F54-W201 HydrophobicContact CD1-CZ2 4.46Å; F54-W201 HydrophobicContact CD2-CH2 4.03Å; F54-W201 HydrophobicContact CD2-CZ2 4.1Å; F54-W201 HydrophobicContact CE1-CH2 4.23Å; F54-W201 HydrophobicContact CE1-CZ2 4.23Å; F54-W201 AromaticContact CE2-CH2 3.41Å; F54-W201 HydrophobicContact CE2-CH2 3.41Å; F54-W201 VanDerWaalsContact CE2-CH2 3.41Å; F54-W201 AromaticContact CE2-CZ2 3.89Å; F54-W201 HydrophobicContact CE2-CZ2 3.89Å; F54-W201 HydrophobicContact CG-CZ2 4.38Å; F54-W201 AromaticContact CZ-CH2 3.5Å; F54-W201 HydrophobicContact CZ-CH2 3.5Å; F54-W201 AromaticContact CZ-CZ2 3.93Å; F54-W201 HydrophobicContact CZ-CZ2 3.93Å
55	K	87.8	Confident	88.3	Confident	173 Å²	173	46.2 Å²	46.2	75%	0.752	23%	0.228	S	C	*	.	H	α-helix	trans	-60.9	-38.5	176.7	-176.6	-176.4	177.3	-174	0	113.1	S51 Q52 N57	S51-K55 WeakPolarHBondContact O-CB 3.41Å; S51-K55 PolarHBondContact O-N 3.48Å; Q52-K55 WeakPolarHBondContact O-CB 3.35Å; Q52-K55 PolarHBondContact O-N 2.74Å; K55-N57 VanDerWaalsContact C-N 3.32Å
56	E	85.1	Confident	88.7	Confident	107 Å²	107	43.9 Å²	43.9	50%	0.5	22%	0.216	S	C	.	.	H	α-helix	trans	-73.3	-27.5	179.4	-74.2	179.1	-169.2	0	0	113	Q52 L53 F54	Q52-E56 WeakPolarHBondContact O-CG 3.43Å; Q52-E56 PolarHBondContact O-N 3.36Å; L53-E56 PolarHBondContact O-N 3.33Å; F54-E56 VanDerWaalsContact C-N 3.33Å; F54-E56 PolarHBondContact O-N 3.14Å
57	N	79.2	Confident	89.2	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-104.9	-38.3	-167.9	-75.7	-81.4	0	0	0	112.8	L53 F54 K55 Y193 K196 N197 W201	L53-N57 WeakPolarHBondContact O-CB 3.32Å; L53-N57 PolarHBondContact O-N 3.16Å; L53-N57 PolarHBondContact O-ND2 3.15Å; F54-N57 PolarHBondContact O-N 3.36Å; K55-N57 VanDerWaalsContact C-N 3.32Å; N57-Y193 VanDerWaalsContact CB-OH 3.3Å; N57-Y193 WeakPolarHBondContact CB-OH 3.42Å; N57-Y193 WeakPolarHBondContact O-CE2 3.13Å; N57-Y193 PolarHBondContact O-OH 2.83Å; N57-K196 WeakPolarHBondContact O-CD 3.36Å; N57-K196 WeakPolarHBondContact O-CG 3.2Å; N57-K196 PolarHBondContact OD1-N 3.16Å; N57-N197 VanDerWaalsContact OD1-CA 3.24Å; N57-N197 WeakPolarHBondContact OD1-CA 3.3Å; N57-N197 WeakPolarHBondContact OD1-CB 3.34Å; N57-N197 PolarHBondContact OD1-N 2.79Å; N57-N197 PolarHBondContact OD1-O 2.84Å; N57-W201 PolarHBondContact ND2-NE1 3.39Å; N57-W201 VanDerWaalsContact ND2-NE1 3.12Å; N57-W201 PolarHBondContact OD1-NE1 2.78Å
58	Y	80	Confident	89.3	Confident	14 Å²	14	42.8 Å²	42.8	6%	0.055	21%	0.208	C	C	.	.			trans	-98.8	132.6	-178.6	-74.5	-91	0	0	0	110.5	F54 E60 H141 H144 Y193 W201	F54-Y58 AromaticContact CD1-CD2 3.39Å; F54-Y58 HydrophobicContact CD1-CD2 3.39Å; F54-Y58 AromaticContact CD1-CE2 3.64Å; F54-Y58 HydrophobicContact CD1-CE2 3.64Å; F54-Y58 HydrophobicContact CD1-CG 4.18Å; F54-Y58 AromaticContact CE1-CD2 3.78Å; F54-Y58 HydrophobicContact CE1-CD2 3.78Å; F54-Y58 AromaticContact CE1-CE2 3.49Å; F54-Y58 HydrophobicContact CE1-CE2 3.49Å; F54-Y58 VanDerWaalsContact CE1-CE2 3.49Å; F54-Y58 HydrophobicContact CG-CD2 4.28Å; F54-Y58 HydrophobicContact CZ-CE2 4.42Å; F54-Y58 WeakPolarHBondContact O-CB 3.38Å; F54-Y58 PolarHBondContact O-N 2.96Å; Y58-E60 VanDerWaalsContact C-N 3.31Å; Y58-H141 AromaticContact CE2-CE1 3.78Å; Y58-H141 AromaticContact CE2-ND1 3.48Å; Y58-H141 WeakPolarHBondContact CE2-ND1 3.16Å; Y58-H141 AromaticContact CZ-ND1 3.47Å; Y58-H141 PolarHBondContact OH-CE1 2.77Å; Y58-H141 PolarHBondContact OH-ND1 3.08Å; Y58-H144 HydrophobicContact CD1-CB 3.79Å; Y58-H144 AromaticContact CD1-CG 3.69Å; Y58-H144 AromaticContact CD1-ND1 3.68Å; Y58-H144 HydrophobicContact CE1-CB 3.35Å; Y58-H144 AromaticContact CE1-CG 3.75Å; Y58-Y193 HydrophobicContact CD1-CD1 4.42Å; Y58-Y193 AromaticContact CD1-CD2 3.85Å; Y58-Y193 HydrophobicContact CD1-CD2 3.85Å; Y58-Y193 HydrophobicContact CD1-CE1 4.08Å; Y58-Y193 AromaticContact CD1-CE2 3.42Å; Y58-Y193 HydrophobicContact CD1-CE2 3.42Å; Y58-Y193 VanDerWaalsContact CD1-CE2 3.42Å; Y58-Y193 HydrophobicContact CD1-CG 4.32Å; Y58-Y193 AromaticContact CD1-CZ 3.54Å; Y58-Y193 HydrophobicContact CD2-CE1 4.3Å; Y58-Y193 HydrophobicContact CD2-CE2 4.46Å; Y58-Y193 AromaticContact CD2-CZ 3.83Å; Y58-Y193 WeakPolarHBondContact CD2-OH 3.32Å; Y58-Y193 AromaticContact CE1-CD1 3.47Å; Y58-Y193 HydrophobicContact CE1-CD1 3.47Å; Y58-Y193 VanDerWaalsContact CE1-CD1 3.47Å; Y58-Y193 AromaticContact CE1-CD2 3.61Å; Y58-Y193 HydrophobicContact CE1-CD2 3.61Å; Y58-Y193 AromaticContact CE1-CE1 3.34Å; Y58-Y193 HydrophobicContact CE1-CE1 3.34Å; Y58-Y193 AromaticContact CE1-CE2 3.46Å; Y58-Y193 HydrophobicContact CE1-CE2 3.46Å; Y58-Y193 VanDerWaalsContact CE1-CE2 3.46Å; Y58-Y193 AromaticContact CE1-CG 3.61Å; Y58-Y193 HydrophobicContact CE1-CG 3.61Å; Y58-Y193 AromaticContact CE1-CZ 3.31Å; Y58-Y193 HydrophobicContact CE2-CD1 4.45Å; Y58-Y193 AromaticContact CE2-CE1 3.63Å; Y58-Y193 HydrophobicContact CE2-CE1 3.63Å; Y58-Y193 AromaticContact CE2-CZ 3.64Å; Y58-Y193 WeakPolarHBondContact CE2-OH 3.26Å; Y58-Y193 HydrophobicContact CG-CE1 4.5Å; Y58-Y193 AromaticContact CG-CE2 3.95Å; Y58-Y193 HydrophobicContact CG-CE2 3.95Å; Y58-Y193 AromaticContact CG-CZ 3.79Å; Y58-Y193 AromaticContact CZ-CD1 3.5Å; Y58-Y193 AromaticContact CZ-CE1 3.09Å; Y58-Y193 AromaticContact CZ-CZ 3.37Å; Y58-Y193 VanDerWaalsContact OH-CD1 3.25Å; Y58-Y193 WeakPolarHBondContact OH-CD1 3.3Å; Y58-Y193 WeakPolarHBondContact OH-CE1 3.06Å; Y58-W201 AromaticContact CE2-CZ2 3.99Å; Y58-W201 HydrophobicContact CE2-CZ2 3.99Å
59	D	78.4	Confident	89.4	Confident	132 Å²	132	43.2 Å²	43.2	71%	0.706	21%	0.212	S	C	*	.	S	Bend	trans	-66.7	-38.8	168.8	-75.2	-63.9	0	0	0	111.1	K196	D59-K196 IonicContact OD1-NZ 3.04Å; D59-K196 PolarHBondContact OD1-NZ 2.81Å; D59-K196 WeakPolarHBondContact OD2-CE 2.81Å; D59-K196 IonicContact OD2-NZ 3.1Å; D59-K196 PolarHBondContact OD2-NZ 3.44Å
60	E	79	Confident	89.6	Confident	87 Å²	87	40.8 Å²	40.8	41%	0.407	20%	0.204	S	C	.	.	S	Bend	trans	-75.1	134.9	177.9	-65.3	-174.4	-175.3	0	0	111.4	Y58 R116	Y58-E60 VanDerWaalsContact C-N 3.31Å; E60-R116 IonicContact OE1-NH1 3.43Å; E60-R116 WeakPolarHBondContact OE2-CD 3.19Å; E60-R116 IonicContact OE2-CZ 2.75Å; E60-R116 IonicContact OE2-NE 3.81Å; E60-R116 IonicContact OE2-NH1 3.98Å; E60-R116 PolarHBondContact OE2-NH1 3.03Å
61	P	81.6	Confident	89.6	Confident	66 Å²	66	47.9 Å²	47.9	43%	0.429	24%	0.242	S	C	.	.			trans	-74.7	138.7	-173.3	30.6	-36.7	0	0	0	112.3	Y26	Y26-P61 HydrophobicContact CD1-CB 3.45Å; Y26-P61 VanDerWaalsContact CD1-CB 3.45Å; Y26-P61 HydrophobicContact CD1-CG 3.24Å; Y26-P61 HydrophobicContact CE1-CB 3.41Å; Y26-P61 VanDerWaalsContact CE1-CB 3.41Å; Y26-P61 HydrophobicContact CE1-CG 3.14Å; Y26-P61 HydrophobicContact CG-CG 4.28Å
62	T	92.1	Very high	89.6	Confident	25 Å²	25	48 Å²	48	15%	0.153	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134.3	170.5	-49.5	0	0	0	0	109.5	V27 F64 L140 H144	V27-T62 CarbonylContact O-C 3.05Å; V27-T62 WeakPolarHBondContact O-CA 3.06Å; T62-F64 HydrophobicContact CG2-CD2 4.1Å; T62-F64 HydrophobicContact CG2-CE2 3.43Å; T62-F64 VanDerWaalsContact CG2-CE2 3.43Å; T62-F64 HydrophobicContact CG2-CZ 3.94Å; T62-L140 HydrophobicContact CG2-CD2 3.88Å; T62-H144 PolarHBondContact OG1-CE1 3.11Å; T62-H144 PolarHBondContact OG1-NE2 2.05Å
63	K	95.5	Very high	89.8	Confident	47 Å²	47	46 Å²	46	20%	0.204	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	138.2	175.5	-72.3	-67.2	-174	170.8	0	111	Y23 Y26 V27 T28 L29	Y23-K63 HydrophobicContact CD1-CB 4.3Å; Y23-K63 HydrophobicContact CD1-CG 4.15Å; Y26-K63 HydrophobicContact CD1-CD 4.29Å; Y26-K63 HydrophobicContact CD1-CG 3.57Å; Y26-K63 HydrophobicContact CD2-CG 4.48Å; Y26-K63 HydrophobicContact CE1-CG 4.32Å; Y26-K63 HydrophobicContact CG-CG 3.69Å; V27-K63 PolarHBondContact O-N 3.33Å; T28-K63 CarbonylContact C-O 3.54Å; T28-K63 WeakPolarHBondContact CA-O 3.38Å; T28-K63 HydrophobicContact CG2-CB 4.13Å; L29-K63 PolarHBondContact N-O 2.66Å
64	F	97.7	Very high	90.1	Very high	7 Å²	7	50 Å²	50	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.6	177.9	-69.3	-105	0	0	0	108.3	L29 L47 L50 S51 T62 F89 D90 L140	L29-F64 HydrophobicContact CB-CD1 4.13Å; L29-F64 HydrophobicContact CB-CE1 4.4Å; L29-F64 HydrophobicContact CD2-CD1 3.61Å; L29-F64 HydrophobicContact CD2-CE1 3.72Å; L47-F64 HydrophobicContact CD2-CD1 4.31Å; L47-F64 HydrophobicContact CD2-CE1 4.34Å; L50-F64 HydrophobicContact CB-CE1 4.46Å; L50-F64 HydrophobicContact CD2-CE1 4.27Å; L50-F64 HydrophobicContact CG-CE1 4.28Å; L50-F64 HydrophobicContact CG-CZ 4.25Å; S51-F64 VanDerWaalsContact CA-CE2 3.43Å; S51-F64 VanDerWaalsContact CB-CD2 3.47Å; T62-F64 HydrophobicContact CG2-CD2 4.1Å; T62-F64 HydrophobicContact CG2-CE2 3.43Å; T62-F64 VanDerWaalsContact CG2-CE2 3.43Å; T62-F64 HydrophobicContact CG2-CZ 3.94Å; F64-F89 HydrophobicContact CB-CD1 3.51Å; F64-F89 HydrophobicContact CB-CD2 4.32Å; F64-F89 HydrophobicContact CB-CE1 3.3Å; F64-F89 HydrophobicContact CB-CE2 4.16Å; F64-F89 HydrophobicContact CB-CG 4.01Å; F64-F89 HydrophobicContact CB-CZ 3.63Å; F64-F89 HydrophobicContact CD1-CE1 4.12Å; F64-F89 HydrophobicContact CD1-CZ 4.06Å; F64-F89 AromaticContact CG-CE1 3.96Å; F64-F89 HydrophobicContact CG-CE1 3.96Å; F64-F89 HydrophobicContact CG-CE2 4.46Å; F64-F89 AromaticContact CG-CZ 3.87Å; F64-F89 HydrophobicContact CG-CZ 3.87Å; F64-F89 VanDerWaalsContact O-CA 3.3Å; F64-F89 WeakPolarHBondContact O-CA 3.3Å; F64-D90 PolarHBondContact O-N 3.45Å; F64-D90 VanDerWaalsContact O-N 3.1Å; F64-L140 HydrophobicContact CE1-CD1 4.06Å; F64-L140 HydrophobicContact CZ-CD1 3.96Å
65	V	97.7	Very high	90.5	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.018	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.9	-176.5	-173.1	0	0	0	0	108	Y23 T28 L29 I30 A31 V67 D90 I92	Y23-V65 HydrophobicContact CD2-CG2 4.31Å; Y23-V65 HydrophobicContact CE1-CG2 4.16Å; Y23-V65 HydrophobicContact CE2-CG2 3.6Å; T28-V65 HydrophobicContact CG2-CG2 4.04Å; L29-V65 PolarHBondContact O-N 3.46Å; I30-V65 CarbonylContact C-O 3.57Å; I30-V65 WeakPolarHBondContact CA-O 3.49Å; I30-V65 HydrophobicContact CG1-CB 4.28Å; A31-V65 PolarHBondContact N-O 3.39Å; V65-V67 HydrophobicContact CG1-CG2 4.29Å; V65-D90 CarbonylContact C-O 3.51Å; V65-D90 WeakPolarHBondContact CA-O 3.44Å; V65-D90 HydrophobicContact CG1-CB 4.3Å; V65-D90 HydrophobicContact CG2-CB 4.45Å; V65-I92 HydrophobicContact CG1-CD1 3.93Å; V65-I92 HydrophobicContact CG1-CG1 4.4Å
66	I	98.1	Very high	90.8	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	125.4	173.5	-64.8	165.6	0	0	0	107.8	A31 I33 L35 I44 L84 F89 D90 V91 I92	A31-I66 WeakPolarHBondContact O-CA 3.25Å; I33-I66 HydrophobicContact CB-CG2 4.13Å; I33-I66 HydrophobicContact CD1-CG1 4.42Å; L35-I66 HydrophobicContact CD2-CG2 4.1Å; I44-I66 HydrophobicContact CD1-CD1 4.43Å; I44-I66 HydrophobicContact CG1-CD1 3.99Å; I44-I66 HydrophobicContact CG2-CD1 4.19Å; I66-L84 HydrophobicContact CD1-CD1 3.49Å; I66-L84 VanDerWaalsContact CD1-CD1 3.49Å; I66-F89 HydrophobicContact CD1-CD1 3.91Å; I66-F89 HydrophobicContact CD1-CE1 4.2Å; I66-F89 HydrophobicContact CG1-CD1 4.25Å; I66-D90 PolarHBondContact N-O 3.12Å; I66-V91 HydrophobicContact CB-CG2 4.5Å; I66-V91 WeakPolarHBondContact O-CA 3.48Å; I66-I92 PolarHBondContact O-N 2.97Å
67	V	97.7	Very high	91.4	Very high	2 Å²	2	46 Å²	46	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	108.1	177	-172.8	0	0	0	0	108.6	I30 A31 L32 I33 V65 I92 I100 W101	I30-V67 HydrophobicContact CG2-CG2 3.7Å; A31-V67 PolarHBondContact O-N 3.44Å; L32-V67 HydrophobicContact CD2-CB 3.82Å; L32-V67 HydrophobicContact CD2-CG1 4.35Å; L32-V67 HydrophobicContact CD2-CG2 4.28Å; I33-V67 PolarHBondContact N-O 3.06Å; I33-V67 VanDerWaalsContact N-O 3.15Å; V65-V67 HydrophobicContact CG1-CG2 4.29Å; V67-I92 CarbonylContact C-O 3.53Å; V67-I92 WeakPolarHBondContact CA-O 3.38Å; V67-I100 HydrophobicContact CG1-CB 4.06Å; V67-I100 HydrophobicContact CG1-CD1 3.92Å; V67-I100 HydrophobicContact CG1-CG2 3.78Å; V67-I100 HydrophobicContact CG2-CG2 4.35Å; V67-W101 WeakPolarHBondContact O-CZ2 3.38Å; V67-W101 PolarHBondContact O-NE1 3.43Å
68	A	97.1	Very high	92.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	146.9	171.7	0	0	0	0	0	111	L35 E72 V77 I92 Q93 E94	L35-A68 HydrophobicContact CD1-CB 3.99Å; L35-A68 HydrophobicContact CG-CB 4.21Å; A68-E72 HydrophobicContact CB-CB 3.98Å; A68-E72 HydrophobicContact CB-CG 3.89Å; A68-V77 HydrophobicContact CB-CG2 4.03Å; A68-I92 PolarHBondContact N-O 3.08Å; A68-Q93 HydrophobicContact CB-CB 4.39Å; A68-Q93 HydrophobicContact CB-CG 4.48Å; A68-E94 PolarHBondContact O-N 3.2Å
69	P	95.4	Very high	92.9	Very high	24 Å²	24	56.2 Å²	56.2	16%	0.156	29%	0.293	C	S	.	.			trans	-72.6	169.9	178.9	32.2	-36.1	0	0	0	112.2	E34 N71 E72 W101	E34-P69 HydrophobicContact CG-CG 3.8Å; P69-N71 PolarHBondContact O-N 2.9Å; P69-E72 WeakPolarHBondContact CD-OE2 3.3Å; P69-E72 HydrophobicContact CG-CB 4.29Å; P69-E72 WeakPolarHBondContact O-CB 3.48Å; P69-E72 PolarHBondContact O-N 3.18Å; P69-W101 HydrophobicContact CB-CH2 4.15Å; P69-W101 HydrophobicContact CB-CZ2 3.82Å; P69-W101 HydrophobicContact CG-CH2 4.44Å; P69-W101 HydrophobicContact CG-CZ2 4.19Å
70	L	93.1	Very high	93.8	Very high	70 Å²	70	50.4 Å²	50.4	37%	0.366	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-48.8	-177.9	179.9	59.3	0	0	0	113.6	E72 Q93 E94 A96	L70-E72 VanDerWaalsContact C-N 3.26Å; L70-E72 PolarHBondContact O-N 2.9Å; L70-Q93 PolarHBondContact O-NE2 3.38Å; L70-E94 WeakPolarHBondContact CA-O 3.47Å; L70-E94 HydrophobicContact CB-CG 4.37Å; L70-A96 HydrophobicContact CD1-CB 4.23Å
71	N	90.2	Very high	94.7	Very high	149 Å²	149	51.5 Å²	51.5	80%	0.797	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	25.6	-174.4	-63.6	-28.2	0	0	0	113.4	P69	P69-N71 PolarHBondContact O-N 2.9Å
72	E	93.8	Very high	95.4	Very high	14 Å²	14	53.9 Å²	53.9	7%	0.065	27%	0.268	C	S	.	.			trans	-74.8	144.6	176.6	-164.5	63.1	-101.2	0	0	112.2	E34 L35 Q36 A68 P69 L70 S74 V77 Q93	E34-E72 WeakPolarHBondContact CA-OE2 3.06Å; L35-E72 HydrophobicContact CB-CG 4.09Å; L35-E72 HydrophobicContact CD1-CG 4.09Å; L35-E72 HydrophobicContact CG-CG 4.1Å; L35-E72 PolarHBondContact N-OE2 3.2Å; Q36-E72 VanDerWaalsContact CD-OE1 3.29Å; Q36-E72 WeakPolarHBondContact CG-OE1 3.39Å; Q36-E72 PolarHBondContact NE2-OE1 3.3Å; A68-E72 HydrophobicContact CB-CB 3.98Å; A68-E72 HydrophobicContact CB-CG 3.89Å; P69-E72 WeakPolarHBondContact CD-OE2 3.3Å; P69-E72 HydrophobicContact CG-CB 4.29Å; P69-E72 WeakPolarHBondContact O-CB 3.48Å; P69-E72 PolarHBondContact O-N 3.18Å; L70-E72 VanDerWaalsContact C-N 3.26Å; L70-E72 PolarHBondContact O-N 2.9Å; E72-S74 PolarHBondContact O-N 3.08Å; E72-V77 HydrophobicContact CB-CG2 4.06Å; E72-V77 HydrophobicContact CG-CG2 3.67Å; E72-Q93 PolarHBondContact O-NE2 3Å
73	S	93.8	Very high	95.6	Very high	35 Å²	35	56.9 Å²	56.9	25%	0.245	28%	0.277	C	S	.	.			trans	-65.5	125.2	176	173.2	0	0	0	0	111.4	Q36 M75 F76 V77	Q36-S73 VanDerWaalsContact CD-CB 3.45Å; S73-M75 PolarHBondContact O-N 3.4Å; S73-M75 PolarHBondContact OG-N 3.09Å; S73-F76 PolarHBondContact O-N 3.38Å; S73-V77 PolarHBondContact O-N 3.1Å
74	S	92.2	Very high	95.7	Very high	92 Å²	92	54.7 Å²	54.7	64%	0.643	27%	0.267	S	S	*	.	H	α-helix	trans	-57.1	-32.9	178	59	0	0	0	0	112.5	E72 V77 H78	E72-S74 PolarHBondContact O-N 3.08Å; S74-V77 PolarHBondContact O-N 3.42Å; S74-H78 VanDerWaalsContact O-CB 3.29Å; S74-H78 WeakPolarHBondContact O-CB 3.36Å; S74-H78 PolarHBondContact O-N 3.38Å
75	M	94.8	Very high	95.5	Very high	126 Å²	126	59.4 Å²	59.4	62%	0.621	29%	0.292	S	S	*	.	H	α-helix	trans	-61.8	-45	175.2	-175.2	-174.3	73.3	0	0	111.6	S73 Y79	S73-M75 PolarHBondContact O-N 3.4Å; S73-M75 PolarHBondContact OG-N 3.09Å; M75-Y79 VanDerWaalsContact O-CB 3.3Å; M75-Y79 WeakPolarHBondContact O-CB 3.3Å; M75-Y79 PolarHBondContact O-N 2.76Å
76	F	95.2	Very high	95.3	Very high	63 Å²	63	63.7 Å²	63.7	28%	0.276	32%	0.32	S	S	.	.	H	α-helix	trans	-71.4	-39.4	179.4	-81.7	-89.8	0	0	0	112	L35 Q36 S73 Y79 Y80	L35-F76 HydrophobicContact CB-CB 3.94Å; Q36-F76 HydrophobicContact CG-CB 4.32Å; Q36-F76 HydrophobicContact CG-CD1 4.31Å; Q36-F76 HydrophobicContact CG-CD2 3.41Å; Q36-F76 VanDerWaalsContact CG-CD2 3.41Å; Q36-F76 HydrophobicContact CG-CE2 3.63Å; Q36-F76 HydrophobicContact CG-CG 3.76Å; Q36-F76 HydrophobicContact CG-CZ 4.18Å; S73-F76 PolarHBondContact O-N 3.38Å; F76-Y79 PolarHBondContact O-N 2.75Å; F76-Y80 HydrophobicContact CD1-CE2 4.26Å; F76-Y80 WeakPolarHBondContact O-CD2 3.45Å; F76-Y80 PolarHBondContact O-N 3.03Å
77	V	96.4	Very high	95	Very high	8 Å²	8	67.9 Å²	67.9	5%	0.048	34%	0.336	C	S	.	.	H	α-helix	trans	-60.3	-47.5	174.9	173.9	0	0	0	0	110.7	L35 A68 E72 S73 S74 Y80 R81 Q93	L35-V77 HydrophobicContact CD1-CB 4.31Å; L35-V77 HydrophobicContact CD1-CG2 3.74Å; A68-V77 HydrophobicContact CB-CG2 4.03Å; E72-V77 HydrophobicContact CB-CG2 4.06Å; E72-V77 HydrophobicContact CG-CG2 3.67Å; S73-V77 PolarHBondContact O-N 3.1Å; S74-V77 PolarHBondContact O-N 3.42Å; V77-Y80 PolarHBondContact O-N 2.81Å; V77-R81 VanDerWaalsContact O-CB 3.25Å; V77-R81 WeakPolarHBondContact O-CB 3.45Å; V77-R81 PolarHBondContact O-N 3.37Å; V77-Q93 HydrophobicContact CG1-CB 4.09Å; V77-Q93 HydrophobicContact CG2-CB 4.24Å; V77-Q93 HydrophobicContact CG2-CG 4.35Å
78	H	96	Very high	94.8	Very high	111 Å²	111	74.6 Å²	74.6	51%	0.514	37%	0.366	S	S	.	.	H	α-helix	trans	-61.8	-47.7	177.1	-178.4	57.1	0	0	0	111.6	S74 Y80 R81 E82	S74-H78 VanDerWaalsContact O-CB 3.29Å; S74-H78 WeakPolarHBondContact O-CB 3.36Å; S74-H78 PolarHBondContact O-N 3.38Å; H78-Y80 PolarHBondContact O-N 3.14Å; H78-R81 PolarHBondContact O-N 3.04Å; H78-E82 IonicContact CE1-OE1 2.73Å; H78-E82 PolarHBondContact CE1-OE1 2.8Å; H78-E82 IonicContact ND1-OE1 3.46Å; H78-E82 IonicContact NE2-OE1 3.81Å; H78-E82 PolarHBondContact NE2-OE1 2.9Å; H78-E82 PolarHBondContact O-N 2.55Å
79	Y	96	Very high	94.7	Very high	118 Å²	118	74.9 Å²	74.9	46%	0.463	37%	0.367	S	S	.	.	H	α-helix	trans	-55.2	-51.6	176.3	169.8	-94.2	0	0	0	112.5	M75 F76 E82 Y83	M75-Y79 VanDerWaalsContact O-CB 3.3Å; M75-Y79 WeakPolarHBondContact O-CB 3.3Å; M75-Y79 PolarHBondContact O-N 2.76Å; F76-Y79 PolarHBondContact O-N 2.75Å; Y79-E82 PolarHBondContact O-N 2.82Å; Y79-Y83 VanDerWaalsContact O-CB 3.24Å; Y79-Y83 WeakPolarHBondContact O-CB 3.31Å; Y79-Y83 PolarHBondContact O-N 2.83Å
80	Y	97.3	Very high	94.7	Very high	11 Å²	11	76.4 Å²	76.4	4%	0.043	37%	0.373	C	S	.	.	H	α-helix	trans	-70.8	-32.5	-178.1	-84.7	-70.7	0	0	0	112.7	L35 I44 F76 V77 H78 E82 Y83 L84	L35-Y80 HydrophobicContact CB-CD2 3.88Å; L35-Y80 HydrophobicContact CB-CE2 4.02Å; L35-Y80 HydrophobicContact CD1-CD2 4.04Å; L35-Y80 HydrophobicContact CD2-CD2 3.95Å; L35-Y80 HydrophobicContact CD2-CE2 4.38Å; L35-Y80 HydrophobicContact CD2-CG 4.32Å; L35-Y80 HydrophobicContact CG-CD2 4.18Å; I44-Y80 HydrophobicContact CB-CE1 4.41Å; I44-Y80 HydrophobicContact CD1-CD1 3.99Å; I44-Y80 HydrophobicContact CD1-CE1 3.67Å; I44-Y80 HydrophobicContact CD1-CE2 4.26Å; I44-Y80 HydrophobicContact CD1-CG 4.42Å; I44-Y80 HydrophobicContact CG2-CD1 4.11Å; I44-Y80 HydrophobicContact CG2-CE1 3.88Å; F76-Y80 HydrophobicContact CD1-CE2 4.26Å; F76-Y80 WeakPolarHBondContact O-CD2 3.45Å; F76-Y80 PolarHBondContact O-N 3.03Å; V77-Y80 PolarHBondContact O-N 2.81Å; H78-Y80 PolarHBondContact O-N 3.14Å; Y80-E82 VanDerWaalsContact C-N 3.34Å; Y80-Y83 HydrophobicContact CD1-CD1 4.19Å; Y80-Y83 HydrophobicContact CE1-CD1 4.39Å; Y80-Y83 PolarHBondContact O-N 2.83Å; Y80-L84 HydrophobicContact CD1-CD1 4.21Å; Y80-L84 HydrophobicContact CD1-CG 4.41Å; Y80-L84 WeakPolarHBondContact O-CB 3.39Å; Y80-L84 WeakPolarHBondContact O-CG 3.46Å; Y80-L84 PolarHBondContact O-N 3.34Å
81	R	96.7	Very high	94.9	Very high	109 Å²	109	73.3 Å²	73.3	41%	0.411	36%	0.357	S	S	.	.	H	α-helix	trans	-59.1	-46.6	172.5	-177.9	177.9	-77	178.9	-2.7	110.7	V77 H78 L85 V91	V77-R81 VanDerWaalsContact O-CB 3.25Å; V77-R81 WeakPolarHBondContact O-CB 3.45Å; V77-R81 PolarHBondContact O-N 3.37Å; H78-R81 PolarHBondContact O-N 3.04Å; R81-L85 WeakPolarHBondContact O-CB 3.11Å; R81-L85 PolarHBondContact O-N 3.2Å; R81-V91 HydrophobicContact CB-CB 4.15Å; R81-V91 PolarHBondContact NE-O 3.47Å; R81-V91 PolarHBondContact NH2-O 3.17Å
82	E	96.8	Very high	95.1	Very high	117 Å²	117	66.6 Å²	66.6	55%	0.547	32%	0.321	S	S	.	.	H	α-helix	trans	-70.4	-44.9	177.3	-67.3	-171.1	161.2	0	0	112.4	H78 Y79 Y80 L84 L85 P86	H78-E82 IonicContact CE1-OE1 2.73Å; H78-E82 PolarHBondContact CE1-OE1 2.8Å; H78-E82 IonicContact ND1-OE1 3.46Å; H78-E82 IonicContact NE2-OE1 3.81Å; H78-E82 PolarHBondContact NE2-OE1 2.9Å; H78-E82 PolarHBondContact O-N 2.55Å; Y79-E82 PolarHBondContact O-N 2.82Å; Y80-E82 VanDerWaalsContact C-N 3.34Å; E82-L84 VanDerWaalsContact C-N 3.32Å; E82-L84 PolarHBondContact O-N 3.04Å; E82-L85 PolarHBondContact O-N 3.04Å; E82-P86 WeakPolarHBondContact O-CD 3.37Å
83	Y	95.7	Very high	95.2	Very high	88 Å²	88	68 Å²	68	35%	0.345	33%	0.328	S	S	.	.	H	α-helix	trans	-61.3	-37.9	-178	178.1	-111.2	0	0	0	112.9	L48 Y79 Y80	L48-Y83 HydrophobicContact CD1-CE1 4.21Å; Y79-Y83 VanDerWaalsContact O-CB 3.24Å; Y79-Y83 WeakPolarHBondContact O-CB 3.31Å; Y79-Y83 PolarHBondContact O-N 2.83Å; Y80-Y83 HydrophobicContact CD1-CD1 4.19Å; Y80-Y83 HydrophobicContact CE1-CD1 4.39Å; Y80-Y83 PolarHBondContact O-N 2.83Å
84	L	96.9	Very high	95.3	Very high	0 Å²	0	67 Å²	67	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-95.5	-10.5	-175.8	-57.1	174.2	0	0	0	114.2	I44 L48 I66 Y80 E82 P86 Y87 K88 F89 V91	I44-L84 HydrophobicContact CG2-CD1 3.81Å; I44-L84 HydrophobicContact CG2-CD2 3.96Å; I44-L84 HydrophobicContact CG2-CG 4.43Å; L48-L84 HydrophobicContact CD1-CD2 3.94Å; I66-L84 HydrophobicContact CD1-CD1 3.49Å; I66-L84 VanDerWaalsContact CD1-CD1 3.49Å; Y80-L84 HydrophobicContact CD1-CD1 4.21Å; Y80-L84 HydrophobicContact CD1-CG 4.41Å; Y80-L84 WeakPolarHBondContact O-CB 3.39Å; Y80-L84 WeakPolarHBondContact O-CG 3.46Å; Y80-L84 PolarHBondContact O-N 3.34Å; E82-L84 VanDerWaalsContact C-N 3.32Å; E82-L84 PolarHBondContact O-N 3.04Å; L84-P86 VanDerWaalsContact C-CD 3.46Å; L84-Y87 CarbonylContact O-C 3.55Å; L84-Y87 WeakPolarHBondContact O-CA 3.42Å; L84-Y87 PolarHBondContact O-N 3.03Å; L84-K88 PolarHBondContact O-N 3.29Å; L84-F89 HydrophobicContact CB-CB 3.64Å; L84-F89 HydrophobicContact CB-CD2 4.36Å; L84-F89 HydrophobicContact CB-CG 4.03Å; L84-F89 HydrophobicContact CD1-CB 4.35Å; L84-F89 HydrophobicContact CD1-CD1 4.2Å; L84-F89 HydrophobicContact CD1-CG 4.31Å; L84-F89 PolarHBondContact O-N 3.19Å; L84-V91 HydrophobicContact CD1-CG2 4.01Å
85	L	94.5	Very high	95.4	Very high	107 Å²	107	65.2 Å²	65.2	56%	0.56	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-54.6	-42.1	178.8	-174.7	66.2	0	0	0	114	R81 E82 Y87 K88	R81-L85 WeakPolarHBondContact O-CB 3.11Å; R81-L85 PolarHBondContact O-N 3.2Å; E82-L85 PolarHBondContact O-N 3.04Å; L85-Y87 PolarHBondContact O-N 3.39Å; L85-K88 PolarHBondContact O-N 3.42Å
86	P	93.9	Very high	95.3	Very high	93 Å²	93	63.1 Å²	63.1	60%	0.604	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-61.6	-27	177	-23.4	35.3	0	0	0	113.3	E82 L84 K88	E82-P86 WeakPolarHBondContact O-CD 3.37Å; L84-P86 VanDerWaalsContact C-CD 3.46Å; P86-K88 VanDerWaalsContact C-N 3.32Å
87	Y	92.4	Very high	95.1	Very high	88 Å²	88	64.7 Å²	64.7	35%	0.345	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-91.5	6.7	179.7	-53.3	-82.8	0	0	0	112.8	L48 Q52 L84 L85 F89	L48-Y87 HydrophobicContact CD1-CD1 4.36Å; L48-Y87 HydrophobicContact CD1-CD2 3.79Å; L48-Y87 HydrophobicContact CD1-CE1 4.3Å; L48-Y87 HydrophobicContact CD1-CE2 3.72Å; L48-Y87 HydrophobicContact CD1-CG 4.11Å; L48-Y87 HydrophobicContact CD2-CD1 4.03Å; L48-Y87 HydrophobicContact CD2-CE1 3.9Å; L48-Y87 HydrophobicContact CG-CD1 4.04Å; L48-Y87 HydrophobicContact CG-CD2 4.24Å; L48-Y87 HydrophobicContact CG-CE1 4.25Å; L48-Y87 HydrophobicContact CG-CE2 4.43Å; L48-Y87 HydrophobicContact CG-CG 4.03Å; Q52-Y87 HydrophobicContact CG-CD1 4.41Å; L84-Y87 CarbonylContact O-C 3.55Å; L84-Y87 WeakPolarHBondContact O-CA 3.42Å; L84-Y87 PolarHBondContact O-N 3.03Å; L85-Y87 PolarHBondContact O-N 3.39Å; Y87-F89 VanDerWaalsContact C-N 3.27Å; Y87-F89 PolarHBondContact O-N 3.18Å
88	K	91.5	Very high	95	Very high	144 Å²	144	65.6 Å²	65.6	63%	0.626	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	29.7	177.4	-52.8	-60.8	-174.3	-176	0	114.2	L84 L85 P86	L84-K88 PolarHBondContact O-N 3.29Å; L85-K88 PolarHBondContact O-N 3.42Å; P86-K88 VanDerWaalsContact C-N 3.32Å
89	F	96.1	Very high	94.9	Very high	5 Å²	5	64 Å²	64	2%	0.022	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	149.2	165.9	-78.8	-113.7	0	0	0	110.4	L47 S51 F64 I66 L84 Y87	L47-F89 HydrophobicContact CB-CE1 4.07Å; L47-F89 HydrophobicContact CB-CZ 4.13Å; S51-F89 VanDerWaalsContact OG-CE2 3.3Å; S51-F89 WeakPolarHBondContact OG-CE2 3.43Å; F64-F89 HydrophobicContact CB-CD1 3.51Å; F64-F89 HydrophobicContact CB-CD2 4.32Å; F64-F89 HydrophobicContact CB-CE1 3.3Å; F64-F89 HydrophobicContact CB-CE2 4.16Å; F64-F89 HydrophobicContact CB-CG 4.01Å; F64-F89 HydrophobicContact CB-CZ 3.63Å; F64-F89 HydrophobicContact CD1-CE1 4.12Å; F64-F89 HydrophobicContact CD1-CZ 4.06Å; F64-F89 AromaticContact CG-CE1 3.96Å; F64-F89 HydrophobicContact CG-CE1 3.96Å; F64-F89 HydrophobicContact CG-CE2 4.46Å; F64-F89 AromaticContact CG-CZ 3.87Å; F64-F89 HydrophobicContact CG-CZ 3.87Å; F64-F89 VanDerWaalsContact O-CA 3.3Å; F64-F89 WeakPolarHBondContact O-CA 3.3Å; I66-F89 HydrophobicContact CD1-CD1 3.91Å; I66-F89 HydrophobicContact CD1-CE1 4.2Å; I66-F89 HydrophobicContact CG1-CD1 4.25Å; L84-F89 HydrophobicContact CB-CB 3.64Å; L84-F89 HydrophobicContact CB-CD2 4.36Å; L84-F89 HydrophobicContact CB-CG 4.03Å; L84-F89 HydrophobicContact CD1-CB 4.35Å; L84-F89 HydrophobicContact CD1-CD1 4.2Å; L84-F89 HydrophobicContact CD1-CG 4.31Å; L84-F89 PolarHBondContact O-N 3.19Å; Y87-F89 VanDerWaalsContact C-N 3.27Å; Y87-F89 PolarHBondContact O-N 3.18Å
90	D	95.7	Very high	94.9	Very high	56 Å²	56	58.4 Å²	58.4	30%	0.299	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	135.1	163.5	-68.3	-29.9	0	0	0	110	Y23 F64 V65 I66	Y23-D90 WeakPolarHBondContact CE1-OD2 3.44Å; Y23-D90 VanDerWaalsContact CZ-OD2 3.27Å; Y23-D90 WeakPolarHBondContact OH-CB 3.31Å; Y23-D90 PolarHBondContact OH-OD2 3.45Å; F64-D90 PolarHBondContact O-N 3.45Å; F64-D90 VanDerWaalsContact O-N 3.1Å; V65-D90 CarbonylContact C-O 3.51Å; V65-D90 WeakPolarHBondContact CA-O 3.44Å; V65-D90 HydrophobicContact CG1-CB 4.3Å; V65-D90 HydrophobicContact CG2-CB 4.45Å; I66-D90 PolarHBondContact N-O 3.12Å
91	V	96.6	Very high	94.7	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.03	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	112.9	175	-175	0	0	0	0	108.3	L35 I66 R81 L84	L35-V91 HydrophobicContact CD1-CG1 4.43Å; I66-V91 HydrophobicContact CB-CG2 4.5Å; I66-V91 WeakPolarHBondContact O-CA 3.48Å; R81-V91 HydrophobicContact CB-CB 4.15Å; R81-V91 PolarHBondContact NE-O 3.47Å; R81-V91 PolarHBondContact NH2-O 3.17Å; L84-V91 HydrophobicContact CD1-CG2 4.01Å
92	I	95.4	Very high	94.5	Very high	8 Å²	8	59.8 Å²	59.8	4%	0.041	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	142.2	-178.2	-59.8	175	0	0	0	107.9	H14 I19 V65 I66 V67 A68 I100	H14-I92 HydrophobicContact CB-CG2 4.1Å; I19-I92 HydrophobicContact CD1-CD1 4.05Å; I19-I92 HydrophobicContact CG1-CD1 4.17Å; I19-I92 HydrophobicContact CG2-CD1 3.95Å; V65-I92 HydrophobicContact CG1-CD1 3.93Å; V65-I92 HydrophobicContact CG1-CG1 4.4Å; I66-I92 PolarHBondContact O-N 2.97Å; V67-I92 CarbonylContact C-O 3.53Å; V67-I92 WeakPolarHBondContact CA-O 3.38Å; A68-I92 PolarHBondContact N-O 3.08Å; I92-I100 HydrophobicContact CG2-CD1 3.66Å
93	Q	95.2	Very high	94.3	Very high	44 Å²	44	57.4 Å²	57.4	21%	0.206	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.8	170.8	178.8	172.3	10.2	0	0	108.3	A68 L70 E72 V77	A68-Q93 HydrophobicContact CB-CB 4.39Å; A68-Q93 HydrophobicContact CB-CG 4.48Å; L70-Q93 PolarHBondContact O-NE2 3.38Å; E72-Q93 PolarHBondContact O-NE2 3Å; V77-Q93 HydrophobicContact CG1-CB 4.09Å; V77-Q93 HydrophobicContact CG2-CB 4.24Å; V77-Q93 HydrophobicContact CG2-CG 4.35Å
94	E	94.9	Very high	94.1	Very high	13 Å²	13	53.5 Å²	53.5	6%	0.061	30%	0.303	C	S	.	.			trans	-61.1	139.3	169.3	175.5	163.2	151.6	0	0	110.5	A68 L70 L99 I100 W101	A68-E94 PolarHBondContact O-N 3.2Å; L70-E94 WeakPolarHBondContact CA-O 3.47Å; L70-E94 HydrophobicContact CB-CG 4.37Å; E94-L99 HydrophobicContact CG-CD2 4.39Å; E94-L99 VanDerWaalsContact OE1-CD2 3.26Å; E94-L99 WeakPolarHBondContact OE1-CD2 3.27Å; E94-I100 VanDerWaalsContact CD-N 3.29Å; E94-I100 PolarHBondContact OE2-N 3.45Å; E94-W101 WeakPolarHBondContact OE2-CB 3.44Å; E94-W101 PolarHBondContact OE2-N 2.89Å
95	T	94.6	Very high	93.7	Very high	55 Å²	55	55.4 Å²	55.4	34%	0.337	32%	0.323	S	S	.	.			trans	-121.4	161.8	176.3	72.6	0	0	0	0	110.4	A97 E98	T95-A97 PolarHBondContact O-N 3.45Å; T95-E98 PolarHBondContact N-O 3.23Å; T95-E98 CarbonylContact O-C 3.17Å; T95-E98 PolarHBondContact O-N 3.25Å; T95-E98 VanDerWaalsContact O-N 3.13Å; T95-E98 VanDerWaalsContact O-O 3.09Å; T95-E98 PolarHBondContact OG1-N 2.89Å; T95-E98 VanDerWaalsContact OG1-N 3.1Å
96	A	92.5	Very high	93.3	Very high	83 Å²	83	50.9 Å²	50.9	69%	0.686	30%	0.302	S	S	*	.	S	Bend	trans	-63.6	-23.7	179.5	0	0	0	0	0	112.6	L70	L70-A96 HydrophobicContact CD1-CB 4.23Å
97	A	92.9	Very high	93.1	Very high	95 Å²	95	47.9 Å²	47.9	79%	0.785	29%	0.288	S	S	*	.	S	Bend	trans	-83.4	-34	175.1	0	0	0	0	0	112.5	T95	T95-A97 PolarHBondContact O-N 3.45Å
98	E	93.7	Very high	92.9	Very high	28 Å²	28	47.7 Å²	47.7	13%	0.131	29%	0.289	C	S	.	.	S	Bend	trans	-124.4	86	-176.3	-63.1	-178.5	136.8	0	0	109.7	T13 H14 N15 S16 T95	T13-E98 PolarHBondContact OG1-OE1 2.82Å; H14-E98 VanDerWaalsContact CA-OE2 3.27Å; H14-E98 WeakPolarHBondContact CA-OE2 3.36Å; N15-E98 PolarHBondContact N-OE1 2.75Å; N15-E98 PolarHBondContact N-OE2 3.08Å; S16-E98 WeakPolarHBondContact CA-OE1 3.44Å; S16-E98 PolarHBondContact N-OE1 2.83Å; T95-E98 PolarHBondContact N-O 3.23Å; T95-E98 CarbonylContact O-C 3.17Å; T95-E98 PolarHBondContact O-N 3.25Å; T95-E98 VanDerWaalsContact O-N 3.13Å; T95-E98 VanDerWaalsContact O-O 3.09Å; T95-E98 PolarHBondContact OG1-N 2.89Å; T95-E98 VanDerWaalsContact OG1-N 3.1Å
99	L	94.3	Very high	92.7	Very high	76 Å²	76	41.3 Å²	41.3	40%	0.398	26%	0.261	S	S	.	.			trans	-73.4	138	175.8	-57.5	178	0	0	0	110.5	E94	E94-L99 HydrophobicContact CG-CD2 4.39Å; E94-L99 VanDerWaalsContact OE1-CD2 3.26Å; E94-L99 WeakPolarHBondContact OE1-CD2 3.27Å
100	I	95.1	Very high	92.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	26%	0.263	C	S	.	.			trans	-123.4	-47.8	-175.6	-60.4	171	0	0	0	111.5	I12 I19 V67 I92 E94 P103 L104	I12-I100 HydrophobicContact CD1-CG2 3.96Å; I12-I100 HydrophobicContact CG2-CG2 4.4Å; I19-I100 HydrophobicContact CD1-CD1 3.7Å; I19-I100 HydrophobicContact CD1-CG1 4.16Å; V67-I100 HydrophobicContact CG1-CB 4.06Å; V67-I100 HydrophobicContact CG1-CD1 3.92Å; V67-I100 HydrophobicContact CG1-CG2 3.78Å; V67-I100 HydrophobicContact CG2-CG2 4.35Å; I92-I100 HydrophobicContact CG2-CD1 3.66Å; E94-I100 VanDerWaalsContact CD-N 3.29Å; E94-I100 PolarHBondContact OE2-N 3.45Å; I100-P103 WeakPolarHBondContact O-CD 3.05Å; I100-L104 HydrophobicContact CG2-CD1 3.77Å; I100-L104 HydrophobicContact CG2-CG 4.47Å; I100-L104 WeakPolarHBondContact O-CB 3.47Å; I100-L104 VanDerWaalsContact O-CG 3.32Å; I100-L104 WeakPolarHBondContact O-CG 3.35Å; I100-L104 PolarHBondContact O-N 2.55Å; I100-L104 VanDerWaalsContact O-N 3.16Å
101	W	94	Very high	92.5	Very high	27 Å²	27	39 Å²	39	10%	0.102	25%	0.249	C	C	.	.	H	α-helix	trans	-63.2	-47.6	-175.4	-73.2	45.5	0	0	0	111.6	L32 V67 P69 E94 L104 G105 G106 K108	L32-W101 HydrophobicContact CB-CD2 4.07Å; L32-W101 HydrophobicContact CB-CE3 4.28Å; L32-W101 HydrophobicContact CB-CH2 4Å; L32-W101 HydrophobicContact CB-CZ2 3.75Å; L32-W101 HydrophobicContact CB-CZ3 4.26Å; L32-W101 HydrophobicContact CD1-CB 4.32Å; L32-W101 HydrophobicContact CD1-CD2 3.9Å; L32-W101 HydrophobicContact CD1-CE3 4.14Å; L32-W101 HydrophobicContact CD1-CG 3.99Å; L32-W101 HydrophobicContact CD2-CD2 4.34Å; L32-W101 HydrophobicContact CD2-CG 4.2Å; L32-W101 HydrophobicContact CG-CD2 4.32Å; V67-W101 WeakPolarHBondContact O-CZ2 3.38Å; V67-W101 PolarHBondContact O-NE1 3.43Å; P69-W101 HydrophobicContact CB-CH2 4.15Å; P69-W101 HydrophobicContact CB-CZ2 3.82Å; P69-W101 HydrophobicContact CG-CH2 4.44Å; P69-W101 HydrophobicContact CG-CZ2 4.19Å; E94-W101 WeakPolarHBondContact OE2-CB 3.44Å; E94-W101 PolarHBondContact OE2-N 2.89Å; W101-L104 PolarHBondContact O-N 2.9Å; W101-G105 PolarHBondContact O-N 2.83Å; W101-G105 VanDerWaalsContact O-N 3.13Å; W101-G106 PolarHBondContact O-N 2.78Å; W101-K108 HydrophobicContact CH2-CB 4.35Å; W101-K108 VanDerWaalsContact CZ3-CA 3.49Å; W101-K108 HydrophobicContact CZ3-CB 4.02Å
102	N	91	Very high	92.4	Very high	123 Å²	123	38.8 Å²	38.8	66%	0.658	25%	0.248	S	C	*	.	H	α-helix	trans	-62.8	-50.6	-179.4	-75.2	-18.1	0	0	0	112.7	L104 G105	N102-L104 VanDerWaalsContact C-N 3.3Å; N102-L104 PolarHBondContact O-N 2.8Å; N102-G105 PolarHBondContact O-N 2.82Å
103	P	92.6	Very high	92.3	Very high	66 Å²	66	38.4 Å²	38.4	43%	0.429	25%	0.246	S	C	.	.	H	α-helix	trans	-59.4	-36.1	174.8	-28	35.9	0	0	0	114.4	P10 I12 I100 G105	P10-P103 HydrophobicContact CB-CB 4.2Å; P10-P103 HydrophobicContact CG-CB 4.31Å; P10-P103 WeakPolarHBondContact CG-O 3.32Å; I12-P103 HydrophobicContact CG2-CB 3.8Å; I12-P103 HydrophobicContact CG2-CG 4.28Å; I100-P103 WeakPolarHBondContact O-CD 3.05Å; P103-G105 PolarHBondContact O-N 2.83Å
104	L	92.3	Very high	92.3	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-66.7	-20.4	174.5	-74.6	173.4	0	0	0	112.6	P3 P10 I12 I30 L32 I100 W101 N102 G106 F112 Y114	P3-L104 WeakPolarHBondContact CG-O 3.37Å; P10-L104 HydrophobicContact CG-CD2 3.84Å; P10-L104 HydrophobicContact CG-CG 4.41Å; I12-L104 HydrophobicContact CD1-CD1 4.2Å; I12-L104 HydrophobicContact CD1-CD2 4.06Å; I12-L104 HydrophobicContact CD1-CG 4.21Å; I30-L104 HydrophobicContact CG2-CD1 4.29Å; L32-L104 HydrophobicContact CD2-CD1 4.01Å; I100-L104 HydrophobicContact CG2-CD1 3.77Å; I100-L104 HydrophobicContact CG2-CG 4.47Å; I100-L104 WeakPolarHBondContact O-CB 3.47Å; I100-L104 VanDerWaalsContact O-CG 3.32Å; I100-L104 WeakPolarHBondContact O-CG 3.35Å; I100-L104 PolarHBondContact O-N 2.55Å; I100-L104 VanDerWaalsContact O-N 3.16Å; W101-L104 PolarHBondContact O-N 2.9Å; N102-L104 VanDerWaalsContact C-N 3.3Å; N102-L104 PolarHBondContact O-N 2.8Å; L104-G106 PolarHBondContact O-N 3.11Å; L104-F112 HydrophobicContact CB-CE1 4.11Å; L104-F112 HydrophobicContact CB-CE2 4.29Å; L104-F112 HydrophobicContact CB-CZ 3.82Å; L104-F112 HydrophobicContact CD1-CE2 4.47Å; L104-F112 VanDerWaalsContact O-CE1 3.3Å; L104-F112 WeakPolarHBondContact O-CE1 3.29Å; L104-Y114 VanDerWaalsContact CD2-OH 3.31Å; L104-Y114 WeakPolarHBondContact CD2-OH 3.49Å
105	G	88.5	Confident	92.1	Very high	40 Å²	40	36.4 Å²	36.4	41%	0.412	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	22.7	-175.3	0	0	0	0	0	113	W101 N102 P103	W101-G105 PolarHBondContact O-N 2.83Å; W101-G105 VanDerWaalsContact O-N 3.13Å; N102-G105 PolarHBondContact O-N 2.82Å; P103-G105 PolarHBondContact O-N 2.83Å
106	G	87.2	Confident	91.8	Very high	12 Å²	12	37.1 Å²	37.1	12%	0.124	23%	0.233	C	C	.	.			trans	-106.8	154.9	-177.9	0	0	0	0	0	113.4	W101 L104 D110	W101-G106 PolarHBondContact O-N 2.78Å; L104-G106 PolarHBondContact O-N 3.11Å; G106-D110 WeakPolarHBondContact CA-OD2 3.25Å
107	G	88.4	Confident	91.7	Very high	30 Å²	30	34.8 Å²	34.8	31%	0.309	21%	0.211	S	C	.	.			trans	-108.1	-170.3	172.1	0	0	0	0	0	113.4	L32 F109 D110	L32-G107 WeakPolarHBondContact CB-O 3.3Å; G107-F109 PolarHBondContact O-N 3.2Å; G107-D110 PolarHBondContact N-OD2 2.82Å; G107-D110 WeakPolarHBondContact O-CB 3.34Å; G107-D110 PolarHBondContact O-N 3.38Å; G107-D110 VanDerWaalsContact O-N 3.09Å
108	K	88.7	Confident	91.6	Very high	84 Å²	84	31.1 Å²	31.1	37%	0.365	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	128.9	-179.6	-178.4	-178.3	-179.7	156.6	0	111.2	E34 W101 D110 Y126	E34-K108 WeakPolarHBondContact OE1-CD 3.35Å; E34-K108 VanDerWaalsContact OE1-CE 3.25Å; E34-K108 WeakPolarHBondContact OE1-CE 3.38Å; E34-K108 IonicContact OE1-NZ 3Å; E34-K108 PolarHBondContact OE1-NZ 2.75Å; E34-K108 VanDerWaalsContact OE2-CE 3.27Å; E34-K108 WeakPolarHBondContact OE2-CE 3.41Å; E34-K108 IonicContact OE2-NZ 3.3Å; E34-K108 PolarHBondContact OE2-NZ 3.07Å; W101-K108 HydrophobicContact CH2-CB 4.35Å; W101-K108 VanDerWaalsContact CZ3-CA 3.49Å; W101-K108 HydrophobicContact CZ3-CB 4.02Å; K108-D110 PolarHBondContact O-N 2.73Å; K108-Y126 VanDerWaalsContact O-CB 3.3Å; K108-Y126 WeakPolarHBondContact O-CB 3.39Å
109	F	87.5	Confident	91.6	Very high	10 Å²	10	30.9 Å²	30.9	4%	0.044	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	9.4	-174.9	-54.7	-61.4	0	0	0	115.3	L32 I33 F39 C40 G107 F111 Y126 S129	L32-F109 WeakPolarHBondContact O-CA 3.42Å; L32-F109 PolarHBondContact O-N 2.8Å; I33-F109 HydrophobicContact CB-CD1 4.42Å; I33-F109 HydrophobicContact CB-CE1 4.49Å; I33-F109 HydrophobicContact CG1-CD1 4.29Å; I33-F109 HydrophobicContact CG2-CD1 3.92Å; I33-F109 HydrophobicContact CG2-CE1 3.59Å; F39-F109 HydrophobicContact CD1-CD1 4.44Å; F39-F109 HydrophobicContact CD1-CD2 4.24Å; F39-F109 AromaticContact CD1-CE1 3.82Å; F39-F109 HydrophobicContact CD1-CE1 3.82Å; F39-F109 AromaticContact CD1-CE2 3.58Å; F39-F109 HydrophobicContact CD1-CE2 3.58Å; F39-F109 AromaticContact CD1-CZ 3.38Å; F39-F109 HydrophobicContact CD1-CZ 3.38Å; F39-F109 HydrophobicContact CE1-CD1 4.07Å; F39-F109 AromaticContact CE1-CD2 3.81Å; F39-F109 HydrophobicContact CE1-CD2 3.81Å; F39-F109 AromaticContact CE1-CE1 3.92Å; F39-F109 HydrophobicContact CE1-CE1 3.92Å; F39-F109 AromaticContact CE1-CE2 3.63Å; F39-F109 HydrophobicContact CE1-CE2 3.63Å; F39-F109 HydrophobicContact CE1-CG 4.05Å; F39-F109 AromaticContact CE1-CZ 3.74Å; F39-F109 HydrophobicContact CE1-CZ 3.74Å; C40-F109 HydrophobicContact CB-CE1 4.49Å; G107-F109 PolarHBondContact O-N 3.2Å; F109-F111 WeakPolarHBondContact O-CD1 3.49Å; F109-F111 WeakPolarHBondContact O-CE1 3.27Å; F109-Y126 HydrophobicContact CB-CD2 3.49Å; F109-Y126 VanDerWaalsContact CB-CD2 3.49Å; F109-Y126 HydrophobicContact CB-CE2 4.35Å; F109-Y126 HydrophobicContact CB-CG 3.91Å; F109-Y126 AromaticContact CD2-CD2 3.85Å; F109-Y126 HydrophobicContact CD2-CD2 3.85Å; F109-Y126 AromaticContact CD2-CE2 3.96Å; F109-Y126 HydrophobicContact CD2-CE2 3.96Å; F109-Y126 HydrophobicContact CD2-CG 4.33Å; F109-Y126 HydrophobicContact CG-CD2 4.05Å; F109-Y126 HydrophobicContact CG-CE2 4.47Å; F109-S129 WeakPolarHBondContact O-CB 3.47Å; F109-S129 PolarHBondContact O-OG 3.28Å
110	D	92.6	Very high	91.4	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.064	16%	0.163	C	C	.	.			trans	-72.3	138.7	173.7	-70.5	-0.5	0	0	0	111.1	L32 G106 G107 K108 F112 Y123 P125 Y126	L32-D110 PolarHBondContact N-O 3.01Å; G106-D110 WeakPolarHBondContact CA-OD2 3.25Å; G107-D110 PolarHBondContact N-OD2 2.82Å; G107-D110 WeakPolarHBondContact O-CB 3.34Å; G107-D110 PolarHBondContact O-N 3.38Å; G107-D110 VanDerWaalsContact O-N 3.09Å; K108-D110 PolarHBondContact O-N 2.73Å; D110-F112 HydrophobicContact CB-CE2 4.17Å; D110-Y123 HydrophobicContact CB-CE2 3.8Å; D110-Y123 WeakPolarHBondContact OD2-CE2 3.42Å; D110-Y123 PolarHBondContact OD2-OH 3.34Å; D110-P125 WeakPolarHBondContact OD1-CA 3.48Å; D110-Y126 PolarHBondContact OD1-N 3.44Å
111	F	94.6	Very high	91	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.8	177.7	-62.6	-5.4	0	0	0	111.7	L29 I30 A31 I33 L47 F109 I124 S129 M131 T136	L29-F111 HydrophobicContact CD1-CB 4.01Å; L29-F111 HydrophobicContact CD1-CD2 4.3Å; L29-F111 HydrophobicContact CD1-CG 4.41Å; L29-F111 HydrophobicContact CD2-CD2 4.45Å; I30-F111 CarbonylContact O-C 3.56Å; I30-F111 VanDerWaalsContact O-CA 3.31Å; I30-F111 WeakPolarHBondContact O-CA 3.33Å; A31-F111 HydrophobicContact CB-CD1 3.48Å; A31-F111 VanDerWaalsContact CB-CD1 3.48Å; A31-F111 HydrophobicContact CB-CE1 3.47Å; A31-F111 VanDerWaalsContact CB-CE1 3.47Å; A31-F111 HydrophobicContact CB-CG 4.24Å; A31-F111 HydrophobicContact CB-CZ 4.19Å; I33-F111 HydrophobicContact CD1-CE1 4.09Å; I33-F111 HydrophobicContact CD1-CZ 4.4Å; I33-F111 HydrophobicContact CG1-CE1 4.14Å; L47-F111 HydrophobicContact CD1-CZ 4.15Å; L47-F111 HydrophobicContact CD2-CE2 4.04Å; L47-F111 HydrophobicContact CD2-CZ 4.39Å; F109-F111 WeakPolarHBondContact O-CD1 3.49Å; F109-F111 WeakPolarHBondContact O-CE1 3.27Å; F111-I124 HydrophobicContact CB-CB 4.23Å; F111-I124 PolarHBondContact N-O 3.3Å; F111-I124 PolarHBondContact O-N 2.9Å; F111-S129 WeakPolarHBondContact CE2-O 3.28Å; F111-M131 HydrophobicContact CE2-CG 4.33Å; F111-M131 HydrophobicContact CE2-SD 3.74Å; F111-M131 HydrophobicContact CZ-SD 4.47Å; F111-T136 HydrophobicContact CD2-CG2 3.68Å; F111-T136 WeakPolarHBondContact CD2-OG1 3.26Å; F111-T136 HydrophobicContact CE2-CG2 3.99Å
112	F	95.4	Very high	90.6	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.5	178.5	-59.4	-104.9	0	0	0	108.7	P3 L29 I30 L32 L104 D110 Y114 L120 Y122 Y123	P3-F112 HydrophobicContact CB-CE1 4.26Å; P3-F112 HydrophobicContact CG-CE1 3.72Å; P3-F112 HydrophobicContact CG-CZ 4.37Å; L29-F112 CarbonylContact C-O 3.57Å; L29-F112 WeakPolarHBondContact CA-O 3.27Å; I30-F112 HydrophobicContact CB-CB 4.29Å; I30-F112 PolarHBondContact N-O 2.9Å; I30-F112 PolarHBondContact O-N 2.91Å; L32-F112 HydrophobicContact CD1-CE2 3.83Å; L32-F112 HydrophobicContact CG-CE2 4.04Å; L104-F112 HydrophobicContact CB-CE1 4.11Å; L104-F112 HydrophobicContact CB-CE2 4.29Å; L104-F112 HydrophobicContact CB-CZ 3.82Å; L104-F112 HydrophobicContact CD1-CE2 4.47Å; L104-F112 VanDerWaalsContact O-CE1 3.3Å; L104-F112 WeakPolarHBondContact O-CE1 3.29Å; D110-F112 HydrophobicContact CB-CE2 4.17Å; F112-Y114 HydrophobicContact CB-CD2 4.23Å; F112-Y114 HydrophobicContact CB-CE2 3.55Å; F112-Y114 HydrophobicContact CG-CE2 4.44Å; F112-L120 HydrophobicContact CB-CD1 3.88Å; F112-L120 HydrophobicContact CD1-CD1 3.82Å; F112-L120 HydrophobicContact CD1-CD2 4.34Å; F112-L120 HydrophobicContact CG-CD1 4.36Å; F112-Y122 CarbonylContact C-O 3.57Å; F112-Y123 AromaticContact CD1-CD2 3.92Å; F112-Y123 HydrophobicContact CD1-CD2 3.92Å; F112-Y123 AromaticContact CE1-CD2 3.52Å; F112-Y123 HydrophobicContact CE1-CD2 3.52Å; F112-Y123 AromaticContact CE1-CE2 4Å; F112-Y123 HydrophobicContact CE1-CE2 4Å; F112-Y123 HydrophobicContact CE1-CG 4.5Å; F112-Y123 HydrophobicContact CE2-CD2 4.24Å; F112-Y123 HydrophobicContact CE2-CE2 4.25Å; F112-Y123 HydrophobicContact CG-CD2 4.45Å; F112-Y123 AromaticContact CZ-CD2 3.67Å; F112-Y123 HydrophobicContact CZ-CD2 3.67Å; F112-Y123 AromaticContact CZ-CE2 3.69Å; F112-Y123 HydrophobicContact CZ-CE2 3.69Å
113	V	92.8	Very high	90.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	115.3	176.1	-177	0	0	0	0	108.5	V27 T28 L29 N121 Y122 I124 L140 T143	V27-V113 HydrophobicContact CG1-CG1 4.33Å; T28-V113 CarbonylContact O-C 3.55Å; T28-V113 WeakPolarHBondContact O-CA 3.36Å; L29-V113 HydrophobicContact CD1-CG2 3.56Å; V113-N121 WeakPolarHBondContact O-CA 3.27Å; V113-N121 WeakPolarHBondContact O-CB 3.11Å; V113-N121 PolarHBondContact O-N 3.14Å; V113-Y122 PolarHBondContact N-O 2.8Å; V113-Y122 PolarHBondContact O-N 2.88Å; V113-Y122 VanDerWaalsContact O-N 3.11Å; V113-I124 HydrophobicContact CG2-CD1 4.18Å; V113-L140 HydrophobicContact CG1-CD2 3.9Å; V113-L140 HydrophobicContact CG1-CG 4.43Å; V113-L140 HydrophobicContact CG2-CD2 4.46Å; V113-L140 HydrophobicContact CG2-CG 4.4Å; V113-T143 HydrophobicContact CG1-CG2 4.22Å; V113-T143 VanDerWaalsContact CG1-OG1 3.31Å; V113-T143 WeakPolarHBondContact CG1-OG1 3.37Å
114	Y	94	Very high	90.1	Very high	3 Å²	3	21.8 Å²	21.8	1%	0.012	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	142.6	176.8	-68.4	-90.2	0	0	0	111.3	A9 M20 V27 T28 I30 L104 F112 R119 L120	A9-Y114 HydrophobicContact CB-CD1 4.23Å; A9-Y114 HydrophobicContact CB-CE1 3.48Å; A9-Y114 VanDerWaalsContact CB-CE1 3.48Å; M20-Y114 HydrophobicContact CE-CD1 3.99Å; M20-Y114 HydrophobicContact CE-CD2 3.96Å; M20-Y114 HydrophobicContact CE-CG 3.62Å; M20-Y114 HydrophobicContact SD-CD2 4.39Å; V27-Y114 WeakPolarHBondContact CA-O 3.33Å; T28-Y114 PolarHBondContact N-O 2.97Å; T28-Y114 PolarHBondContact O-N 3.08Å; I30-Y114 HydrophobicContact CD1-CD2 4.24Å; I30-Y114 HydrophobicContact CD1-CE2 3.81Å; I30-Y114 HydrophobicContact CG1-CD2 4.36Å; I30-Y114 HydrophobicContact CG1-CE2 4.24Å; L104-Y114 VanDerWaalsContact CD2-OH 3.31Å; L104-Y114 WeakPolarHBondContact CD2-OH 3.49Å; F112-Y114 HydrophobicContact CB-CD2 4.23Å; F112-Y114 HydrophobicContact CB-CE2 3.55Å; F112-Y114 HydrophobicContact CG-CE2 4.44Å; Y114-R119 CarbonylContact C-O 3.49Å; Y114-R119 VanDerWaalsContact CA-O 3.27Å; Y114-R119 WeakPolarHBondContact CA-O 3.2Å; Y114-L120 HydrophobicContact CD1-CB 4.18Å; Y114-L120 HydrophobicContact CE1-CB 3.72Å; Y114-L120 HydrophobicContact CE1-CD1 4.12Å; Y114-L120 HydrophobicContact CE2-CD1 4.23Å
115	D	90.5	Very high	89.7	Confident	12 Å²	12	22.2 Å²	22.2	6%	0.064	13%	0.128	C	C	.	.			trans	-74.3	174.2	171.4	75.6	5.5	0	0	0	111.9	C117 G118 R119 T143	D115-C117 PolarHBondContact O-N 2.91Å; D115-C117 VanDerWaalsContact O-N 3.12Å; D115-C117 VanDerWaalsContact OD1-CA 3.29Å; D115-C117 WeakPolarHBondContact OD1-CA 3.43Å; D115-C117 VanDerWaalsContact OD1-CB 3.27Å; D115-C117 WeakPolarHBondContact OD1-CB 3.44Å; D115-C117 PolarHBondContact OD1-N 3.12Å; D115-G118 PolarHBondContact O-N 3.28Å; D115-G118 PolarHBondContact OD1-N 3.37Å; D115-G118 VanDerWaalsContact OD1-N 3.08Å; D115-R119 PolarHBondContact N-O 2.79Å; D115-R119 PolarHBondContact OD1-N 3.39Å; D115-R119 IonicContact OD1-NE 2.59Å; D115-R119 IonicContact OD2-CZ 3.35Å; D115-R119 IonicContact OD2-NE 3.61Å; D115-R119 PolarHBondContact OD2-NE 2.99Å; D115-R119 VanDerWaalsContact OD2-NE 3.1Å; D115-R119 IonicContact OD2-NH2 2.65Å; D115-R119 PolarHBondContact OD2-NH2 3.06Å; D115-T143 HydrophobicContact CB-CG2 4Å
116	R	89.5	Confident	89.1	Confident	70 Å²	70	24.7 Å²	24.7	26%	0.264	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.7	178.3	-62.3	-178.9	-75.7	-98.1	-0.5	113.5	G25 V27 E60 G118 H144	G25-R116 WeakPolarHBondContact CA-O 3.06Å; G25-R116 PolarHBondContact N-O 3.34Å; V27-R116 HydrophobicContact CG2-CG 4.01Å; E60-R116 IonicContact OE1-NH1 3.43Å; E60-R116 WeakPolarHBondContact OE2-CD 3.19Å; E60-R116 IonicContact OE2-CZ 2.75Å; E60-R116 IonicContact OE2-NE 3.81Å; E60-R116 IonicContact OE2-NH1 3.98Å; E60-R116 PolarHBondContact OE2-NH1 3.03Å; R116-G118 VanDerWaalsContact C-N 3.33Å; R116-H144 PolarHBondContact NH1-O 3.1Å
117	C	90.4	Very high	88.5	Confident	34 Å²	34	24.5 Å²	24.5	23%	0.23	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-0	177.7	-40.5	0	0	0	0	112.4	D115 R119 C152	D115-C117 PolarHBondContact O-N 2.91Å; D115-C117 VanDerWaalsContact O-N 3.12Å; D115-C117 VanDerWaalsContact OD1-CA 3.29Å; D115-C117 WeakPolarHBondContact OD1-CA 3.43Å; D115-C117 VanDerWaalsContact OD1-CB 3.27Å; D115-C117 WeakPolarHBondContact OD1-CB 3.44Å; D115-C117 PolarHBondContact OD1-N 3.12Å; C117-R119 HydrophobicContact CB-CG 4.47Å; C117-R119 PolarHBondContact SG-NH2 3.16Å; C117-C152 HydrophobicContact CB-CB 3.76Å; C117-C152 WeakPolarHBondContact CB-SG 3.04Å; C117-C152 WeakPolarHBondContact SG-CA 3.45Å; C117-C152 WeakPolarHBondContact SG-CB 3.4Å; C117-C152 CovalentContact SG-SG 2.03Å; C117-C152 PolarHBondContact SG-SG 3.14Å
118	G	91.3	Very high	87.6	Confident	18 Å²	18	25.1 Å²	25.1	19%	0.186	12%	0.117	C	C	.	.	S	Bend	trans	77.1	20.1	-177.2	0	0	0	0	0	114.4	A9 D115 R116	A9-G118 PolarHBondContact N-O 3.18Å; D115-G118 PolarHBondContact O-N 3.28Å; D115-G118 PolarHBondContact OD1-N 3.37Å; D115-G118 VanDerWaalsContact OD1-N 3.08Å; R116-G118 VanDerWaalsContact C-N 3.33Å
119	R	91.9	Very high	87.3	Confident	23 Å²	23	21.1 Å²	21.1	9%	0.087	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-101	143.3	177	-59.9	174.5	-60.1	-171.3	0.4	111.3	Q7 Y114 D115 C117 N121 C149 G150 P151	Q7-R119 CarbonylContact O-C 3.59Å; Q7-R119 VanDerWaalsContact O-CA 3.26Å; Q7-R119 WeakPolarHBondContact O-CA 3.44Å; Y114-R119 CarbonylContact C-O 3.49Å; Y114-R119 VanDerWaalsContact CA-O 3.27Å; Y114-R119 WeakPolarHBondContact CA-O 3.2Å; D115-R119 PolarHBondContact N-O 2.79Å; D115-R119 PolarHBondContact OD1-N 3.39Å; D115-R119 IonicContact OD1-NE 2.59Å; D115-R119 IonicContact OD2-CZ 3.35Å; D115-R119 IonicContact OD2-NE 3.61Å; D115-R119 PolarHBondContact OD2-NE 2.99Å; D115-R119 VanDerWaalsContact OD2-NE 3.1Å; D115-R119 IonicContact OD2-NH2 2.65Å; D115-R119 PolarHBondContact OD2-NH2 3.06Å; C117-R119 HydrophobicContact CB-CG 4.47Å; C117-R119 PolarHBondContact SG-NH2 3.16Å; R119-N121 PolarHBondContact O-N 2.94Å; R119-N121 VanDerWaalsContact O-N 3.14Å; R119-C149 VanDerWaalsContact CZ-CB 3.45Å; R119-C149 PolarHBondContact NH1-O 3.27Å; R119-C149 PolarHBondContact NH2-O 2.03Å; R119-G150 PolarHBondContact NH2-O 3.32Å; R119-P151 PolarHBondContact NH1-O 2.74Å
120	L	91.9	Very high	86.9	Confident	7 Å²	7	23.3 Å²	23.3	4%	0.037	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	110.9	-178.8	-179.5	62.9	0	0	0	110.1	P3 T5 C6 Q7 F112 Y114 Y122	P3-L120 HydrophobicContact CB-CD2 3.53Å; T5-L120 CarbonylContact C-O 3.55Å; T5-L120 WeakPolarHBondContact CA-O 3.29Å; C6-L120 PolarHBondContact N-O 3.08Å; Q7-L120 PolarHBondContact O-N 2.91Å; F112-L120 HydrophobicContact CB-CD1 3.88Å; F112-L120 HydrophobicContact CD1-CD1 3.82Å; F112-L120 HydrophobicContact CD1-CD2 4.34Å; F112-L120 HydrophobicContact CG-CD1 4.36Å; Y114-L120 HydrophobicContact CD1-CB 4.18Å; Y114-L120 HydrophobicContact CE1-CB 3.72Å; Y114-L120 HydrophobicContact CE1-CD1 4.12Å; Y114-L120 HydrophobicContact CE2-CD1 4.23Å; L120-Y122 WeakPolarHBondContact CD1-O 3.31Å
121	N	85.4	Confident	86.4	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-43.2	178.9	-154.8	30.4	0	0	0	112	V113 R119 T143 R148	V113-N121 WeakPolarHBondContact O-CA 3.27Å; V113-N121 WeakPolarHBondContact O-CB 3.11Å; V113-N121 PolarHBondContact O-N 3.14Å; R119-N121 PolarHBondContact O-N 2.94Å; R119-N121 VanDerWaalsContact O-N 3.14Å; N121-T143 HydrophobicContact CB-CG2 4.11Å; N121-T143 WeakPolarHBondContact ND2-CA 2.95Å; N121-T143 WeakPolarHBondContact ND2-CB 3.43Å; N121-T143 WeakPolarHBondContact ND2-CG2 3.4Å; N121-T143 PolarHBondContact ND2-OG1 3.11Å; N121-R148 VanDerWaalsContact OD1-CB 3.28Å; N121-R148 WeakPolarHBondContact OD1-CB 3.31Å; N121-R148 VanDerWaalsContact OD1-CD 3.29Å; N121-R148 WeakPolarHBondContact OD1-CD 3.04Å
122	Y	86.9	Confident	85.1	Confident	50 Å²	50	25.3 Å²	25.3	20%	0.196	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	131.5	176.1	-64.2	-86.9	0	0	0	111	F112 V113 L120 S139 S142 R148	F112-Y122 CarbonylContact C-O 3.57Å; V113-Y122 PolarHBondContact N-O 2.8Å; V113-Y122 PolarHBondContact O-N 2.88Å; V113-Y122 VanDerWaalsContact O-N 3.11Å; L120-Y122 WeakPolarHBondContact CD1-O 3.31Å; Y122-S139 VanDerWaalsContact CG-OG 3.3Å; Y122-S142 PolarHBondContact OH-OG 2.99Å; Y122-R148 PolarHBondContact OH-NH1 3.38Å
123	Y	88.6	Confident	83.9	Confident	41 Å²	41	26.5 Å²	26.5	16%	0.161	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.5	159.4	165.8	-109.2	0	0	0	107.8	E2 P3 D110 F112 P125	E2-Y123 HydrophobicContact CG-CD1 3.51Å; E2-Y123 HydrophobicContact CG-CE1 3.54Å; P3-Y123 HydrophobicContact CB-CG 4.4Å; P3-Y123 HydrophobicContact CG-CD1 4.29Å; P3-Y123 HydrophobicContact CG-CD2 3.82Å; P3-Y123 HydrophobicContact CG-CE2 4.07Å; P3-Y123 HydrophobicContact CG-CG 3.9Å; D110-Y123 HydrophobicContact CB-CE2 3.8Å; D110-Y123 WeakPolarHBondContact OD2-CE2 3.42Å; D110-Y123 PolarHBondContact OD2-OH 3.34Å; F112-Y123 AromaticContact CD1-CD2 3.92Å; F112-Y123 HydrophobicContact CD1-CD2 3.92Å; F112-Y123 AromaticContact CE1-CD2 3.52Å; F112-Y123 HydrophobicContact CE1-CD2 3.52Å; F112-Y123 AromaticContact CE1-CE2 4Å; F112-Y123 HydrophobicContact CE1-CE2 4Å; F112-Y123 HydrophobicContact CE1-CG 4.5Å; F112-Y123 HydrophobicContact CE2-CD2 4.24Å; F112-Y123 HydrophobicContact CE2-CE2 4.25Å; F112-Y123 HydrophobicContact CG-CD2 4.45Å; F112-Y123 AromaticContact CZ-CD2 3.67Å; F112-Y123 HydrophobicContact CZ-CD2 3.67Å; F112-Y123 AromaticContact CZ-CE2 3.69Å; F112-Y123 HydrophobicContact CZ-CE2 3.69Å; Y123-P125 HydrophobicContact CE1-CB 3.75Å; Y123-P125 HydrophobicContact CE1-CG 4.01Å
124	I	83.7	Confident	82.9	Confident	3 Å²	3	27.9 Å²	27.9	2%	0.015	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	95.9	-175.9	-45.3	176.4	0	0	0	107	F111 V113 Q128	F111-I124 HydrophobicContact CB-CB 4.23Å; F111-I124 PolarHBondContact N-O 3.3Å; F111-I124 PolarHBondContact O-N 2.9Å; V113-I124 HydrophobicContact CG2-CD1 4.18Å; I124-Q128 HydrophobicContact CG2-CB 3.98Å
125	P	82.9	Confident	82	Confident	16 Å²	16	29.9 Å²	29.9	10%	0.104	14%	0.135	C	C	.	.			trans	-69.3	150.1	-179.4	26.9	-32.7	0	0	0	111.1	D110 Y123 Q128 S129	D110-P125 WeakPolarHBondContact OD1-CA 3.48Å; Y123-P125 HydrophobicContact CE1-CB 3.75Å; Y123-P125 HydrophobicContact CE1-CG 4.01Å; P125-Q128 WeakPolarHBondContact O-CA 3.24Å; P125-Q128 VanDerWaalsContact O-CB 3.27Å; P125-Q128 WeakPolarHBondContact O-CB 3.4Å; P125-Q128 PolarHBondContact O-N 3.48Å; P125-S129 PolarHBondContact O-N 3.17Å; P125-S129 VanDerWaalsContact O-N 3.08Å
126	Y	76.9	Confident	81.6	Confident	92 Å²	92	29.3 Å²	29.3	36%	0.361	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	138.4	163.2	-178.6	-98.2	0	0	0	109.8	F39 K108 F109 D110 S129	F39-Y126 HydrophobicContact CE1-CE2 4.13Å; F39-Y126 HydrophobicContact CZ-CE2 4.08Å; K108-Y126 VanDerWaalsContact O-CB 3.3Å; K108-Y126 WeakPolarHBondContact O-CB 3.39Å; F109-Y126 HydrophobicContact CB-CD2 3.49Å; F109-Y126 VanDerWaalsContact CB-CD2 3.49Å; F109-Y126 HydrophobicContact CB-CE2 4.35Å; F109-Y126 HydrophobicContact CB-CG 3.91Å; F109-Y126 AromaticContact CD2-CD2 3.85Å; F109-Y126 HydrophobicContact CD2-CD2 3.85Å; F109-Y126 AromaticContact CD2-CE2 3.96Å; F109-Y126 HydrophobicContact CD2-CE2 3.96Å; F109-Y126 HydrophobicContact CD2-CG 4.33Å; F109-Y126 HydrophobicContact CG-CD2 4.05Å; F109-Y126 HydrophobicContact CG-CE2 4.47Å; D110-Y126 PolarHBondContact OD1-N 3.44Å; Y126-S129 WeakPolarHBondContact CA-OG 3.44Å
127	P	73.5	Confident	81.1	Confident	8 Å²	8	26.2 Å²	26.2	5%	0.052	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.4	6.3	4.7	37.3	-37.6	0	0	0	116.2	S129 F130 Y133 F545 Y546	P127-S129 PolarHBondContact O-N 3.41Å; P127-F130 WeakPolarHBondContact O-CB 3.46Å; P127-F130 PolarHBondContact O-N 3.07Å; P127-Y133 WeakPolarHBondContact O-CD2 3.46Å; P127-Y133 WeakPolarHBondContact O-CE2 3.41Å; P127-F545 HydrophobicContact CG-CB 3.59Å; P127-F545 HydrophobicContact CG-CG 4.4Å; P127-F545 WeakPolarHBondContact CG-O 3.48Å; P127-Y546 HydrophobicContact CB-CE1 4.44Å; P127-Y546 HydrophobicContact CG-CD2 4.41Å; P127-Y546 HydrophobicContact CG-CE1 4.22Å; P127-Y546 HydrophobicContact CG-CE2 3.99Å
128	Q	70.5	Confident	80.2	Confident	43 Å²	43	26.2 Å²	26.2	20%	0.201	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.1	176.3	-60.5	174.2	1.4	0	0	112	I124 P125 F130 Y135	I124-Q128 HydrophobicContact CG2-CB 3.98Å; P125-Q128 WeakPolarHBondContact O-CA 3.24Å; P125-Q128 VanDerWaalsContact O-CB 3.27Å; P125-Q128 WeakPolarHBondContact O-CB 3.4Å; P125-Q128 PolarHBondContact O-N 3.48Å; Q128-F130 PolarHBondContact O-N 2.97Å; Q128-Y135 HydrophobicContact CB-CD2 3.71Å; Q128-Y135 HydrophobicContact CB-CE2 4Å; Q128-Y135 HydrophobicContact CB-CG 4.21Å; Q128-Y135 HydrophobicContact CG-CD2 4.37Å; Q128-Y135 HydrophobicContact CG-CE2 4.16Å; Q128-Y135 VanDerWaalsContact O-CD2 3.24Å; Q128-Y135 WeakPolarHBondContact O-CD2 3.35Å
129	S	81.6	Confident	79.7	Confident	0 Å²	0	26 Å²	26	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-11	172.8	59.1	0	0	0	0	114.1	F109 F111 P125 Y126 P127 M131	F109-S129 WeakPolarHBondContact O-CB 3.47Å; F109-S129 PolarHBondContact O-OG 3.28Å; F111-S129 WeakPolarHBondContact CE2-O 3.28Å; P125-S129 PolarHBondContact O-N 3.17Å; P125-S129 VanDerWaalsContact O-N 3.08Å; Y126-S129 WeakPolarHBondContact CA-OG 3.44Å; P127-S129 PolarHBondContact O-N 3.41Å; S129-M131 PolarHBondContact O-N 3.23Å; S129-M131 VanDerWaalsContact O-N 3.08Å
130	F	79.6	Confident	79.4	Confident	56 Å²	56	24.9 Å²	24.9	25%	0.246	11%	0.112	C	C	.	.			trans	-56.9	119.7	177.9	-175	-164.1	0	0	0	109.3	F39 P127 Q128 Y132 Y133	F39-F130 HydrophobicContact CD2-CE2 4.37Å; F39-F130 AromaticContact CE2-CD2 3.62Å; F39-F130 HydrophobicContact CE2-CD2 3.62Å; F39-F130 HydrophobicContact CE2-CE1 4.39Å; F39-F130 AromaticContact CE2-CE2 3.31Å; F39-F130 HydrophobicContact CE2-CE2 3.31Å; F39-F130 HydrophobicContact CE2-CG 4.33Å; F39-F130 AromaticContact CE2-CZ 3.74Å; F39-F130 HydrophobicContact CE2-CZ 3.74Å; F39-F130 AromaticContact CZ-CD2 3.59Å; F39-F130 HydrophobicContact CZ-CD2 3.59Å; F39-F130 AromaticContact CZ-CE2 3.81Å; F39-F130 HydrophobicContact CZ-CE2 3.81Å; F39-F130 HydrophobicContact CZ-CG 4.15Å; F39-F130 HydrophobicContact CZ-CZ 4.49Å; P127-F130 WeakPolarHBondContact O-CB 3.46Å; P127-F130 PolarHBondContact O-N 3.07Å; Q128-F130 PolarHBondContact O-N 2.97Å; F130-Y132 PolarHBondContact O-N 3.16Å; F130-Y133 HydrophobicContact CB-CD2 3.88Å; F130-Y133 HydrophobicContact CB-CE2 4.11Å; F130-Y133 HydrophobicContact CD1-CE2 4.21Å; F130-Y133 WeakPolarHBondContact O-CB 3.32Å; F130-Y133 PolarHBondContact O-N 2.85Å
131	M	81.3	Confident	78.7	Confident	3 Å²	3	25.2 Å²	25.2	2%	0.015	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-5.6	-174.7	-68.1	-64.1	-59.8	0	0	115.1	Q43 L47 L50 F111 S129 Y133 T136 Y204	Q43-M131 VanDerWaalsContact OE1-CG 3.29Å; L47-M131 HydrophobicContact CD2-CE 4.01Å; L47-M131 HydrophobicContact CD2-SD 3.64Å; L47-M131 HydrophobicContact CG-CE 4.48Å; L47-M131 HydrophobicContact CG-CG 4.48Å; L47-M131 HydrophobicContact CG-SD 4.18Å; L50-M131 HydrophobicContact CB-CE 4.22Å; L50-M131 HydrophobicContact CD2-CE 3.77Å; F111-M131 HydrophobicContact CE2-CG 4.33Å; F111-M131 HydrophobicContact CE2-SD 3.74Å; F111-M131 HydrophobicContact CZ-SD 4.47Å; S129-M131 PolarHBondContact O-N 3.23Å; S129-M131 VanDerWaalsContact O-N 3.08Å; M131-Y133 VanDerWaalsContact C-N 3.31Å; M131-T136 HydrophobicContact SD-CG2 3.94Å; M131-Y204 WeakPolarHBondContact CE-OH 3.49Å
132	Y	69.2	Low	78.2	Confident	51 Å²	51	26.5 Å²	26.5	20%	0.2	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-36.6	164.8	176.3	-95.6	0	0	0	111.3	F130 M208	F130-Y132 PolarHBondContact O-N 3.16Å; Y132-M208 WeakPolarHBondContact CD2-O 2.94Å; Y132-M208 WeakPolarHBondContact CE2-O 3.31Å
133	Y	69.4	Low	77.8	Confident	26 Å²	26	24.2 Å²	24.2	10%	0.102	11%	0.114	C	C	.	.	S	Bend	trans	-82.4	161.2	178.6	-56.5	-51.8	0	0	0	112.5	P127 F130 M131 Y135 L547	P127-Y133 WeakPolarHBondContact O-CD2 3.46Å; P127-Y133 WeakPolarHBondContact O-CE2 3.41Å; F130-Y133 HydrophobicContact CB-CD2 3.88Å; F130-Y133 HydrophobicContact CB-CE2 4.11Å; F130-Y133 HydrophobicContact CD1-CE2 4.21Å; F130-Y133 WeakPolarHBondContact O-CB 3.32Å; F130-Y133 PolarHBondContact O-N 2.85Å; M131-Y133 VanDerWaalsContact C-N 3.31Å; Y133-Y135 HydrophobicContact CG-CD2 4.33Å; Y133-Y135 HydrophobicContact CG-CE2 4.27Å; Y133-L547 HydrophobicContact CD1-CD1 3.64Å; Y133-L547 HydrophobicContact CE1-CB 4.39Å; Y133-L547 HydrophobicContact CE1-CD1 3.58Å; Y133-L547 HydrophobicContact CE1-CG 4.16Å
134	H	70.8	Confident	77.3	Confident	28 Å²	28	22.8 Å²	22.8	13%	0.13	11%	0.109	C	C	.	.	S	Bend	trans	-88.3	-0.3	-175.7	-60.8	-58	0	0	0	114.4	T136 I137 S138 I205 M208 D497	H134-T136 PolarHBondContact O-N 2.97Å; H134-I137 HydrophobicContact CB-CG2 3.96Å; H134-I137 WeakPolarHBondContact O-CG2 3.28Å; H134-I137 PolarHBondContact O-N 3.31Å; H134-S138 WeakPolarHBondContact O-CB 3.39Å; H134-S138 PolarHBondContact O-N 3.48Å; H134-S138 PolarHBondContact O-OG 2.8Å; H134-S138 VanDerWaalsContact O-OG 3.06Å; H134-I205 WeakPolarHBondContact CE1-CG2 3.46Å; H134-M208 WeakPolarHBondContact CE1-CE 3.33Å; H134-M208 WeakPolarHBondContact ND1-CE 3.49Å; H134-D497 IonicContact CD2-OD2 2.85Å
135	Y	76.1	Confident	76.8	Confident	45 Å²	45	25 Å²	25	18%	0.176	12%	0.117	C	C	.	.	H	α-helix	trans	-59.3	-50.4	-173.7	-62.6	-71.1	0	0	0	112.2	Q128 Y133 I137 S138 S139	Q128-Y135 HydrophobicContact CB-CD2 3.71Å; Q128-Y135 HydrophobicContact CB-CE2 4Å; Q128-Y135 HydrophobicContact CB-CG 4.21Å; Q128-Y135 HydrophobicContact CG-CD2 4.37Å; Q128-Y135 HydrophobicContact CG-CE2 4.16Å; Q128-Y135 VanDerWaalsContact O-CD2 3.24Å; Q128-Y135 WeakPolarHBondContact O-CD2 3.35Å; Y133-Y135 HydrophobicContact CG-CD2 4.33Å; Y133-Y135 HydrophobicContact CG-CE2 4.27Å; Y135-I137 PolarHBondContact O-N 3.2Å; Y135-S138 PolarHBondContact O-N 3.42Å; Y135-S139 VanDerWaalsContact O-CB 3.28Å; Y135-S139 WeakPolarHBondContact O-CB 3.44Å; Y135-S139 PolarHBondContact O-N 2.96Å; Y135-S139 PolarHBondContact O-OG 3.19Å
136	T	82.9	Confident	76.2	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-58.4	-48.8	-179.4	-51.2	0	0	0	0	112.7	L29 L47 L50 F111 M131 H134 L140	L29-T136 HydrophobicContact CD1-CG2 3.99Å; L29-T136 HydrophobicContact CD2-CG2 3.94Å; L47-T136 HydrophobicContact CD2-CG2 4.46Å; L50-T136 HydrophobicContact CD2-CG2 3.98Å; F111-T136 HydrophobicContact CD2-CG2 3.68Å; F111-T136 WeakPolarHBondContact CD2-OG1 3.26Å; F111-T136 HydrophobicContact CE2-CG2 3.99Å; M131-T136 HydrophobicContact SD-CG2 3.94Å; H134-T136 PolarHBondContact O-N 2.97Å; T136-L140 HydrophobicContact CG2-CD1 4.41Å; T136-L140 WeakPolarHBondContact O-CG 3.29Å; T136-L140 PolarHBondContact O-N 2.98Å; T136-L140 VanDerWaalsContact O-N 3.08Å
137	I	79.1	Confident	76.1	Confident	4 Å²	4	27.6 Å²	27.6	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-67.7	-41.7	-178.8	-179	166.6	0	0	0	111.8	L50 L53 F54 H134 Y135 H141 W201 Y204 I205 M208	L50-I137 HydrophobicContact CD1-CB 4.03Å; L50-I137 HydrophobicContact CD1-CD1 3.79Å; L50-I137 HydrophobicContact CD1-CG1 3.83Å; L50-I137 HydrophobicContact CD2-CB 4.43Å; L53-I137 HydrophobicContact CD2-CD1 4.22Å; F54-I137 HydrophobicContact CE2-CG1 4.43Å; H134-I137 HydrophobicContact CB-CG2 3.96Å; H134-I137 WeakPolarHBondContact O-CG2 3.28Å; H134-I137 PolarHBondContact O-N 3.31Å; Y135-I137 PolarHBondContact O-N 3.2Å; I137-H141 WeakPolarHBondContact O-CB 3.12Å; I137-H141 PolarHBondContact O-N 3.02Å; I137-W201 HydrophobicContact CD1-CE3 3.78Å; I137-W201 HydrophobicContact CD1-CH2 3.82Å; I137-W201 HydrophobicContact CD1-CZ3 3.06Å; I137-W201 HydrophobicContact CG1-CE3 4.35Å; I137-W201 HydrophobicContact CG1-CH2 3.65Å; I137-W201 HydrophobicContact CG1-CZ3 3.22Å; I137-Y204 HydrophobicContact CD1-CD1 3.43Å; I137-Y204 VanDerWaalsContact CD1-CD1 3.43Å; I137-Y204 HydrophobicContact CD1-CE1 3.44Å; I137-Y204 VanDerWaalsContact CD1-CE1 3.44Å; I137-I205 HydrophobicContact CD1-CD1 4.47Å; I137-I205 HydrophobicContact CD1-CG1 3.85Å; I137-M208 HydrophobicContact CG2-CE 4.19Å
138	S	71.5	Confident	76.2	Confident	35 Å²	35	33.6 Å²	33.6	25%	0.245	15%	0.152	C	C	.	.	H	α-helix	trans	-67.9	-40.2	177.3	-68.5	0	0	0	0	112.2	H134 Y135 H141 S142	H134-S138 WeakPolarHBondContact O-CB 3.39Å; H134-S138 PolarHBondContact O-N 3.48Å; H134-S138 PolarHBondContact O-OG 2.8Å; H134-S138 VanDerWaalsContact O-OG 3.06Å; Y135-S138 PolarHBondContact O-N 3.42Å; S138-H141 WeakPolarHBondContact O-CB 3.01Å; S138-H141 PolarHBondContact O-N 3.4Å; S138-S142 VanDerWaalsContact O-CB 3.3Å; S138-S142 WeakPolarHBondContact O-CB 3.05Å; S138-S142 PolarHBondContact O-N 2.95Å
139	S	80.6	Confident	76.7	Confident	12 Å²	12	32.6 Å²	32.6	8%	0.084	15%	0.15	C	C	.	.	H	α-helix	trans	-63.4	-44.3	175.8	-69.6	0	0	0	0	111.7	Y122 Y135 S142 T143	Y122-S139 VanDerWaalsContact CG-OG 3.3Å; Y135-S139 VanDerWaalsContact O-CB 3.28Å; Y135-S139 WeakPolarHBondContact O-CB 3.44Å; Y135-S139 PolarHBondContact O-N 2.96Å; Y135-S139 PolarHBondContact O-OG 3.19Å; S139-S142 PolarHBondContact O-N 3.18Å; S139-T143 WeakPolarHBondContact O-CB 3.43Å; S139-T143 PolarHBondContact O-N 3.44Å; S139-T143 PolarHBondContact O-OG1 3.16Å
140	L	84.3	Confident	76.7	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.6	-47.4	174.8	-77.4	167.8	0	0	0	111.7	V27 L29 L50 F54 T62 F64 V113 T136 S142 T143 H144	V27-L140 HydrophobicContact CG1-CD2 3.75Å; L29-L140 HydrophobicContact CB-CD2 4.3Å; L50-L140 HydrophobicContact CD2-CD1 3.86Å; L50-L140 HydrophobicContact CG-CD1 4.45Å; F54-L140 HydrophobicContact CD2-CD1 4.41Å; F54-L140 HydrophobicContact CE1-CB 3.8Å; F54-L140 HydrophobicContact CE2-CB 3.79Å; F54-L140 HydrophobicContact CE2-CD1 3.92Å; F54-L140 HydrophobicContact CZ-CB 3.26Å; F54-L140 HydrophobicContact CZ-CD1 4.27Å; F54-L140 HydrophobicContact CZ-CG 4.37Å; T62-L140 HydrophobicContact CG2-CD2 3.88Å; F64-L140 HydrophobicContact CE1-CD1 4.06Å; F64-L140 HydrophobicContact CZ-CD1 3.96Å; V113-L140 HydrophobicContact CG1-CD2 3.9Å; V113-L140 HydrophobicContact CG1-CG 4.43Å; V113-L140 HydrophobicContact CG2-CD2 4.46Å; V113-L140 HydrophobicContact CG2-CG 4.4Å; T136-L140 HydrophobicContact CG2-CD1 4.41Å; T136-L140 WeakPolarHBondContact O-CG 3.29Å; T136-L140 PolarHBondContact O-N 2.98Å; T136-L140 VanDerWaalsContact O-N 3.08Å; L140-S142 PolarHBondContact O-N 3.38Å; L140-T143 PolarHBondContact O-N 2.92Å; L140-H144 PolarHBondContact O-CD2 3.19Å; L140-H144 VanDerWaalsContact O-CD2 3.31Å; L140-H144 PolarHBondContact O-N 2.66Å
141	H	77.4	Confident	76.9	Confident	15 Å²	15	35.5 Å²	35.5	7%	0.069	18%	0.179	C	C	.	.	H	α-helix	trans	-55.3	-49.9	175.5	-95.3	-39.4	0	0	0	112.8	F54 Y58 I137 S138 T143 H144 R145 W201	F54-H141 AromaticContact CZ-ND1 3.97Å; Y58-H141 AromaticContact CE2-CE1 3.78Å; Y58-H141 AromaticContact CE2-ND1 3.48Å; Y58-H141 WeakPolarHBondContact CE2-ND1 3.16Å; Y58-H141 AromaticContact CZ-ND1 3.47Å; Y58-H141 PolarHBondContact OH-CE1 2.77Å; Y58-H141 PolarHBondContact OH-ND1 3.08Å; I137-H141 WeakPolarHBondContact O-CB 3.12Å; I137-H141 PolarHBondContact O-N 3.02Å; S138-H141 WeakPolarHBondContact O-CB 3.01Å; S138-H141 PolarHBondContact O-N 3.4Å; H141-T143 VanDerWaalsContact C-N 3.28Å; H141-T143 PolarHBondContact O-N 3.47Å; H141-H144 PolarHBondContact O-N 2.8Å; H141-R145 WeakPolarHBondContact O-CB 3.07Å; H141-R145 WeakPolarHBondContact O-CG 3.32Å; H141-R145 PolarHBondContact O-N 3.35Å; H141-W201 AromaticContact CD2-CH2 3.53Å; H141-W201 AromaticContact CD2-CZ3 3.34Å; H141-W201 WeakPolarHBondContact CD2-CZ3 3.32Å; H141-W201 AromaticContact CE1-CD2 3.81Å; H141-W201 AromaticContact CE1-CE2 3.44Å; H141-W201 VanDerWaalsContact CE1-CE2 3.44Å; H141-W201 AromaticContact CE1-CE3 3.75Å; H141-W201 AromaticContact CE1-CH2 3.02Å; H141-W201 WeakPolarHBondContact CE1-CH2 3.45Å; H141-W201 AromaticContact CE1-CZ2 3.11Å; H141-W201 WeakPolarHBondContact CE1-CZ2 3.47Å; H141-W201 AromaticContact CE1-CZ3 3.3Å; H141-W201 WeakPolarHBondContact CE1-CZ3 3.3Å; H141-W201 AromaticContact CG-CH2 3.83Å; H141-W201 AromaticContact ND1-CH2 3.5Å; H141-W201 AromaticContact ND1-CZ2 3.74Å; H141-W201 AromaticContact NE2-CD2 3.73Å; H141-W201 AromaticContact NE2-CE2 3.83Å; H141-W201 AromaticContact NE2-CE3 3.23Å; H141-W201 AromaticContact NE2-CH2 3.08Å; H141-W201 WeakPolarHBondContact NE2-CH2 3.31Å; H141-W201 AromaticContact NE2-CZ2 3.61Å; H141-W201 AromaticContact NE2-CZ3 2.81Å; H141-W201 WeakPolarHBondContact NE2-CZ3 3.49Å
142	S	74.4	Confident	77	Confident	27 Å²	27	38.2 Å²	38.2	19%	0.189	20%	0.198	C	C	.	.	H	α-helix	trans	-60.6	-40.4	179.2	178.1	0	0	0	0	111	Y122 S138 S139 L140 H144 R145 H146	Y122-S142 PolarHBondContact OH-OG 2.99Å; S138-S142 VanDerWaalsContact O-CB 3.3Å; S138-S142 WeakPolarHBondContact O-CB 3.05Å; S138-S142 PolarHBondContact O-N 2.95Å; S139-S142 PolarHBondContact O-N 3.18Å; L140-S142 PolarHBondContact O-N 3.38Å; S142-H144 PolarHBondContact O-N 2.85Å; S142-R145 PolarHBondContact O-N 2.85Å; S142-H146 WeakPolarHBondContact O-CA 3.27Å; S142-H146 WeakPolarHBondContact O-CB 3.36Å; S142-H146 PolarHBondContact O-N 2.98Å
143	T	78.9	Confident	77.5	Confident	3 Å²	3	39.5 Å²	39.5	2%	0.018	21%	0.212	C	C	.	.	H	α-helix	trans	-67	-35.6	179.4	-51.9	0	0	0	0	112.8	V27 V113 D115 N121 S139 L140 H141	V27-T143 HydrophobicContact CB-CG2 4.5Å; V27-T143 HydrophobicContact CG1-CG2 3.78Å; V27-T143 HydrophobicContact CG2-CG2 4.01Å; V113-T143 HydrophobicContact CG1-CG2 4.22Å; V113-T143 VanDerWaalsContact CG1-OG1 3.31Å; V113-T143 WeakPolarHBondContact CG1-OG1 3.37Å; D115-T143 HydrophobicContact CB-CG2 4Å; N121-T143 HydrophobicContact CB-CG2 4.11Å; N121-T143 WeakPolarHBondContact ND2-CA 2.95Å; N121-T143 WeakPolarHBondContact ND2-CB 3.43Å; N121-T143 WeakPolarHBondContact ND2-CG2 3.4Å; N121-T143 PolarHBondContact ND2-OG1 3.11Å; S139-T143 WeakPolarHBondContact O-CB 3.43Å; S139-T143 PolarHBondContact O-N 3.44Å; S139-T143 PolarHBondContact O-OG1 3.16Å; L140-T143 PolarHBondContact O-N 2.92Å; H141-T143 VanDerWaalsContact C-N 3.28Å; H141-T143 PolarHBondContact O-N 3.47Å
144	H	79.4	Confident	77.6	Confident	11 Å²	11	43.2 Å²	43.2	5%	0.051	23%	0.233	C	C	.	.	H	α-helix	trans	-69	-44.3	173.4	-86.4	-78.5	0	0	0	112.4	F54 Y58 T62 R116 L140 H141 S142	F54-H144 AromaticContact CD1-CD2 3.82Å; F54-H144 AromaticContact CD1-NE2 3.85Å; F54-H144 AromaticContact CE1-CD2 3.61Å; Y58-H144 HydrophobicContact CD1-CB 3.79Å; Y58-H144 AromaticContact CD1-CG 3.69Å; Y58-H144 AromaticContact CD1-ND1 3.68Å; Y58-H144 HydrophobicContact CE1-CB 3.35Å; Y58-H144 AromaticContact CE1-CG 3.75Å; T62-H144 PolarHBondContact OG1-CE1 3.11Å; T62-H144 PolarHBondContact OG1-NE2 2.05Å; R116-H144 PolarHBondContact NH1-O 3.1Å; L140-H144 PolarHBondContact O-CD2 3.19Å; L140-H144 VanDerWaalsContact O-CD2 3.31Å; L140-H144 PolarHBondContact O-N 2.66Å; H141-H144 PolarHBondContact O-N 2.8Å; S142-H144 PolarHBondContact O-N 2.85Å
145	R	71.5	Confident	77.1	Confident	48 Å²	48	49.9 Å²	49.9	18%	0.181	26%	0.263	C	S	.	.	H	α-helix	trans	-78.3	-36.9	-173.8	-70.6	-162.8	175.1	97.1	-3.5	114.3	H141 S142 Y193	H141-R145 WeakPolarHBondContact O-CB 3.07Å; H141-R145 WeakPolarHBondContact O-CG 3.32Å; H141-R145 PolarHBondContact O-N 3.35Å; S142-R145 PolarHBondContact O-N 2.85Å; R145-Y193 HydrophobicContact CG-CD1 4.35Å; R145-Y193 PolarHBondContact NE-O 2.76Å
146	H	70.7	Confident	75.4	Confident	90 Å²	90	53.1 Å²	53.1	42%	0.417	28%	0.283	S	S	.	.			trans	-127	133.6	-168	-53.2	-63.9	0	0	0	110.7	S142 R148	S142-H146 WeakPolarHBondContact O-CA 3.27Å; S142-H146 WeakPolarHBondContact O-CB 3.36Å; S142-H146 PolarHBondContact O-N 2.98Å; H146-R148 VanDerWaalsContact C-N 3.26Å; H146-R148 PolarHBondContact O-N 3.05Å; H146-R148 VanDerWaalsContact O-N 3.08Å
147	Q	75.5	Confident	73.3	Confident	73 Å²	73	60.3 Å²	60.3	34%	0.341	32%	0.32	S	S	.	.			trans	-87.9	67.8	173.5	-160.1	168.1	14.6	0	0	110.1	C149 G150	Q147-C149 PolarHBondContact O-N 3.47Å; Q147-C149 VanDerWaalsContact O-N 3.12Å; Q147-G150 VanDerWaalsContact CD-O 3.23Å; Q147-G150 WeakPolarHBondContact CG-O 3.15Å; Q147-G150 PolarHBondContact NE2-O 3.33Å; Q147-G150 PolarHBondContact O-N 3.18Å
148	R	75.1	Confident	71	Confident	135 Å²	135	64.9 Å²	64.9	51%	0.509	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-36.1	-176.2	173.3	179.3	179.9	142.4	-1.7	113.2	N121 Y122 H146	N121-R148 VanDerWaalsContact OD1-CB 3.28Å; N121-R148 WeakPolarHBondContact OD1-CB 3.31Å; N121-R148 VanDerWaalsContact OD1-CD 3.29Å; N121-R148 WeakPolarHBondContact OD1-CD 3.04Å; Y122-R148 PolarHBondContact OH-NH1 3.38Å; H146-R148 VanDerWaalsContact C-N 3.26Å; H146-R148 PolarHBondContact O-N 3.05Å; H146-R148 VanDerWaalsContact O-N 3.08Å
149	C	82.2	Confident	69.5	Low	21 Å²	21	71.9 Å²	71.9	14%	0.142	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	10.3	-178.9	-57.6	0	0	0	0	113.9	C6 R119 Q147	C6-C149 WeakPolarHBondContact CA-SG 3.44Å; C6-C149 HydrophobicContact CB-CB 3.61Å; C6-C149 WeakPolarHBondContact CB-SG 3.26Å; C6-C149 WeakPolarHBondContact SG-CA 2.96Å; C6-C149 WeakPolarHBondContact SG-CB 2.97Å; C6-C149 CovalentContact SG-SG 2.05Å; C6-C149 PolarHBondContact SG-SG 2.77Å; R119-C149 VanDerWaalsContact CZ-CB 3.45Å; R119-C149 PolarHBondContact NH1-O 3.27Å; R119-C149 PolarHBondContact NH2-O 2.03Å; Q147-C149 PolarHBondContact O-N 3.47Å; Q147-C149 VanDerWaalsContact O-N 3.12Å
150	G	81	Confident	67.2	Low	25 Å²	25	80.6 Å²	80.6	26%	0.258	42%	0.417	S	S	.	.			trans	72.7	-175	-178.1	0	0	0	0	0	114	R119 Q147	R119-G150 PolarHBondContact NH2-O 3.32Å; Q147-G150 VanDerWaalsContact CD-O 3.23Å; Q147-G150 WeakPolarHBondContact CG-O 3.15Å; Q147-G150 PolarHBondContact NE2-O 3.33Å; Q147-G150 PolarHBondContact O-N 3.18Å
151	P	83	Confident	64.7	Low	92 Å²	92	83.6 Å²	83.6	60%	0.597	45%	0.448	S	S	*	.	S	Bend	trans	-56.1	153.5	-176.9	23.2	-33	0	0	0	112.5	R119	R119-P151 PolarHBondContact NH1-O 2.74Å
152	C	83.2	Confident	62.5	Low	61 Å²	61	90.4 Å²	90.4	41%	0.412	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-65.7	140.9	176.5	-61.7	0	0	0	0	110.4	C117 I154	C117-C152 HydrophobicContact CB-CB 3.76Å; C117-C152 WeakPolarHBondContact CB-SG 3.04Å; C117-C152 WeakPolarHBondContact SG-CA 3.45Å; C117-C152 WeakPolarHBondContact SG-CB 3.4Å; C117-C152 CovalentContact SG-SG 2.03Å; C117-C152 PolarHBondContact SG-SG 3.14Å; C152-I154 PolarHBondContact O-N 3.04Å
153	P	79.9	Confident	60.5	Low	77 Å²	77	96.8 Å²	96.8	50%	0.5	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-59.1	132.2	171	-19.5	31.1	0	0	0	110.6	H155	P153-H155 PolarHBondContact O-N 3.44Å
154	I	71.8	Confident	58	Low	105 Å²	105	106.3 Å²	106.3	54%	0.538	56%	0.559	S	S	.	*			trans	-80.4	112.3	172.3	-57.4	-172.4	0	0	0	108	C152 L156 L180	C152-I154 PolarHBondContact O-N 3.04Å; I154-L156 HydrophobicContact CG2-CD2 4.45Å; I154-L156 HydrophobicContact CG2-CG 4.5Å; I154-L156 PolarHBondContact O-N 3.27Å; I154-L180 HydrophobicContact CD1-CD1 3.53Å; I154-L180 HydrophobicContact CD1-CD2 3.91Å; I154-L180 HydrophobicContact CD1-CG 4.21Å
155	H	60.6	Low	55.5	Low	167 Å²	167	112.4 Å²	112.4	77%	0.773	60%	0.596	S	S	*	*			trans	-77.2	97.5	167.5	-70.5	-84.8	0	0	0	108.4	P153 I157	P153-H155 PolarHBondContact O-N 3.44Å; H155-I157 PolarHBondContact O-N 2.86Å
156	L	40.5	Very low	53.4	Low	114 Å²	114	113.9 Å²	113.9	60%	0.597	62%	0.618	S	S	*	*			trans	-65.4	104.7	168.6	-69.6	165.2	0	0	0	107.8	I154 S158 F176	I154-L156 HydrophobicContact CG2-CD2 4.45Å; I154-L156 HydrophobicContact CG2-CG 4.5Å; I154-L156 PolarHBondContact O-N 3.27Å; L156-S158 PolarHBondContact O-N 3.11Å; L156-F176 HydrophobicContact CD1-CB 4.39Å
157	I	38.7	Very low	51.2	Low	152 Å²	152	118.9 Å²	118.9	78%	0.779	64%	0.642	S	S	*	*			trans	-67.8	102.9	172	-57.6	173.4	0	0	0	106.2	H155 E159	H155-I157 PolarHBondContact O-N 2.86Å; I157-E159 PolarHBondContact O-N 3.01Å
158	S	31.5	Very low	49	Very low	99 Å²	99	123.5 Å²	123.5	69%	0.692	66%	0.664	S	S	*	*			trans	-68.6	102.3	166.7	178.7	0	0	0	0	107	L156 K160	L156-S158 PolarHBondContact O-N 3.11Å; S158-K160 PolarHBondContact O-N 3.24Å
159	E	38.6	Very low	46.6	Very low	182 Å²	182	123.3 Å²	123.3	85%	0.85	68%	0.678	S	S	*	*			trans	-58.2	92.1	164.2	-71.5	-178.6	163.4	0	0	107.6	I157 G161	I157-E159 PolarHBondContact O-N 3.01Å; E159-G161 PolarHBondContact O-N 3.09Å
160	K	33.6	Very low	44	Very low	195 Å²	195	130.9 Å²	130.9	85%	0.848	71%	0.709	S	S	*	*			trans	-68.1	85.8	165	-93.7	-175.4	174.6	178.3	0	107.5	S158 N162	S158-K160 PolarHBondContact O-N 3.24Å; K160-N162 PolarHBondContact O-N 2.97Å
161	G	31.1	Very low	41.4	Very low	63 Å²	63	133.8 Å²	133.8	65%	0.649	73%	0.73	S	S	*	*			trans	-53.3	127.3	149	0	0	0	0	0	108.4	E159 N163	E159-G161 PolarHBondContact O-N 3.09Å; G161-N163 PolarHBondContact O-N 3.1Å
162	N	30.7	Very low	38.9	Very low	158 Å²	158	135.5 Å²	135.5	85%	0.845	73%	0.734	S	S	*	*	S	Bend	trans	-40.3	104	172.9	-76.7	-29.8	0	0	0	111.6	K160	K160-N162 PolarHBondContact O-N 2.97Å
163	N	33.8	Very low	36.3	Very low	162 Å²	162	137.4 Å²	137.4	87%	0.866	75%	0.748	S	S	*	*			trans	-152.4	117.5	152.1	-86.6	-36.3	0	0	0	109.2	G161	G161-N163 PolarHBondContact O-N 3.1Å
164	K	25.5	Very low	34	Very low	203 Å²	203	138.1 Å²	138.1	88%	0.883	75%	0.751	S	S	*	*			trans	-58	136.8	168.7	-60.8	173.8	178.1	178.8	0	108.1
165	V	27.9	Very low	32	Very low	138 Å²	138	140 Å²	140	84%	0.836	76%	0.761	S	S	*	*			trans	156.1	132.6	138.4	163.6	0	0	0	0	110.4
166	A	26	Very low	30.6	Very low	79 Å²	79	139.2 Å²	139.2	65%	0.653	76%	0.755	S	S	*	*			trans	69.4	102.7	157.8	0	0	0	0	0	119.6	Q168	A166-Q168 PolarHBondContact O-N 3.33Å
167	E	25.2	Very low	30	Very low	195 Å²	195	143.1 Å²	143.1	91%	0.911	77%	0.767	S	S	*	*			trans	-50	109.4	141.2	-71.9	167.6	136.8	0	0	109.9
168	Q	28.4	Very low	30	Very low	170 Å²	170	140.2 Å²	140.2	79%	0.794	76%	0.756	S	S	*	*			trans	-169.1	108.4	154.5	-105.6	159.7	30.2	0	0	109.6	A166	A166-Q168 PolarHBondContact O-N 3.33Å
169	T	25	Very low	30	Very low	131 Å²	131	144.6 Å²	144.6	80%	0.804	77%	0.766	S	S	*	*			trans	46.8	78.4	149.2	37.1	0	0	0	0	117.6	A171	T169-A171 PolarHBondContact O-N 2.73Å
170	F	27.3	Very low	29.9	Very low	181 Å²	181	139.4 Å²	139.4	79%	0.794	74%	0.744	S	S	*	*			trans	-95.9	67.2	161.5	-131	-91.4	0	0	0	110.3	N172	F170-N172 VanDerWaalsContact C-N 3.3Å; F170-N172 WeakPolarHBondContact CE1-O 3.43Å
171	A	27.5	Very low	29.7	Very low	86 Å²	86	132.2 Å²	132.2	71%	0.711	73%	0.725	S	S	*	*			trans	-88.1	4	169.9	0	0	0	0	0	112.8	T169	T169-A171 PolarHBondContact O-N 2.73Å
172	N	29.2	Very low	30	Very low	128 Å²	128	135.4 Å²	135.4	68%	0.684	72%	0.723	S	S	*	*			trans	-107.1	82.2	173.9	-72.4	-9.9	0	0	0	108.5	F170 V174	F170-N172 VanDerWaalsContact C-N 3.3Å; F170-N172 WeakPolarHBondContact CE1-O 3.43Å; N172-V174 PolarHBondContact O-N 2.83Å
173	S	30.4	Very low	30.2	Very low	101 Å²	101	131.5 Å²	131.5	71%	0.706	71%	0.713	S	S	*	*			trans	-60.1	93.3	162.5	56.5	0	0	0	0	107.5	I175	S173-I175 VanDerWaalsContact C-N 3.31Å; S173-I175 PolarHBondContact O-N 3.46Å
174	V	30.2	Very low	30.4	Very low	91 Å²	91	129.1 Å²	129.1	55%	0.552	70%	0.7	S	S	*	*			trans	-57.2	101.6	165.8	176	0	0	0	0	105.4	N172 F176	N172-V174 PolarHBondContact O-N 2.83Å; V174-F176 HydrophobicContact CB-CD2 4.38Å; V174-F176 HydrophobicContact CB-CE2 4.24Å; V174-F176 HydrophobicContact CG1-CD2 3.87Å; V174-F176 HydrophobicContact CG1-CE2 3.73Å; V174-F176 HydrophobicContact CG1-CZ 4.26Å; V174-F176 PolarHBondContact O-N 2.93Å
175	I	30.8	Very low	31	Very low	145 Å²	145	124.2 Å²	124.2	74%	0.744	68%	0.683	S	S	*	*			trans	-64.8	90.7	170.1	-60.6	177.6	0	0	0	105.1	S173 K177	S173-I175 VanDerWaalsContact C-N 3.31Å; S173-I175 PolarHBondContact O-N 3.46Å; I175-K177 VanDerWaalsContact C-N 3.3Å; I175-K177 PolarHBondContact O-N 3.22Å
176	F	31.4	Very low	31.2	Very low	150 Å²	150	122.4 Å²	122.4	66%	0.658	67%	0.668	S	S	*	*			trans	-62.5	102.3	162.3	-82.4	-87.4	0	0	0	105.7	L156 V174 V178	L156-F176 HydrophobicContact CD1-CB 4.39Å; V174-F176 HydrophobicContact CB-CD2 4.38Å; V174-F176 HydrophobicContact CB-CE2 4.24Å; V174-F176 HydrophobicContact CG1-CD2 3.87Å; V174-F176 HydrophobicContact CG1-CE2 3.73Å; V174-F176 HydrophobicContact CG1-CZ 4.26Å; V174-F176 PolarHBondContact O-N 2.93Å; F176-V178 PolarHBondContact O-N 2.8Å
177	K	27.6	Very low	31.7	Very low	197 Å²	197	126.2 Å²	126.2	86%	0.857	68%	0.677	S	S	*	*			trans	-62.3	81.7	160.9	-80.2	-177.1	173.4	-178.2	0	106.8	I175 E179	I175-K177 VanDerWaalsContact C-N 3.3Å; I175-K177 PolarHBondContact O-N 3.22Å; K177-E179 PolarHBondContact O-N 3.2Å
178	V	37.6	Very low	32.2	Very low	90 Å²	90	119.9 Å²	119.9	55%	0.545	66%	0.658	S	S	.	*			trans	-68.8	109.1	156.4	178.5	0	0	0	0	103.9	F176 L180	F176-V178 PolarHBondContact O-N 2.8Å; V178-L180 PolarHBondContact O-N 2.87Å
179	E	32.6	Very low	32.5	Very low	191 Å²	191	114.2 Å²	114.2	89%	0.893	65%	0.645	S	S	*	*			trans	-62.1	82.3	169.2	-131.4	172.2	-177.6	0	0	106.6	K177 G181	K177-E179 PolarHBondContact O-N 3.2Å; E179-G181 PolarHBondContact O-N 3.49Å; E179-G181 VanDerWaalsContact O-N 3.08Å
180	L	36	Very low	33.2	Very low	74 Å²	74	112.4 Å²	112.4	39%	0.387	64%	0.638	S	S	.	*			trans	-61	114	168.5	-80.2	138.9	0	0	0	105.7	I154 V178 Q182 D184	I154-L180 HydrophobicContact CD1-CD1 3.53Å; I154-L180 HydrophobicContact CD1-CD2 3.91Å; I154-L180 HydrophobicContact CD1-CG 4.21Å; V178-L180 PolarHBondContact O-N 2.87Å; L180-Q182 PolarHBondContact O-N 2.94Å; L180-D184 HydrophobicContact CD2-CB 3.81Å
181	G	29.9	Very low	33.9	Very low	44 Å²	44	110.9 Å²	110.9	45%	0.454	64%	0.638	S	S	.	*			trans	-52	141.3	173.5	0	0	0	0	0	108.7	E179 A183 D184	E179-G181 PolarHBondContact O-N 3.49Å; E179-G181 VanDerWaalsContact O-N 3.08Å; G181-A183 PolarHBondContact O-N 3.34Å; G181-D184 PolarHBondContact O-N 3.42Å
182	Q	37.3	Very low	34.8	Very low	130 Å²	130	111.4 Å²	111.4	61%	0.607	63%	0.625	S	S	*	*	H	α-helix	trans	-48.9	-20.7	-179.9	-165.1	69	23.9	0	0	113.1	L180 D184 L185 N186	L180-Q182 PolarHBondContact O-N 2.94Å; Q182-D184 PolarHBondContact O-N 3.41Å; Q182-L185 PolarHBondContact O-N 3.06Å; Q182-N186 WeakPolarHBondContact O-CB 3.46Å; Q182-N186 PolarHBondContact O-N 2.88Å; Q182-N186 PolarHBondContact O-ND2 3.18Å
183	A	34.4	Very low	35.9	Very low	76 Å²	76	107.2 Å²	107.2	63%	0.628	60%	0.6	S	S	*	*	H	α-helix	trans	-58.6	-39	171.6	0	0	0	0	0	114.2	G181 N186 L187	G181-A183 PolarHBondContact O-N 3.34Å; A183-N186 PolarHBondContact O-N 3.41Å; A183-L187 PolarHBondContact O-N 2.79Å
184	D	37.5	Very low	37	Very low	111 Å²	111	110.2 Å²	110.2	59%	0.594	60%	0.601	S	S	*	*	H	α-helix	trans	-78.7	-29.2	-179.4	-67.9	-33.4	0	0	0	112.1	L180 G181 Q182 N186	L180-D184 HydrophobicContact CD2-CB 3.81Å; G181-D184 PolarHBondContact O-N 3.42Å; Q182-D184 PolarHBondContact O-N 3.41Å; D184-N186 VanDerWaalsContact C-N 3.29Å
185	L	38.1	Very low	38.3	Very low	100 Å²	100	107.3 Å²	107.3	52%	0.524	58%	0.584	S	S	.	*	H	α-helix	trans	-70.9	-26.2	169.2	-92.8	151.9	0	0	0	112.3	Q182 L187	Q182-L185 PolarHBondContact O-N 3.06Å; L185-L187 VanDerWaalsContact C-N 3.35Å
186	N	32.2	Very low	40	Very low	100 Å²	100	106.1 Å²	106.1	54%	0.535	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-84.9	-1.5	179.8	-70.6	-24.8	0	0	0	114	Q182 A183 D184 A188 G189	Q182-N186 WeakPolarHBondContact O-CB 3.46Å; Q182-N186 PolarHBondContact O-N 2.88Å; Q182-N186 PolarHBondContact O-ND2 3.18Å; A183-N186 PolarHBondContact O-N 3.41Å; D184-N186 VanDerWaalsContact C-N 3.29Å; N186-A188 PolarHBondContact O-N 3.25Å; N186-G189 PolarHBondContact O-N 3.24Å; N186-G189 VanDerWaalsContact O-N 3.11Å
187	L	37.2	Very low	41.9	Very low	159 Å²	159	101.8 Å²	101.8	83%	0.832	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-68.2	-17.3	172.2	-162.3	66.3	0	0	0	112	A183 L185 G189	A183-L187 PolarHBondContact O-N 2.79Å; L185-L187 VanDerWaalsContact C-N 3.35Å; L187-G189 PolarHBondContact O-N 3.4Å; L187-G189 VanDerWaalsContact O-N 3.11Å
188	A	35.2	Very low	43.6	Very low	63 Å²	63	95.1 Å²	95.1	52%	0.521	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-82.7	41.9	165.3	0	0	0	0	0	111.5	N186 S190	N186-A188 PolarHBondContact O-N 3.25Å; A188-S190 PolarHBondContact O-N 3.45Å; A188-S190 VanDerWaalsContact O-N 3.15Å
189	G	35.5	Very low	45	Very low	50 Å²	50	97.5 Å²	97.5	52%	0.515	54%	0.536	S	S	.	.			trans	-51.7	125.1	163.1	0	0	0	0	0	107.2	N186 L187 D191	N186-G189 PolarHBondContact O-N 3.24Å; N186-G189 VanDerWaalsContact O-N 3.11Å; L187-G189 PolarHBondContact O-N 3.4Å; L187-G189 VanDerWaalsContact O-N 3.11Å; G189-D191 PolarHBondContact O-N 2.94Å
190	S	39.7	Very low	46.5	Very low	94 Å²	94	89.4 Å²	89.4	66%	0.657	50%	0.501	S	S	*	.			trans	-67.4	59.9	171.6	-175.9	0	0	0	0	108.9	A188 H192	A188-S190 PolarHBondContact O-N 3.45Å; A188-S190 VanDerWaalsContact O-N 3.15Å; S190-H192 VanDerWaalsContact C-N 3.28Å; S190-H192 PolarHBondContact O-N 2.83Å
191	D	42.2	Very low	47.7	Very low	149 Å²	149	86.2 Å²	86.2	80%	0.797	48%	0.484	S	S	*	.			trans	-70.5	96.5	173.2	-128.9	-4.2	0	0	0	104.5	G189 Y193	G189-D191 PolarHBondContact O-N 2.94Å; D191-Y193 VanDerWaalsContact C-N 3.26Å; D191-Y193 PolarHBondContact O-N 3.41Å
192	H	46.5	Very low	49.1	Very low	96 Å²	96	86.1 Å²	86.1	44%	0.444	47%	0.473	S	S	.	.			trans	-56.5	96.2	175	-89.3	-87.3	0	0	0	107.6	S190 K194 E231	S190-H192 VanDerWaalsContact C-N 3.28Å; S190-H192 PolarHBondContact O-N 2.83Å; H192-K194 PolarHBondContact O-N 3.34Å; H192-E231 IonicContact CE1-OE1 2.77Å; H192-E231 IonicContact CG-OE1 3.43Å; H192-E231 IonicContact CG-OE2 3.85Å; H192-E231 IonicContact ND1-OE1 3.86Å; H192-E231 PolarHBondContact ND1-OE1 3.08Å; H192-E231 IonicContact ND1-OE2 3.53Å
193	Y	50.8	Low	50.3	Low	40 Å²	40	84.8 Å²	84.8	16%	0.157	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-58.8	124.8	-179.2	163.8	-88.9	0	0	0	109.6	N57 Y58 R145 D191 P195	N57-Y193 VanDerWaalsContact CB-OH 3.3Å; N57-Y193 WeakPolarHBondContact CB-OH 3.42Å; N57-Y193 WeakPolarHBondContact O-CE2 3.13Å; N57-Y193 PolarHBondContact O-OH 2.83Å; Y58-Y193 HydrophobicContact CD1-CD1 4.42Å; Y58-Y193 AromaticContact CD1-CD2 3.85Å; Y58-Y193 HydrophobicContact CD1-CD2 3.85Å; Y58-Y193 HydrophobicContact CD1-CE1 4.08Å; Y58-Y193 AromaticContact CD1-CE2 3.42Å; Y58-Y193 HydrophobicContact CD1-CE2 3.42Å; Y58-Y193 VanDerWaalsContact CD1-CE2 3.42Å; Y58-Y193 HydrophobicContact CD1-CG 4.32Å; Y58-Y193 AromaticContact CD1-CZ 3.54Å; Y58-Y193 HydrophobicContact CD2-CE1 4.3Å; Y58-Y193 HydrophobicContact CD2-CE2 4.46Å; Y58-Y193 AromaticContact CD2-CZ 3.83Å; Y58-Y193 WeakPolarHBondContact CD2-OH 3.32Å; Y58-Y193 AromaticContact CE1-CD1 3.47Å; Y58-Y193 HydrophobicContact CE1-CD1 3.47Å; Y58-Y193 VanDerWaalsContact CE1-CD1 3.47Å; Y58-Y193 AromaticContact CE1-CD2 3.61Å; Y58-Y193 HydrophobicContact CE1-CD2 3.61Å; Y58-Y193 AromaticContact CE1-CE1 3.34Å; Y58-Y193 HydrophobicContact CE1-CE1 3.34Å; Y58-Y193 AromaticContact CE1-CE2 3.46Å; Y58-Y193 HydrophobicContact CE1-CE2 3.46Å; Y58-Y193 VanDerWaalsContact CE1-CE2 3.46Å; Y58-Y193 AromaticContact CE1-CG 3.61Å; Y58-Y193 HydrophobicContact CE1-CG 3.61Å; Y58-Y193 AromaticContact CE1-CZ 3.31Å; Y58-Y193 HydrophobicContact CE2-CD1 4.45Å; Y58-Y193 AromaticContact CE2-CE1 3.63Å; Y58-Y193 HydrophobicContact CE2-CE1 3.63Å; Y58-Y193 AromaticContact CE2-CZ 3.64Å; Y58-Y193 WeakPolarHBondContact CE2-OH 3.26Å; Y58-Y193 HydrophobicContact CG-CE1 4.5Å; Y58-Y193 AromaticContact CG-CE2 3.95Å; Y58-Y193 HydrophobicContact CG-CE2 3.95Å; Y58-Y193 AromaticContact CG-CZ 3.79Å; Y58-Y193 AromaticContact CZ-CD1 3.5Å; Y58-Y193 AromaticContact CZ-CE1 3.09Å; Y58-Y193 AromaticContact CZ-CZ 3.37Å; Y58-Y193 VanDerWaalsContact OH-CD1 3.25Å; Y58-Y193 WeakPolarHBondContact OH-CD1 3.3Å; Y58-Y193 WeakPolarHBondContact OH-CE1 3.06Å; R145-Y193 HydrophobicContact CG-CD1 4.35Å; R145-Y193 PolarHBondContact NE-O 2.76Å; D191-Y193 VanDerWaalsContact C-N 3.26Å; D191-Y193 PolarHBondContact O-N 3.41Å; Y193-P195 HydrophobicContact CE1-CB 4.16Å; Y193-P195 HydrophobicContact CE1-CG 4.16Å; Y193-P195 WeakPolarHBondContact OH-CA 3.01Å
194	K	54.6	Low	51.7	Low	164 Å²	164	82.5 Å²	82.5	71%	0.713	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-98.4	124.8	172.7	-67.9	-175.1	179.6	-178.5	0	109.5	H192 K196	H192-K194 PolarHBondContact O-N 3.34Å; K194-K196 PolarHBondContact O-N 2.64Å
195	P	57.2	Low	52.6	Low	30 Å²	30	77.9 Å²	77.9	20%	0.195	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-59.7	129.2	174.2	-9.2	19.6	0	0	0	110.3	Y193 N197 V198 W201	Y193-P195 HydrophobicContact CE1-CB 4.16Å; Y193-P195 HydrophobicContact CE1-CG 4.16Å; Y193-P195 WeakPolarHBondContact OH-CA 3.01Å; P195-N197 VanDerWaalsContact C-N 3.28Å; P195-N197 PolarHBondContact O-N 3.1Å; P195-V198 HydrophobicContact CB-CG2 4.02Å; P195-V198 HydrophobicContact CG-CG2 4.13Å; P195-V198 WeakPolarHBondContact O-CG2 3.02Å; P195-W201 HydrophobicContact CB-CG 4.48Å
196	K	67.2	Low	53.3	Low	120 Å²	120	79 Å²	79	52%	0.522	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-36.6	178	-64.9	176.9	178.4	-176.9	0	112.4	N57 D59 K194	N57-K196 WeakPolarHBondContact O-CD 3.36Å; N57-K196 WeakPolarHBondContact O-CG 3.2Å; N57-K196 PolarHBondContact OD1-N 3.16Å; D59-K196 IonicContact OD1-NZ 3.04Å; D59-K196 PolarHBondContact OD1-NZ 2.81Å; D59-K196 WeakPolarHBondContact OD2-CE 2.81Å; D59-K196 IonicContact OD2-NZ 3.1Å; D59-K196 PolarHBondContact OD2-NZ 3.44Å; K194-K196 PolarHBondContact O-N 2.64Å
197	N	70.2	Confident	54.2	Low	59 Å²	59	76.2 Å²	76.2	32%	0.316	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	72.4	-178.2	-172.2	-5.7	0	0	0	110.2	N57 P195 K199 A200 W201	N57-N197 VanDerWaalsContact OD1-CA 3.24Å; N57-N197 WeakPolarHBondContact OD1-CA 3.3Å; N57-N197 WeakPolarHBondContact OD1-CB 3.34Å; N57-N197 PolarHBondContact OD1-N 2.79Å; N57-N197 PolarHBondContact OD1-O 2.84Å; P195-N197 VanDerWaalsContact C-N 3.28Å; P195-N197 PolarHBondContact O-N 3.1Å; N197-K199 PolarHBondContact O-N 2.86Å; N197-K199 VanDerWaalsContact O-N 3.13Å; N197-K199 PolarHBondContact OD1-N 3.41Å; N197-A200 HydrophobicContact CB-CB 4.37Å; N197-A200 VanDerWaalsContact CG-CB 3.48Å; N197-A200 VanDerWaalsContact ND2-CB 3.27Å; N197-A200 WeakPolarHBondContact ND2-CB 3.11Å; N197-A200 PolarHBondContact O-N 3.35Å; N197-A200 PolarHBondContact OD1-N 2.99Å; N197-W201 PolarHBondContact O-N 2.59Å
198	V	64.6	Low	54.6	Low	57 Å²	57	69.6 Å²	69.6	35%	0.345	37%	0.374	S	S	.	.	H	α-helix	trans	-54.6	-30.9	176.5	-176.2	0	0	0	0	111.9	P195 W201 L202	P195-V198 HydrophobicContact CB-CG2 4.02Å; P195-V198 HydrophobicContact CG-CG2 4.13Å; P195-V198 WeakPolarHBondContact O-CG2 3.02Å; V198-W201 WeakPolarHBondContact O-CB 3.08Å; V198-W201 PolarHBondContact O-N 3.3Å; V198-L202 HydrophobicContact CG1-CD1 4.05Å; V198-L202 HydrophobicContact CG1-CG 4.38Å; V198-L202 VanDerWaalsContact O-CG 3.3Å; V198-L202 WeakPolarHBondContact O-CG 3.38Å; V198-L202 PolarHBondContact O-N 2.97Å
199	K	66.5	Low	54.8	Low	141 Å²	141	68.6 Å²	68.6	61%	0.613	36%	0.364	S	S	*	.	H	α-helix	trans	-67.3	-52.7	-179.5	-177.5	-177.2	169.9	-171.9	0	111.9	N197 W201 L202 E203	N197-K199 PolarHBondContact O-N 2.86Å; N197-K199 VanDerWaalsContact O-N 3.13Å; N197-K199 PolarHBondContact OD1-N 3.41Å; K199-W201 PolarHBondContact O-N 3.21Å; K199-L202 PolarHBondContact O-N 3.45Å; K199-L202 VanDerWaalsContact O-N 3.16Å; K199-E203 WeakPolarHBondContact CE-OE1 3.48Å; K199-E203 IonicContact NZ-OE1 2.69Å; K199-E203 WeakPolarHBondContact O-CG 3.47Å; K199-E203 PolarHBondContact O-N 3.28Å
200	A	62.8	Low	54.7	Low	20 Å²	20	70.3 Å²	70.3	17%	0.165	37%	0.368	C	S	.	.	H	α-helix	trans	-60.3	-35.7	177.4	0	0	0	0	0	111.3	L53 N197 E203 Y204	L53-A200 HydrophobicContact CD1-CB 3.87Å; N197-A200 HydrophobicContact CB-CB 4.37Å; N197-A200 VanDerWaalsContact CG-CB 3.48Å; N197-A200 VanDerWaalsContact ND2-CB 3.27Å; N197-A200 WeakPolarHBondContact ND2-CB 3.11Å; N197-A200 PolarHBondContact O-N 3.35Å; N197-A200 PolarHBondContact OD1-N 2.99Å; A200-E203 PolarHBondContact O-N 3.34Å; A200-Y204 WeakPolarHBondContact O-CB 3.4Å; A200-Y204 PolarHBondContact O-N 3.49Å
201	W	61.3	Low	54.3	Low	8 Å²	8	74 Å²	74	3%	0.03	37%	0.374	C	S	.	.	H	α-helix	trans	-57.3	-54	172.1	-94.7	101.8	0	0	0	112.3	L53 F54 N57 Y58 I137 H141 P195 N197 V198 K199 E203 Y204 I205	L53-W201 HydrophobicContact CD1-CB 4.45Å; L53-W201 HydrophobicContact CD1-CD2 4.15Å; L53-W201 HydrophobicContact CD1-CG 3.99Å; L53-W201 HydrophobicContact CD2-CD2 3.55Å; L53-W201 HydrophobicContact CD2-CE3 3.54Å; L53-W201 HydrophobicContact CD2-CG 4.2Å; L53-W201 HydrophobicContact CD2-CH2 3.8Å; L53-W201 HydrophobicContact CD2-CZ2 3.81Å; L53-W201 HydrophobicContact CD2-CZ3 3.71Å; L53-W201 HydrophobicContact CG-CD2 3.87Å; L53-W201 HydrophobicContact CG-CE3 4.36Å; L53-W201 HydrophobicContact CG-CG 4.24Å; L53-W201 HydrophobicContact CG-CH2 4.36Å; L53-W201 HydrophobicContact CG-CZ2 3.87Å; F54-W201 HydrophobicContact CD1-CZ2 4.46Å; F54-W201 HydrophobicContact CD2-CH2 4.03Å; F54-W201 HydrophobicContact CD2-CZ2 4.1Å; F54-W201 HydrophobicContact CE1-CH2 4.23Å; F54-W201 HydrophobicContact CE1-CZ2 4.23Å; F54-W201 AromaticContact CE2-CH2 3.41Å; F54-W201 HydrophobicContact CE2-CH2 3.41Å; F54-W201 VanDerWaalsContact CE2-CH2 3.41Å; F54-W201 AromaticContact CE2-CZ2 3.89Å; F54-W201 HydrophobicContact CE2-CZ2 3.89Å; F54-W201 HydrophobicContact CG-CZ2 4.38Å; F54-W201 AromaticContact CZ-CH2 3.5Å; F54-W201 HydrophobicContact CZ-CH2 3.5Å; F54-W201 AromaticContact CZ-CZ2 3.93Å; F54-W201 HydrophobicContact CZ-CZ2 3.93Å; N57-W201 PolarHBondContact ND2-NE1 3.39Å; N57-W201 VanDerWaalsContact ND2-NE1 3.12Å; N57-W201 PolarHBondContact OD1-NE1 2.78Å; Y58-W201 AromaticContact CE2-CZ2 3.99Å; Y58-W201 HydrophobicContact CE2-CZ2 3.99Å; I137-W201 HydrophobicContact CD1-CE3 3.78Å; I137-W201 HydrophobicContact CD1-CH2 3.82Å; I137-W201 HydrophobicContact CD1-CZ3 3.06Å; I137-W201 HydrophobicContact CG1-CE3 4.35Å; I137-W201 HydrophobicContact CG1-CH2 3.65Å; I137-W201 HydrophobicContact CG1-CZ3 3.22Å; H141-W201 AromaticContact CD2-CH2 3.53Å; H141-W201 AromaticContact CD2-CZ3 3.34Å; H141-W201 WeakPolarHBondContact CD2-CZ3 3.32Å; H141-W201 AromaticContact CE1-CD2 3.81Å; H141-W201 AromaticContact CE1-CE2 3.44Å; H141-W201 VanDerWaalsContact CE1-CE2 3.44Å; H141-W201 AromaticContact CE1-CE3 3.75Å; H141-W201 AromaticContact CE1-CH2 3.02Å; H141-W201 WeakPolarHBondContact CE1-CH2 3.45Å; H141-W201 AromaticContact CE1-CZ2 3.11Å; H141-W201 WeakPolarHBondContact CE1-CZ2 3.47Å; H141-W201 AromaticContact CE1-CZ3 3.3Å; H141-W201 WeakPolarHBondContact CE1-CZ3 3.3Å; H141-W201 AromaticContact CG-CH2 3.83Å; H141-W201 AromaticContact ND1-CH2 3.5Å; H141-W201 AromaticContact ND1-CZ2 3.74Å; H141-W201 AromaticContact NE2-CD2 3.73Å; H141-W201 AromaticContact NE2-CE2 3.83Å; H141-W201 AromaticContact NE2-CE3 3.23Å; H141-W201 AromaticContact NE2-CH2 3.08Å; H141-W201 WeakPolarHBondContact NE2-CH2 3.31Å; H141-W201 AromaticContact NE2-CZ2 3.61Å; H141-W201 AromaticContact NE2-CZ3 2.81Å; H141-W201 WeakPolarHBondContact NE2-CZ3 3.49Å; P195-W201 HydrophobicContact CB-CG 4.48Å; N197-W201 PolarHBondContact O-N 2.59Å; V198-W201 WeakPolarHBondContact O-CB 3.08Å; V198-W201 PolarHBondContact O-N 3.3Å; K199-W201 PolarHBondContact O-N 3.21Å; W201-E203 VanDerWaalsContact C-N 3.3Å; W201-E203 PolarHBondContact O-N 3.03Å; W201-Y204 PolarHBondContact O-N 3.3Å; W201-I205 HydrophobicContact CE3-CD1 4.03Å; W201-I205 HydrophobicContact CE3-CG1 4.46Å; W201-I205 WeakPolarHBondContact O-CD1 3.33Å; W201-I205 WeakPolarHBondContact O-CG1 3.23Å; W201-I205 PolarHBondContact O-N 3.43Å; W201-I205 VanDerWaalsContact O-N 3.08Å
202	L	59.7	Low	53.7	Low	42 Å²	42	71.2 Å²	71.2	22%	0.22	36%	0.359	C	S	.	.	H	α-helix	trans	-63.3	-36.6	178.7	-69.2	170.3	0	0	0	112.3	V198 K199 R206	V198-L202 HydrophobicContact CG1-CD1 4.05Å; V198-L202 HydrophobicContact CG1-CG 4.38Å; V198-L202 VanDerWaalsContact O-CG 3.3Å; V198-L202 WeakPolarHBondContact O-CG 3.38Å; V198-L202 PolarHBondContact O-N 2.97Å; K199-L202 PolarHBondContact O-N 3.45Å; K199-L202 VanDerWaalsContact O-N 3.16Å; L202-R206 VanDerWaalsContact O-CB 3.29Å; L202-R206 WeakPolarHBondContact O-CB 3.15Å; L202-R206 WeakPolarHBondContact O-CD 3.49Å; L202-R206 WeakPolarHBondContact O-CG 3.46Å; L202-R206 PolarHBondContact O-N 3.31Å
203	E	63.4	Low	52.8	Low	102 Å²	102	72.5 Å²	72.5	48%	0.477	38%	0.376	S	S	.	.	H	α-helix	trans	-68.1	-42.4	176.8	-76	179.5	173.6	0	0	112.7	K199 A200 W201 R206 G207	K199-E203 WeakPolarHBondContact CE-OE1 3.48Å; K199-E203 IonicContact NZ-OE1 2.69Å; K199-E203 WeakPolarHBondContact O-CG 3.47Å; K199-E203 PolarHBondContact O-N 3.28Å; A200-E203 PolarHBondContact O-N 3.34Å; W201-E203 VanDerWaalsContact C-N 3.3Å; W201-E203 PolarHBondContact O-N 3.03Å; E203-R206 WeakPolarHBondContact O-CB 3.44Å; E203-R206 PolarHBondContact O-N 3.28Å; E203-G207 PolarHBondContact O-N 2.65Å
204	Y	63.1	Low	51.6	Low	27 Å²	27	82.7 Å²	82.7	11%	0.106	41%	0.414	C	S	.	.	H	α-helix	trans	-59.8	-49.8	174.5	175.6	-90.6	0	0	0	110.6	S46 K49 L50 L53 M131 I137 A200 W201 R206 G207 M208	S46-Y204 PolarHBondContact O-OH 3.19Å; K49-Y204 HydrophobicContact CB-CD2 4Å; K49-Y204 HydrophobicContact CB-CE2 3.61Å; L50-Y204 HydrophobicContact CB-CE2 4.16Å; L50-Y204 HydrophobicContact CD1-CD1 4.35Å; L50-Y204 HydrophobicContact CD1-CE1 3.68Å; L50-Y204 HydrophobicContact CD1-CE2 4.47Å; L53-Y204 HydrophobicContact CD2-CD1 3.74Å; L53-Y204 HydrophobicContact CD2-CD2 4.33Å; L53-Y204 HydrophobicContact CD2-CG 3.63Å; M131-Y204 WeakPolarHBondContact CE-OH 3.49Å; I137-Y204 HydrophobicContact CD1-CD1 3.43Å; I137-Y204 VanDerWaalsContact CD1-CD1 3.43Å; I137-Y204 HydrophobicContact CD1-CE1 3.44Å; I137-Y204 VanDerWaalsContact CD1-CE1 3.44Å; A200-Y204 WeakPolarHBondContact O-CB 3.4Å; A200-Y204 PolarHBondContact O-N 3.49Å; W201-Y204 PolarHBondContact O-N 3.3Å; Y204-R206 VanDerWaalsContact C-N 3.26Å; Y204-R206 PolarHBondContact O-N 3.01Å; Y204-G207 PolarHBondContact O-N 3.42Å; Y204-G207 VanDerWaalsContact O-N 3.1Å; Y204-M208 HydrophobicContact CD1-CG 4.31Å; Y204-M208 HydrophobicContact CD1-SD 4.04Å; Y204-M208 HydrophobicContact CE1-CE 4.14Å; Y204-M208 HydrophobicContact CE1-CG 3.83Å; Y204-M208 HydrophobicContact CE1-SD 3.15Å; Y204-M208 WeakPolarHBondContact CE1-SD 3.37Å; Y204-M208 WeakPolarHBondContact O-CG 3.5Å; Y204-M208 PolarHBondContact O-N 3.08Å; Y204-M208 PolarHBondContact OH-SD 2.81Å; Y204-M208 VanDerWaalsContact OH-SD 3.34Å
205	I	56	Low	50.4	Low	15 Å²	15	82.9 Å²	82.9	8%	0.077	42%	0.417	C	S	.	.	H	α-helix	trans	-62.5	-36.3	179.2	-58.8	164.7	0	0	0	110.5	H134 I137 W201 Q492 H493	H134-I205 WeakPolarHBondContact CE1-CG2 3.46Å; I137-I205 HydrophobicContact CD1-CD1 4.47Å; I137-I205 HydrophobicContact CD1-CG1 3.85Å; W201-I205 HydrophobicContact CE3-CD1 4.03Å; W201-I205 HydrophobicContact CE3-CG1 4.46Å; W201-I205 WeakPolarHBondContact O-CD1 3.33Å; W201-I205 WeakPolarHBondContact O-CG1 3.23Å; W201-I205 PolarHBondContact O-N 3.43Å; W201-I205 VanDerWaalsContact O-N 3.08Å; I205-Q492 HydrophobicContact CG2-CG 4.13Å; I205-Q492 PolarHBondContact O-NE2 2.85Å; I205-H493 WeakPolarHBondContact CG2-CE1 3.3Å; I205-H493 WeakPolarHBondContact CG2-NE2 2.94Å
206	R	52.5	Low	49.1	Very low	124 Å²	124	91 Å²	91	47%	0.468	45%	0.45	S	S	.	.	H	α-helix	trans	-66.5	-42.3	173.3	-81.3	168.1	177.9	138.3	2.3	112.1	L202 E203 Y204 M208 S209 S210	L202-R206 VanDerWaalsContact O-CB 3.29Å; L202-R206 WeakPolarHBondContact O-CB 3.15Å; L202-R206 WeakPolarHBondContact O-CD 3.49Å; L202-R206 WeakPolarHBondContact O-CG 3.46Å; L202-R206 PolarHBondContact O-N 3.31Å; E203-R206 WeakPolarHBondContact O-CB 3.44Å; E203-R206 PolarHBondContact O-N 3.28Å; Y204-R206 VanDerWaalsContact C-N 3.26Å; Y204-R206 PolarHBondContact O-N 3.01Å; R206-M208 VanDerWaalsContact C-N 3.35Å; R206-S209 WeakPolarHBondContact O-CB 3.25Å; R206-S209 PolarHBondContact O-N 3.12Å; R206-S209 VanDerWaalsContact O-N 3.09Å; R206-S210 PolarHBondContact O-N 2.86Å
207	G	52.1	Low	47.5	Very low	41 Å²	41	92 Å²	92	42%	0.423	47%	0.466	S	S	.	.	H	α-helix	trans	-68.9	-30.3	-177.8	0	0	0	0	0	113.3	E203 Y204 S209 S210	E203-G207 PolarHBondContact O-N 2.65Å; Y204-G207 PolarHBondContact O-N 3.42Å; Y204-G207 VanDerWaalsContact O-N 3.1Å; G207-S209 PolarHBondContact O-N 2.92Å; G207-S210 PolarHBondContact O-N 3.49Å; G207-S210 PolarHBondContact O-OG 2.79Å
208	M	44.8	Very low	45.7	Very low	19 Å²	19	94 Å²	94	9%	0.094	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.2	170.2	-65.4	-167.7	-35.1	0	0	112	Y132 H134 I137 Y204 R206	Y132-M208 WeakPolarHBondContact CD2-O 2.94Å; Y132-M208 WeakPolarHBondContact CE2-O 3.31Å; H134-M208 WeakPolarHBondContact CE1-CE 3.33Å; H134-M208 WeakPolarHBondContact ND1-CE 3.49Å; I137-M208 HydrophobicContact CG2-CE 4.19Å; Y204-M208 HydrophobicContact CD1-CG 4.31Å; Y204-M208 HydrophobicContact CD1-SD 4.04Å; Y204-M208 HydrophobicContact CE1-CE 4.14Å; Y204-M208 HydrophobicContact CE1-CG 3.83Å; Y204-M208 HydrophobicContact CE1-SD 3.15Å; Y204-M208 WeakPolarHBondContact CE1-SD 3.37Å; Y204-M208 WeakPolarHBondContact O-CG 3.5Å; Y204-M208 PolarHBondContact O-N 3.08Å; Y204-M208 PolarHBondContact OH-SD 2.81Å; Y204-M208 VanDerWaalsContact OH-SD 3.34Å; R206-M208 VanDerWaalsContact C-N 3.35Å
209	S	39.8	Very low	44.2	Very low	43 Å²	43	96.5 Å²	96.5	30%	0.301	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-15.1	179.3	-179.4	0	0	0	0	114.3	R206 G207 E211	R206-S209 WeakPolarHBondContact O-CB 3.25Å; R206-S209 PolarHBondContact O-N 3.12Å; R206-S209 VanDerWaalsContact O-N 3.09Å; G207-S209 PolarHBondContact O-N 2.92Å; S209-E211 VanDerWaalsContact C-N 3.28Å; S209-E211 PolarHBondContact O-N 3.44Å; S209-E211 VanDerWaalsContact O-N 3.14Å
210	S	33.9	Very low	42.9	Very low	86 Å²	86	98.8 Å²	98.8	60%	0.601	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	14	-164.6	59.5	0	0	0	0	116.8	R206 G207 L212	R206-S210 PolarHBondContact O-N 2.86Å; G207-S210 PolarHBondContact O-N 3.49Å; G207-S210 PolarHBondContact O-OG 2.79Å; S210-L212 PolarHBondContact O-N 3.08Å
211	E	31.5	Very low	41.7	Very low	171 Å²	171	100.6 Å²	100.6	80%	0.799	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-0.9	164.3	-79.1	-170.5	176	0	0	113.1	S209	S209-E211 VanDerWaalsContact C-N 3.28Å; S209-E211 PolarHBondContact O-N 3.44Å; S209-E211 VanDerWaalsContact O-N 3.14Å
212	L	29.5	Very low	40.5	Very low	91 Å²	91	105.2 Å²	105.2	48%	0.476	55%	0.547	S	S	.	.	S	Bend	trans	-91.4	138.8	164.3	-83.2	95.3	0	0	0	113.3	S210 R214	S210-L212 PolarHBondContact O-N 3.08Å; L212-R214 PolarHBondContact O-N 2.98Å
213	P	26.9	Very low	39.6	Very low	123 Å²	123	103.7 Å²	103.7	80%	0.799	54%	0.54	S	S	*	.			trans	-58.7	135.2	-176.7	-20.8	30.8	0	0	0	113.5	Q215	P213-Q215 PolarHBondContact O-N 3.47Å
214	R	25.8	Very low	38.4	Very low	254 Å²	254	99.8 Å²	99.8	96%	0.958	52%	0.521	S	S	*	.			trans	-29.3	98	177.3	-68.8	179.9	170.8	-177.1	-2.1	115.2	L212	L212-R214 PolarHBondContact O-N 2.98Å
215	Q	29.9	Very low	37.2	Very low	167 Å²	167	99 Å²	99	78%	0.78	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-97.3	129.6	163.6	-154.5	165.4	15.9	0	0	110.3	P213 V217	P213-Q215 PolarHBondContact O-N 3.47Å; Q215-V217 PolarHBondContact O-N 3.03Å
216	K	30.2	Very low	36.3	Very low	201 Å²	201	99 Å²	99	87%	0.874	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-59.6	122.5	-176	-79.6	176.2	175.3	175.5	0	111.5	T218	K216-T218 PolarHBondContact O-N 3.48Å
217	V	33.3	Very low	35.7	Very low	142 Å²	142	96.7 Å²	96.7	86%	0.861	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-62	116.1	177.5	-177.4	0	0	0	0	110.5	Q215	Q215-V217 PolarHBondContact O-N 3.03Å
218	T	32.4	Very low	35	Very low	101 Å²	101	98.1 Å²	98.1	62%	0.62	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-93.1	119.5	162.1	47.2	0	0	0	0	109.3	K216 Q220 R491	K216-T218 PolarHBondContact O-N 3.48Å; T218-Q220 PolarHBondContact O-N 3.02Å; T218-R491 PolarHBondContact OG1-NH2 3.19Å
219	S	33.6	Very low	34.8	Very low	108 Å²	108	101.4 Å²	101.4	76%	0.755	53%	0.532	S	S	*	.	S	Bend	trans	-76.1	99	176.8	57.7	0	0	0	0	110.6
220	Q	37.9	Very low	34.9	Very low	189 Å²	189	105.6 Å²	105.6	88%	0.883	54%	0.541	S	S	*	.	S	Bend	trans	180	11.6	149.9	-112.7	-178.9	-10	0	0	118.8	T218	T218-Q220 PolarHBondContact O-N 3.02Å
221	V	37.8	Very low	35	Very low	59 Å²	59	105.3 Å²	105.3	36%	0.358	53%	0.53	S	S	.	.			trans	-140.2	100.3	171.7	-170.8	0	0	0	0	108.7	Y488 R491	V221-Y488 HydrophobicContact CG1-CE1 3.86Å; V221-R491 PolarHBondContact O-NH1 3.38Å
222	D	36.7	Very low	35	Very low	105 Å²	105	100.1 Å²	100.1	56%	0.561	51%	0.51	S	S	*	.			trans	-70.2	141.3	165	-69.7	-39.4	0	0	0	108.5
223	S	41.5	Very low	35.1	Very low	10 Å²	10	103 Å²	103	7%	0.07	52%	0.516	C	S	.	.			trans	-72.7	147	-174.9	-172.8	0	0	0	0	111.7	A225 A226 E227 Q492 H493	S223-A225 PolarHBondContact O-N 2.6Å; S223-A226 WeakPolarHBondContact O-CA 3.41Å; S223-A226 WeakPolarHBondContact O-CB 3.47Å; S223-A226 PolarHBondContact O-N 3.26Å; S223-E227 PolarHBondContact O-N 3.45Å; S223-Q492 WeakPolarHBondContact CB-O 3.36Å; S223-Q492 PolarHBondContact OG-O 2.86Å; S223-Q492 VanDerWaalsContact OG-O 3.1Å; S223-H493 PolarHBondContact OG-O 3.23Å
224	F	38	Very low	35.1	Very low	19 Å²	19	104.5 Å²	104.5	8%	0.083	51%	0.514	C	S	.	.	H	α-helix	trans	-54.9	-46.6	-178.3	173.5	-102.5	0	0	0	112.7	A226 E227 V228 F438 L495 V510 F512	F224-A226 VanDerWaalsContact C-N 3.29Å; F224-A226 PolarHBondContact O-N 2.77Å; F224-E227 WeakPolarHBondContact O-CB 3.46Å; F224-E227 PolarHBondContact O-N 3.07Å; F224-E227 VanDerWaalsContact O-N 3.12Å; F224-V228 HydrophobicContact CD1-CG2 4.31Å; F224-V228 HydrophobicContact CE1-CG2 3.85Å; F224-V228 HydrophobicContact CE2-CG2 4.22Å; F224-V228 HydrophobicContact CZ-CG2 3.81Å; F224-V228 WeakPolarHBondContact O-CG2 3.36Å; F224-V228 PolarHBondContact O-N 3.12Å; F224-F438 HydrophobicContact CD1-CD2 4.01Å; F224-F438 HydrophobicContact CD1-CE2 4.18Å; F224-F438 AromaticContact CE1-CD2 3.56Å; F224-F438 HydrophobicContact CE1-CD2 3.56Å; F224-F438 AromaticContact CE1-CE2 3.38Å; F224-F438 HydrophobicContact CE1-CE2 3.38Å; F224-F438 HydrophobicContact CE1-CZ 4.3Å; F224-F438 HydrophobicContact CE2-CD2 4.41Å; F224-F438 AromaticContact CZ-CD2 3.77Å; F224-F438 HydrophobicContact CZ-CD2 3.77Å; F224-F438 AromaticContact CZ-CE2 3.69Å; F224-F438 HydrophobicContact CZ-CE2 3.69Å; F224-F438 HydrophobicContact CZ-CG 4.41Å; F224-F438 HydrophobicContact CZ-CZ 4.28Å; F224-L495 HydrophobicContact CD1-CD2 4.15Å; F224-V510 HydrophobicContact CE2-CG1 3.93Å; F224-V510 HydrophobicContact CZ-CG1 3.69Å; F224-V510 HydrophobicContact CZ-CG2 4.41Å; F224-F512 AromaticContact CD2-CE1 3.73Å; F224-F512 HydrophobicContact CD2-CE1 3.73Å; F224-F512 AromaticContact CD2-CZ 3.96Å; F224-F512 HydrophobicContact CD2-CZ 3.96Å; F224-F512 HydrophobicContact CE2-CD1 4.42Å; F224-F512 AromaticContact CE2-CE1 3.36Å; F224-F512 HydrophobicContact CE2-CE1 3.36Å; F224-F512 HydrophobicContact CE2-CE2 4.2Å; F224-F512 AromaticContact CE2-CZ 3.21Å; F224-F512 HydrophobicContact CE2-CZ 3.21Å; F224-F512 HydrophobicContact CZ-CE1 4.33Å; F224-F512 AromaticContact CZ-CZ 3.75Å; F224-F512 HydrophobicContact CZ-CZ 3.75Å
225	A	37.8	Very low	35	Very low	10 Å²	10	100.2 Å²	100.2	8%	0.083	50%	0.502	C	S	.	.	H	α-helix	trans	-71.9	-24.8	178.9	0	0	0	0	0	112.4	S223 E227 V228 F229 H493	S223-A225 PolarHBondContact O-N 2.6Å; A225-E227 VanDerWaalsContact C-N 3.31Å; A225-E227 PolarHBondContact O-N 3.16Å; A225-V228 PolarHBondContact O-N 2.78Å; A225-F229 HydrophobicContact CB-CE2 4.41Å; A225-F229 WeakPolarHBondContact O-CD2 3.47Å; A225-F229 WeakPolarHBondContact O-CG 2.95Å; A225-F229 PolarHBondContact O-N 2.91Å; A225-H493 HydrophobicContact CB-CB 3.57Å; A225-H493 WeakPolarHBondContact CB-O 3.34Å
226	A	36.8	Very low	35	Very low	17 Å²	17	96.5 Å²	96.5	14%	0.14	49%	0.493	C	S	.	.	H	α-helix	trans	-63.5	-40	169.1	0	0	0	0	0	111	S223 F224 F229 R230 H493	S223-A226 WeakPolarHBondContact O-CA 3.41Å; S223-A226 WeakPolarHBondContact O-CB 3.47Å; S223-A226 PolarHBondContact O-N 3.26Å; F224-A226 VanDerWaalsContact C-N 3.29Å; F224-A226 PolarHBondContact O-N 2.77Å; A226-F229 CarbonylContact O-C 3.6Å; A226-F229 PolarHBondContact O-N 2.9Å; A226-F229 VanDerWaalsContact O-N 3.15Å; A226-R230 VanDerWaalsContact O-CB 3.3Å; A226-R230 WeakPolarHBondContact O-CB 3.29Å; A226-R230 PolarHBondContact O-N 3.25Å; A226-H493 HydrophobicContact CB-CB 4.29Å; A226-H493 VanDerWaalsContact CB-CD2 3.41Å; A226-H493 WeakPolarHBondContact CB-CD2 2.99Å; A226-H493 VanDerWaalsContact N-CB 3.34Å
227	E	38.9	Very low	34.8	Very low	75 Å²	75	95.2 Å²	95.2	35%	0.35	49%	0.487	S	S	.	.	H	α-helix	trans	-68.4	-37.6	177.1	-156.7	61.1	-148.4	0	0	111.9	S223 F224 A225 F229 R230 T232	S223-E227 PolarHBondContact O-N 3.45Å; F224-E227 WeakPolarHBondContact O-CB 3.46Å; F224-E227 PolarHBondContact O-N 3.07Å; F224-E227 VanDerWaalsContact O-N 3.12Å; A225-E227 VanDerWaalsContact C-N 3.31Å; A225-E227 PolarHBondContact O-N 3.16Å; E227-F229 VanDerWaalsContact C-N 3.26Å; E227-F229 PolarHBondContact O-N 3.34Å; E227-R230 PolarHBondContact O-N 3.22Å; E227-T232 WeakPolarHBondContact OE1-CB 3.46Å; E227-T232 PolarHBondContact OE1-OG1 2.84Å
228	V	38.6	Very low	34.8	Very low	71 Å²	71	97 Å²	97	43%	0.43	49%	0.486	S	S	.	.	H	α-helix	trans	-59.3	-37.5	169.2	175	0	0	0	0	111	F224 A225 V510	F224-V228 HydrophobicContact CD1-CG2 4.31Å; F224-V228 HydrophobicContact CE1-CG2 3.85Å; F224-V228 HydrophobicContact CE2-CG2 4.22Å; F224-V228 HydrophobicContact CZ-CG2 3.81Å; F224-V228 WeakPolarHBondContact O-CG2 3.36Å; F224-V228 PolarHBondContact O-N 3.12Å; A225-V228 PolarHBondContact O-N 2.78Å; V228-V510 HydrophobicContact CG2-CG2 4.18Å
229	F	39.8	Very low	34.6	Very low	87 Å²	87	95.8 Å²	95.8	38%	0.382	49%	0.493	S	S	.	.	H	α-helix	trans	-82.1	-26.6	178.4	-71.7	-58.3	0	0	0	114.9	A225 A226 E227 E231 H493	A225-F229 HydrophobicContact CB-CE2 4.41Å; A225-F229 WeakPolarHBondContact O-CD2 3.47Å; A225-F229 WeakPolarHBondContact O-CG 2.95Å; A225-F229 PolarHBondContact O-N 2.91Å; A226-F229 CarbonylContact O-C 3.6Å; A226-F229 PolarHBondContact O-N 2.9Å; A226-F229 VanDerWaalsContact O-N 3.15Å; E227-F229 VanDerWaalsContact C-N 3.26Å; E227-F229 PolarHBondContact O-N 3.34Å; F229-E231 VanDerWaalsContact C-N 3.32Å; F229-E231 PolarHBondContact O-N 3Å; F229-H493 AromaticContact CD2-CE1 3.82Å; F229-H493 AromaticContact CD2-ND1 3.61Å; F229-H493 AromaticContact CE2-ND1 3.72Å
230	R	41.7	Very low	34.5	Very low	132 Å²	132	97 Å²	97	50%	0.498	50%	0.496	S	S	.	.	H	α-helix	trans	-80.7	-11.7	-171.5	-158.6	179.5	120.3	95.3	-1	113.4	A226 E227 T232	A226-R230 VanDerWaalsContact O-CB 3.3Å; A226-R230 WeakPolarHBondContact O-CB 3.29Å; A226-R230 PolarHBondContact O-N 3.25Å; E227-R230 PolarHBondContact O-N 3.22Å; R230-T232 WeakPolarHBondContact CD-OG1 3.22Å; R230-T232 VanDerWaalsContact NE-CG2 3.31Å; R230-T232 PolarHBondContact NE-OG1 3.39Å; R230-T232 PolarHBondContact O-N 3.36Å
231	E	35.7	Very low	34.2	Very low	79 Å²	79	97.6 Å²	97.6	37%	0.369	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	39.5	42.6	-171.6	-68.5	-174.5	-177.8	0	0	111.3	H192 F229 Y233	H192-E231 IonicContact CE1-OE1 2.77Å; H192-E231 IonicContact CG-OE1 3.43Å; H192-E231 IonicContact CG-OE2 3.85Å; H192-E231 IonicContact ND1-OE1 3.86Å; H192-E231 PolarHBondContact ND1-OE1 3.08Å; H192-E231 IonicContact ND1-OE2 3.53Å; F229-E231 VanDerWaalsContact C-N 3.32Å; F229-E231 PolarHBondContact O-N 3Å; E231-Y233 PolarHBondContact O-N 3.34Å
232	T	31.2	Very low	33.7	Very low	63 Å²	63	106 Å²	106	39%	0.387	52%	0.521	S	S	.	.			trans	-73.6	54.3	173.4	-4.4	0	0	0	0	110.2	E227 R230 M234	E227-T232 WeakPolarHBondContact OE1-CB 3.46Å; E227-T232 PolarHBondContact OE1-OG1 2.84Å; R230-T232 WeakPolarHBondContact CD-OG1 3.22Å; R230-T232 VanDerWaalsContact NE-CG2 3.31Å; R230-T232 PolarHBondContact NE-OG1 3.39Å; R230-T232 PolarHBondContact O-N 3.36Å; T232-M234 PolarHBondContact O-N 2.88Å
233	Y	31.8	Very low	33.6	Very low	152 Å²	152	108.6 Å²	108.6	60%	0.596	54%	0.535	S	S	*	.			trans	-82.9	111.3	176.7	-174.2	-111.2	0	0	0	108.1	E231 K235 P236	E231-Y233 PolarHBondContact O-N 3.34Å; Y233-K235 HydrophobicContact CD1-CB 4.37Å; Y233-K235 HydrophobicContact CD1-CG 3.84Å; Y233-K235 VanDerWaalsContact CE1-CA 3.45Å; Y233-K235 HydrophobicContact CE1-CB 4.08Å; Y233-K235 HydrophobicContact CE1-CG 3.51Å; Y233-K235 PolarHBondContact O-N 3.35Å; Y233-P236 WeakPolarHBondContact OH-CD 3.46Å
234	M	28.2	Very low	32.8	Very low	153 Å²	153	119.6 Å²	119.6	75%	0.754	58%	0.575	S	S	*	*			trans	-74.2	104.7	152.3	-72.5	-157.5	78.1	0	0	106.8	T232	T232-M234 PolarHBondContact O-N 2.88Å
235	K	23.6	Very low	32.3	Very low	164 Å²	164	125.2 Å²	125.2	71%	0.713	61%	0.611	S	S	*	*			trans	-41	131.4	158.6	-90.5	-178.8	178.5	-176.4	0	107.4	Y233 K237	Y233-K235 HydrophobicContact CD1-CB 4.37Å; Y233-K235 HydrophobicContact CD1-CG 3.84Å; Y233-K235 VanDerWaalsContact CE1-CA 3.45Å; Y233-K235 HydrophobicContact CE1-CB 4.08Å; Y233-K235 HydrophobicContact CE1-CG 3.51Å; Y233-K235 PolarHBondContact O-N 3.35Å; K235-K237 PolarHBondContact O-N 3.16Å
236	P	28.7	Very low	31.7	Very low	90 Å²	90	136.4 Å²	136.4	58%	0.584	65%	0.651	S	S	*	*			trans	-49.8	111.7	164.1	-19.8	28.8	0	0	0	105.8	Y233 H238	Y233-P236 WeakPolarHBondContact OH-CD 3.46Å; P236-H238 PolarHBondContact O-N 3.01Å
237	K	27.8	Very low	31.3	Very low	174 Å²	174	141.3 Å²	141.3	76%	0.757	68%	0.679	S	S	*	*			trans	-55.7	113.8	170.4	-80.7	-173.1	174.3	-178.1	0	104.4	K235 G239	K235-K237 PolarHBondContact O-N 3.16Å; K237-G239 PolarHBondContact O-N 3.23Å
238	H	31.6	Very low	30.8	Very low	180 Å²	180	147.6 Å²	147.6	83%	0.833	71%	0.706	S	S	*	*			trans	-46.6	119.6	166.3	-82.9	-65.1	0	0	0	106.1	P236 T240	P236-H238 PolarHBondContact O-N 3.01Å; H238-T240 VanDerWaalsContact C-N 3.3Å; H238-T240 PolarHBondContact O-N 3.32Å
239	G	28.8	Very low	30.2	Very low	75 Å²	75	153 Å²	153	77%	0.773	73%	0.726	S	S	*	*			trans	-57.8	92.5	-167.1	0	0	0	0	0	110.9	K237 K241	K237-G239 PolarHBondContact O-N 3.23Å; G239-K241 PolarHBondContact O-N 3.49Å
240	T	31.5	Very low	29.7	Very low	133 Å²	133	152.3 Å²	152.3	82%	0.816	74%	0.743	S	S	*	*			trans	-80.1	119.3	161.3	35.9	0	0	0	0	106.8	H238	H238-T240 VanDerWaalsContact C-N 3.3Å; H238-T240 PolarHBondContact O-N 3.32Å
241	K	31	Very low	29.1	Very low	202 Å²	202	156.1 Å²	156.1	88%	0.878	76%	0.764	S	S	*	*			trans	-52.3	137	-167.5	-69.1	174.1	175.7	175.7	0	111.7	G239 N243	G239-K241 PolarHBondContact O-N 3.49Å; K241-N243 PolarHBondContact O-N 3.32Å
242	R	28.6	Very low	28.7	Very low	235 Å²	235	164 Å²	164	89%	0.887	79%	0.79	S	S	*	*			trans	-30.9	114.5	168.5	-69.9	170.4	166.4	175.4	-4.7	113
243	N	33.3	Very low	28.6	Very low	160 Å²	160	167 Å²	167	86%	0.856	81%	0.811	S	S	*	*			trans	-97	106.1	148	-87	-19.3	0	0	0	108.6	K241 T245	K241-N243 PolarHBondContact O-N 3.32Å; N243-T245 PolarHBondContact O-N 3.01Å; N243-T245 VanDerWaalsContact O-N 3.14Å
244	R	24.8	Very low	28.5	Very low	240 Å²	240	163.4 Å²	163.4	91%	0.906	82%	0.82	S	S	*	*			trans	-56.6	106.7	172.4	-75.3	170.5	157	175.3	-6.2	109.1
245	T	28.9	Very low	28.4	Very low	138 Å²	138	162.6 Å²	162.6	85%	0.847	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-95.5	124.4	156.1	21.6	0	0	0	0	109.1	N243 V247	N243-T245 PolarHBondContact O-N 3.01Å; N243-T245 VanDerWaalsContact O-N 3.14Å; T245-V247 PolarHBondContact O-N 3.29Å
246	R	24.7	Very low	28.7	Very low	244 Å²	244	164.3 Å²	164.3	92%	0.921	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-60.8	119.6	-171.6	-173.2	175.9	-177.5	175.1	0.5	110.8	K248	R246-K248 PolarHBondContact O-N 3.13Å
247	V	27.8	Very low	28.5	Very low	120 Å²	120	169.6 Å²	169.6	73%	0.727	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-61	116.8	170	175	0	0	0	0	108.8	T245 Q249	T245-V247 PolarHBondContact O-N 3.29Å; V247-Q249 HydrophobicContact CG1-CG 3.94Å
248	K	29.9	Very low	28.7	Very low	208 Å²	208	167.4 Å²	167.4	90%	0.904	85%	0.846	S	S	*	*			trans	-87.1	102.5	164.2	-131.5	179.8	-176.5	-178.9	0	106.9	R246	R246-K248 PolarHBondContact O-N 3.13Å
249	Q	25.8	Very low	28.4	Very low	183 Å²	183	165.4 Å²	165.4	86%	0.855	84%	0.837	S	S	*	*			trans	-75.9	139.1	169.8	-68	-167.6	-8.3	0	0	109.9	V247	V247-Q249 HydrophobicContact CG1-CG 3.94Å
250	G	28.1	Very low	28.5	Very low	73 Å²	73	170 Å²	170	75%	0.753	84%	0.843	S	S	*	*			trans	139.3	95	156.5	0	0	0	0	0	115.5
251	K	29.8	Very low	28.1	Very low	213 Å²	213	166.8 Å²	166.8	93%	0.926	84%	0.837	S	S	*	*				177.8	135.5	104.8	-103.6	178.3	175.1	178.9	0	110.3
252	R	27.8	Very low	27.9	Very low	243 Å²	243	162 Å²	162	92%	0.917	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-69.2	159.1	-179.7	-95.3	179.4	179.6	172.9	-0.8	112.7
253	P	28.2	Very low	27.9	Very low	126 Å²	126	157.3 Å²	157.3	82%	0.818	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-86.1	141.4	-169.9	33.9	-32.5	0	0	0	113.2
254	G	29.9	Very low	27.6	Very low	77 Å²	77	155.4 Å²	155.4	79%	0.794	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-94.8	116.2	167.5	0	0	0	0	0	110.7
255	T	25.8	Very low	27.7	Very low	137 Å²	137	153.7 Å²	153.7	84%	0.84	82%	0.822	S	S	*	*			trans	-44.8	133.7	161.3	25.6	0	0	0	0	113.2
256	Q	30.6	Very low	27.5	Very low	200 Å²	200	153.3 Å²	153.3	94%	0.935	82%	0.819	S	S	*	*			trans	-158.7	134.1	139	-108.1	168.7	40.8	0	0	111.5
257	R	23.9	Very low	27.5	Very low	201 Å²	201	147.4 Å²	147.4	76%	0.758	81%	0.81	S	S	*	*			trans	-102.3	127.3	-169.8	178.8	-171.1	-162.1	-157.5	6.7	108.2	Q259	R257-Q259 HydrophobicContact CG-CG 4.42Å; R257-Q259 VanDerWaalsContact NH2-NE2 3.15Å
258	P	32.1	Very low	27.2	Very low	127 Å²	127	147.4 Å²	147.4	83%	0.825	81%	0.81	S	S	*	*			trans	-99.3	113.4	159	-0.1	20	0	0	0	108.8
259	Q	25.9	Very low	27.1	Very low	138 Å²	138	143.6 Å²	143.6	65%	0.645	80%	0.804	S	S	*	*			trans	-85.7	129.4	157.2	-73.6	-144.5	32.1	0	0	107.9	R257	R257-Q259 HydrophobicContact CG-CG 4.42Å; R257-Q259 VanDerWaalsContact NH2-NE2 3.15Å
260	L	30.2	Very low	27	Very low	173 Å²	173	143 Å²	143	91%	0.906	80%	0.801	S	S	*	*			trans	-151.1	109.1	154.5	-157.1	68	0	0	0	109.3
261	G	23.4	Very low	26.8	Very low	65 Å²	65	148.4 Å²	148.4	67%	0.67	81%	0.807	S	S	*	*			trans	-93.5	152.7	166.1	0	0	0	0	0	111
262	S	27.2	Very low	26.6	Very low	101 Å²	101	144.8 Å²	144.8	71%	0.706	80%	0.803	S	S	*	*			trans	164.9	94.4	151.6	36.7	0	0	0	0	106.7
263	T	28	Very low	26.3	Very low	136 Å²	136	139.1 Å²	139.1	83%	0.834	80%	0.796	S	S	*	*				71.8	132.3	100.5	49.8	0	0	0	0	115.6
264	P	27.6	Very low	26.1	Very low	121 Å²	121	141 Å²	141	79%	0.786	80%	0.798	S	S	*	*			trans	-98.4	140.5	-159.9	7.3	16.3	0	0	0	111.4
265	K	26.8	Very low	25.9	Very low	204 Å²	204	142.4 Å²	142.4	89%	0.887	79%	0.793	S	S	*	*			trans	-88.9	111.1	171	-77.9	-176.2	176.3	-179.5	0	110.2
266	T	23	Very low	25.7	Very low	129 Å²	129	142 Å²	142	79%	0.791	79%	0.79	S	S	*	*			trans	-61.6	123.9	162.4	-46.3	0	0	0	0	109.3
267	V	26.4	Very low	25.5	Very low	120 Å²	120	139 Å²	139	73%	0.727	79%	0.786	S	S	*	*			trans	-125.3	106.4	168.1	179.8	0	0	0	0	107.6	V269	V267-V269 HydrophobicContact CG1-CG2 4.05Å
268	T	21.7	Very low	25.4	Very low	121 Å²	121	136.2 Å²	136.2	74%	0.742	79%	0.786	S	S	*	*			trans	-74.8	126.4	168.6	-43.6	0	0	0	0	107.8
269	V	26.6	Very low	25.1	Very low	128 Å²	128	136.4 Å²	136.4	78%	0.776	79%	0.785	S	S	*	*			trans	-126	119.8	165.9	-179.7	0	0	0	0	107.6	V267	V267-V269 HydrophobicContact CG1-CG2 4.05Å
270	E	24	Very low	25.1	Very low	170 Å²	170	135.8 Å²	135.8	79%	0.794	79%	0.793	S	S	*	*			trans	-66.7	143.2	-174.6	-72	171.2	138.2	0	0	112.7	T272	E270-T272 PolarHBondContact O-N 3.47Å
271	Q	23	Very low	24.9	Very low	187 Å²	187	133.9 Å²	133.9	87%	0.874	79%	0.789	S	S	*	*			trans	-65.6	121.7	171	-69.7	166.9	-62.7	0	0	109.7
272	T	25.7	Very low	24.8	Very low	137 Å²	137	139.1 Å²	139.1	84%	0.84	80%	0.796	S	S	*	*			trans	-107.6	105.7	164.2	-43.8	0	0	0	0	108.1	E270	E270-T272 PolarHBondContact O-N 3.47Å
273	T	22	Very low	24.8	Very low	124 Å²	124	139.5 Å²	139.5	76%	0.761	79%	0.793	S	S	*	*			trans	-85.1	126.8	168.3	45.7	0	0	0	0	109.3
274	L	25.3	Very low	24.5	Very low	166 Å²	166	138.4 Å²	138.4	87%	0.869	79%	0.786	S	S	*	*			trans	-145.2	141.3	159.1	-145.5	69.5	0	0	0	109.5
275	P	24.9	Very low	24.5	Very low	105 Å²	105	140.2 Å²	140.2	68%	0.682	79%	0.789	S	S	*	*			trans	-98.7	162.8	-153	33.5	-23.2	0	0	0	114.4
276	T	20.7	Very low	24.3	Very low	128 Å²	128	135.4 Å²	135.4	79%	0.785	78%	0.781	S	S	*	*			trans	-27.7	132.9	159.8	31.7	0	0	0	0	115.9
277	T	26.8	Very low	24.5	Very low	138 Å²	138	135.5 Å²	135.5	85%	0.847	78%	0.783	S	S	*	*			trans	-145.3	109.4	150.3	-27.7	0	0	0	0	108.9
278	D	22.9	Very low	24.5	Very low	142 Å²	142	136.4 Å²	136.4	76%	0.759	79%	0.79	S	S	*	*			trans	-63.5	135	163.6	-68.8	-57	0	0	0	109.7
279	T	26.2	Very low	24.5	Very low	131 Å²	131	138.8 Å²	138.8	80%	0.804	79%	0.794	S	S	*	*				-175.2	134.9	127.1	18.6	0	0	0	0	111.2
280	P	23.8	Very low	24.6	Very low	126 Å²	126	137.6 Å²	137.6	82%	0.818	79%	0.792	S	S	*	*			trans	-85.8	133.6	-176.5	33.8	-31	0	0	0	110.7
281	V	26.5	Very low	24.6	Very low	133 Å²	133	135.6 Å²	135.6	81%	0.806	79%	0.791	S	S	*	*			trans	-101.5	106.8	172.4	-176.7	0	0	0	0	108.5	V283	V281-V283 HydrophobicContact CG1-CG2 3.86Å
282	E	21.5	Very low	24.9	Very low	175 Å²	175	135 Å²	135	82%	0.818	79%	0.789	S	S	*	*			trans	-75.5	112.6	167.4	-174.9	176.3	-175	0	0	108.6
283	V	26.6	Very low	24.7	Very low	109 Å²	109	134.4 Å²	134.4	66%	0.661	79%	0.785	S	S	*	*			trans	-129.7	100.9	165.3	-177	0	0	0	0	109.2	V281 L285	V281-V283 HydrophobicContact CG1-CG2 3.86Å; V283-L285 HydrophobicContact CG1-CD1 4.13Å; V283-L285 HydrophobicContact CG1-CG 4.25Å
284	T	22	Very low	25	Very low	112 Å²	112	134.1 Å²	134.1	69%	0.687	78%	0.782	S	S	*	*			trans	-78.8	108.8	167	-41.9	0	0	0	0	108.6
285	L	28.9	Very low	24.8	Very low	160 Å²	160	131.3 Å²	131.3	84%	0.838	77%	0.772	S	S	*	*			trans	-139.9	118.3	162.9	-80.4	170.2	0	0	0	110.1	V283	V283-L285 HydrophobicContact CG1-CD1 4.13Å; V283-L285 HydrophobicContact CG1-CG 4.25Å
286	S	22.3	Very low	25	Very low	102 Å²	102	132 Å²	132	71%	0.713	78%	0.775	S	S	*	*			trans	-73.6	167.1	-176.9	-42	0	0	0	0	112.6
287	P	26.1	Very low	25.2	Very low	131 Å²	131	131.9 Å²	131.9	85%	0.851	77%	0.774	S	S	*	*			trans	-89.1	141.6	-159.4	34.9	-31.3	0	0	0	112.6
288	T	26.2	Very low	25.2	Very low	140 Å²	140	131.7 Å²	131.7	86%	0.859	77%	0.773	S	S	*	*			trans	-108.8	121	169.4	-48.4	0	0	0	0	109.5
289	M	23.4	Very low	25.3	Very low	170 Å²	170	131.2 Å²	131.2	84%	0.837	78%	0.775	S	S	*	*			trans	-62	133.5	170.9	-67.4	-107.2	79.2	0	0	110.9
290	S	28.3	Very low	25.1	Very low	104 Å²	104	129 Å²	129	73%	0.727	77%	0.77	S	S	*	*			trans	-147.7	108.8	152.8	-166	0	0	0	0	110
291	T	24.3	Very low	25.2	Very low	127 Å²	127	135 Å²	135	78%	0.779	78%	0.776	S	S	*	*			trans	-75	117.6	168.1	28.5	0	0	0	0	108.9
292	Q	27.8	Very low	25	Very low	176 Å²	176	135.5 Å²	135.5	82%	0.822	78%	0.78	S	S	*	*			trans	-122.8	107.9	159.4	-75.3	-164.3	-7	0	0	109.9
293	V	22.5	Very low	25.3	Very low	124 Å²	124	132.6 Å²	132.6	75%	0.752	78%	0.779	S	S	*	*			trans	-73.7	117.7	169.5	174.8	0	0	0	0	107.2
294	V	28.1	Very low	25.1	Very low	118 Å²	118	133.3 Å²	133.3	72%	0.715	79%	0.789	S	S	*	*			trans	-121.1	99.7	164.1	-179.9	0	0	0	0	107.9
295	T	22	Very low	25.3	Very low	106 Å²	106	132.4 Å²	132.4	65%	0.65	79%	0.793	S	S	*	*			trans	-80.8	113.4	171.2	-50.4	0	0	0	0	108.1
296	T	27.9	Very low	25	Very low	120 Å²	120	132.6 Å²	132.6	74%	0.736	80%	0.795	S	S	*	*			trans	-119.7	90.4	163.3	37.4	0	0	0	0	109.4
297	T	24.4	Very low	25.1	Very low	126 Å²	126	133.8 Å²	133.8	77%	0.773	80%	0.798	S	S	*	*			trans	-64.4	119.5	157.3	29.6	0	0	0	0	109.4
298	T	28.3	Very low	25.1	Very low	134 Å²	134	133.6 Å²	133.6	82%	0.822	79%	0.794	S	S	*	*			trans	-128.7	120.3	157.7	-26.6	0	0	0	0	109
299	T	25.2	Very low	24.9	Very low	132 Å²	132	135.1 Å²	135.1	81%	0.81	79%	0.792	S	S	*	*			trans	-78.8	140.9	-169.6	-6	0	0	0	0	112.1
300	A	21.8	Very low	25.1	Very low	85 Å²	85	133 Å²	133	70%	0.702	79%	0.791	S	S	*	*			trans	10.1	122.3	146.9	0	0	0	0	0	119.3
301	R	25.7	Very low	24.7	Very low	251 Å²	251	133.4 Å²	133.4	95%	0.947	79%	0.794	S	S	*	*			trans	-134.9	99.9	140.7	-90.9	-175.5	176.6	172.8	-1.1	109.7
302	T	22.5	Very low	24.7	Very low	143 Å²	143	131.7 Å²	131.7	88%	0.877	79%	0.792	S	S	*	*			trans	-74	123.8	157.2	25.7	0	0	0	0	108.4
303	S	27.1	Very low	24.6	Very low	115 Å²	115	128.8 Å²	128.8	80%	0.804	79%	0.787	S	S	*	*			trans	-134.5	105	161	67.9	0	0	0	0	109.1
304	S	23.2	Very low	24.7	Very low	123 Å²	123	131.1 Å²	131.1	86%	0.86	79%	0.789	S	S	*	*			trans	-73.3	127.6	163.5	50.2	0	0	0	0	109.7
305	A	26.6	Very low	24.6	Very low	93 Å²	93	134.1 Å²	134.1	77%	0.769	80%	0.8	S	S	*	*			trans	-143.7	112.1	160.6	0	0	0	0	0	109
306	N	22.3	Very low	24.7	Very low	165 Å²	165	135.2 Å²	135.2	88%	0.882	80%	0.802	S	S	*	*			trans	-73.2	133	167	-75.7	-22.5	0	0	0	109.1
307	T	24.4	Very low	24.4	Very low	127 Å²	127	137 Å²	137	78%	0.779	80%	0.802	S	S	*	*			trans	-159.4	102.5	156.7	-19.1	0	0	0	0	111.7
308	T	24.9	Very low	24.5	Very low	127 Å²	127	138 Å²	138	78%	0.779	81%	0.808	S	S	*	*			trans	61.1	105.5	131.4	-25.7	0	0	0	0	120.8
309	E	22.6	Very low	24.1	Very low	171 Å²	171	138.5 Å²	138.5	80%	0.799	81%	0.811	S	S	*	*			trans	-61.1	134.6	155.7	-175.8	177	-155.1	0	0	112.3
310	P	26.7	Very low	24	Very low	126 Å²	126	136.4 Å²	136.4	82%	0.818	81%	0.807	S	S	*	*			trans	-98	111.7	162	31.9	-21.5	0	0	0	109.5
311	S	19.7	Very low	24.1	Very low	113 Å²	113	141.2 Å²	141.2	79%	0.79	82%	0.816	S	S	*	*			trans	-99.2	122.6	164.3	-167	0	0	0	0	108.1
312	A	25.4	Very low	23.7	Very low	91 Å²	91	137.1 Å²	137.1	75%	0.752	81%	0.811	S	S	*	*			trans	-143.7	92.5	173.4	0	0	0	0	0	109.8
313	T	26.5	Very low	23.8	Very low	114 Å²	114	136.1 Å²	136.1	70%	0.699	81%	0.806	S	S	*	*				36.3	116.1	128	4.4	0	0	0	0	120.8
314	E	23.6	Very low	23.7	Very low	173 Å²	173	135.2 Å²	135.2	81%	0.808	81%	0.806	S	S	*	*				51.4	114.6	125.8	-68.2	-178.7	153.2	0	0	121.1
315	L	25.1	Very low	23.6	Very low	181 Å²	181	134 Å²	134	95%	0.948	80%	0.804	S	S	*	*			trans	-137.6	98.8	139.4	-111.4	113.6	0	0	0	111.4
316	N	24.9	Very low	23.5	Very low	130 Å²	130	137.7 Å²	137.7	70%	0.695	81%	0.81	S	S	*	*			trans	8.2	127.1	145.7	-113.8	4.6	0	0	0	122.2
317	E	20.9	Very low	23.7	Very low	157 Å²	157	135 Å²	135	73%	0.734	80%	0.801	S	S	*	*				33.9	125.1	121.7	-65	-176.9	153.3	0	0	120.4
318	T	27.2	Very low	23.5	Very low	147 Å²	147	135 Å²	135	90%	0.902	80%	0.801	S	S	*	*				-171.8	124.9	110.3	18.3	0	0	0	0	113
319	T	19.8	Very low	23.5	Very low	144 Å²	144	135.5 Å²	135.5	88%	0.883	80%	0.804	S	S	*	*			trans	-78.8	132.5	168.7	-65.3	0	0	0	0	110.4
320	A	22.9	Very low	23.5	Very low	88 Å²	88	133.1 Å²	133.1	73%	0.727	80%	0.801	S	S	*	*			trans	-157.4	102.6	160.6	0	0	0	0	0	109.7
321	Q	23.5	Very low	23.5	Very low	187 Å²	187	132.3 Å²	132.3	87%	0.874	80%	0.796	S	S	*	*				87.6	111.9	99.6	-83.3	-169.6	-5.1	0	0	115.1
322	I	18.6	Very low	23.6	Very low	165 Å²	165	134.5 Å²	134.5	85%	0.846	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-77.1	131	166.6	-63.2	161.7	0	0	0	108.6
323	P	24.8	Very low	23.6	Very low	121 Å²	121	137.2 Å²	137.2	79%	0.786	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-101.4	143.9	157.8	5	15.4	0	0	0	111.5
324	A	23.6	Very low	23.6	Very low	96 Å²	96	140.1 Å²	140.1	79%	0.793	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-67.3	161.3	-170.4	0	0	0	0	0	116
325	A	22.2	Very low	23.5	Very low	99 Å²	99	139.2 Å²	139.2	82%	0.818	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-58.9	147.7	172.1	0	0	0	0	0	113.7
326	L	23.9	Very low	23.4	Very low	170 Å²	170	138.1 Å²	138.1	89%	0.89	80%	0.796	S	S	*	*			trans	-129.8	148.8	163.4	-90.8	149.6	0	0	0	109.6
327	P	25.5	Very low	23.2	Very low	107 Å²	107	136.6 Å²	136.6	70%	0.695	80%	0.796	S	S	*	*			trans	-95.3	150.2	-155.9	35.9	-34.3	0	0	0	115.8
328	V	21.9	Very low	23.3	Very low	129 Å²	129	134.8 Å²	134.8	78%	0.782	80%	0.795	S	S	*	*			trans	5.5	115.9	147	-169.4	0	0	0	0	117.5
329	T	24	Very low	23	Very low	136 Å²	136	134.1 Å²	134.1	83%	0.834	79%	0.791	S	S	*	*			trans	-123.7	115	152.6	39.2	0	0	0	0	109.3
330	T	22.4	Very low	23.2	Very low	122 Å²	122	133.6 Å²	133.6	75%	0.748	79%	0.788	S	S	*	*			trans	-74.3	126.2	172.4	29.3	0	0	0	0	110.7
331	P	26.5	Very low	23.2	Very low	108 Å²	108	139.1 Å²	139.1	70%	0.701	80%	0.799	S	S	*	*			trans	-93.7	118.2	168.2	32.7	-24.4	0	0	0	109.9	I333	P331-I333 PolarHBondContact O-N 2.03Å
332	I	23.3	Very low	23.2	Very low	160 Å²	160	133.4 Å²	133.4	82%	0.821	79%	0.791	S	S	*	*			trans	-70.6	110.7	167	-65.2	167.8	0	0	0	106.8
333	I	25.5	Very low	23.5	Very low	147 Å²	147	132.3 Å²	132.3	75%	0.754	79%	0.791	S	S	*	*			trans	-91.7	111.5	172.8	-63.5	176.4	0	0	0	107.5	P331 I335	P331-I333 PolarHBondContact O-N 2.03Å; I333-I335 PolarHBondContact O-N 2.03Å
334	Q	25	Very low	23.6	Very low	176 Å²	176	131.3 Å²	131.3	82%	0.822	79%	0.785	S	S	*	*			trans	-66.1	127.8	172.1	-76.4	-174.1	-42.8	0	0	110.5	L336	Q334-L336 PolarHBondContact O-N 3.46Å
335	I	21.1	Very low	23.6	Very low	154 Å²	154	132.8 Å²	132.8	79%	0.79	79%	0.786	S	S	*	*			trans	-73.1	115.8	173.1	-61.9	162.7	0	0	0	107.1	I333	I333-I335 PolarHBondContact O-N 2.03Å
336	L	23.1	Very low	23.8	Very low	158 Å²	158	134.1 Å²	134.1	83%	0.827	78%	0.784	S	S	*	*			trans	-112.1	101.6	166.4	-160.9	73.6	0	0	0	108.5	Q334 T338	Q334-L336 PolarHBondContact O-N 3.46Å; L336-T338 PolarHBondContact O-N 3.3Å
337	S	21.4	Very low	23.9	Very low	98 Å²	98	135.3 Å²	135.3	69%	0.685	79%	0.785	S	S	*	*			trans	-63.9	118.5	172.8	-50.7	0	0	0	0	109.7
338	T	22.3	Very low	24	Very low	118 Å²	118	136.1 Å²	136.1	72%	0.724	78%	0.784	S	S	*	*			trans	-120.2	103.2	161.7	43.8	0	0	0	0	107.9	L336 T340	L336-T338 PolarHBondContact O-N 3.3Å; T338-T340 PolarHBondContact O-N 3.08Å
339	T	21.6	Very low	24.4	Very low	133 Å²	133	135.2 Å²	135.2	82%	0.816	78%	0.779	S	S	*	*			trans	-68.1	112.2	171.2	45.8	0	0	0	0	108.5
340	T	23.9	Very low	24.5	Very low	133 Å²	133	135.2 Å²	135.2	82%	0.816	77%	0.773	S	S	*	*			trans	-130.5	117	160.3	37.5	0	0	0	0	108.3	T338 G342	T338-T340 PolarHBondContact O-N 3.08Å; T340-G342 PolarHBondContact O-N 3.3Å
341	E	23.7	Very low	24.7	Very low	204 Å²	204	135.7 Å²	135.7	95%	0.953	77%	0.771	S	S	*	*			trans	-62.8	114.6	179.1	-64.7	169.4	145.1	0	0	109.4
342	G	23	Very low	24.8	Very low	68 Å²	68	138.6 Å²	138.6	70%	0.701	77%	0.773	S	S	*	*			trans	-134.1	98.4	170.6	0	0	0	0	0	108	T340	T340-G342 PolarHBondContact O-N 3.3Å
343	V	25.3	Very low	25	Very low	141 Å²	141	137 Å²	137	86%	0.855	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-58.1	128.7	-179.9	175.7	0	0	0	0	109.9
344	P	26.2	Very low	25.2	Very low	101 Å²	101	136.4 Å²	136.4	66%	0.656	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-80.5	148.1	-176.4	31.5	-32.6	0	0	0	111.8
345	P	23.8	Very low	25.4	Very low	126 Å²	126	136.5 Å²	136.5	82%	0.818	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-73.7	128.1	173.5	30.3	-29.9	0	0	0	109.7
346	T	26.2	Very low	25.7	Very low	128 Å²	128	132.4 Å²	132.4	79%	0.785	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-70.6	124.8	-177.8	32.2	0	0	0	0	112	D348	T346-D348 PolarHBondContact O-N 3.35Å
347	E	25.8	Very low	25.8	Very low	194 Å²	194	134 Å²	134	91%	0.907	76%	0.758	S	S	*	*			trans	-70.6	17.6	179.6	-108.8	175.7	162.9	0	0	115	T349	E347-T349 PolarHBondContact O-N 2.92Å
348	D	28.3	Very low	26	Very low	124 Å²	124	137.7 Å²	137.7	66%	0.663	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	24.2	-159.4	-149.8	13.7	0	0	0	114.9	T346	T346-D348 PolarHBondContact O-N 3.35Å
349	T	29.9	Very low	26.2	Very low	110 Å²	110	141.1 Å²	141.1	68%	0.675	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.1	-4.1	-179.4	-27.1	0	0	0	0	114.3	E347	E347-T349 PolarHBondContact O-N 2.92Å
350	L	26.8	Very low	26.3	Very low	137 Å²	137	143.3 Å²	143.3	72%	0.717	77%	0.773	S	S	*	*	S	Bend	trans	-87.7	-28.7	-176.9	-165.3	61.5	0	0	0	113.8
351	D	25.9	Very low	26.4	Very low	131 Å²	131	146.5 Å²	146.5	70%	0.701	78%	0.776	S	S	*	*	S	Bend	trans	-83.8	-15	-177.5	-79.1	-25.8	0	0	0	114.2
352	K	28	Very low	26.3	Very low	170 Å²	170	146.1 Å²	146.1	74%	0.739	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-78.4	-19.2	-179.7	-79	-175.2	178.1	176	0	114.6	I354	K352-I354 VanDerWaalsContact C-N 3.32Å
353	I	29.3	Very low	26.4	Very low	125 Å²	125	152.1 Å²	152.1	64%	0.641	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-82.2	-13.3	-179.6	-58.7	176.4	0	0	0	111.7
354	I	29.1	Very low	26.3	Very low	135 Å²	135	154.5 Å²	154.5	69%	0.692	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-86.5	-9	-176.5	-62	178.6	0	0	0	112.8	K352	K352-I354 VanDerWaalsContact C-N 3.32Å
355	K	29.6	Very low	26.3	Very low	178 Å²	178	153.9 Å²	153.9	77%	0.774	79%	0.789	S	S	*	*			trans	-110.9	87.2	176.2	-66	-171	178	-175.9	0	109.8	E357	K355-E357 PolarHBondContact O-N 3.22Å
356	G	26.6	Very low	26.3	Very low	69 Å²	69	154.2 Å²	154.2	71%	0.711	79%	0.789	S	S	*	*			trans	-56.2	128.2	164.3	0	0	0	0	0	109.3	E358	G356-E358 PolarHBondContact O-N 3.06Å
357	E	25.9	Very low	26.2	Very low	190 Å²	190	153.7 Å²	153.7	89%	0.888	79%	0.786	S	S	*	*			trans	-64	106	176.2	-65.9	164.8	150.6	0	0	109	K355	K355-E357 PolarHBondContact O-N 3.22Å
358	E	25.3	Very low	26.1	Very low	177 Å²	177	150.4 Å²	150.4	83%	0.827	78%	0.779	S	S	*	*			trans	-91.2	94.3	162.8	-75.9	179.9	167.6	0	0	107.1	G356 E360	G356-E358 PolarHBondContact O-N 3.06Å; E358-E360 VanDerWaalsContact C-N 3.32Å; E358-E360 PolarHBondContact O-N 2.91Å
359	E	25.5	Very low	26	Very low	190 Å²	190	151.8 Å²	151.8	89%	0.888	79%	0.785	S	S	*	*			trans	-69.1	94.1	161.7	-78.1	-171.5	153.5	0	0	108.1	K361	E359-K361 PolarHBondContact O-N 3.17Å; E359-K361 VanDerWaalsContact O-N 3.1Å
360	E	24.7	Very low	25.6	Very low	178 Å²	178	152 Å²	152	83%	0.832	79%	0.787	S	S	*	*			trans	-63.7	104.8	169.6	-74.4	178.7	152.3	0	0	109.8	E358	E358-E360 VanDerWaalsContact C-N 3.32Å; E358-E360 PolarHBondContact O-N 2.91Å
361	K	25.2	Very low	25.4	Very low	201 Å²	201	154.1 Å²	154.1	87%	0.874	80%	0.795	S	S	*	*			trans	-102.9	107.7	148.6	-83.5	-176.3	177.1	175.4	0	107.5	E359 E363	E359-K361 PolarHBondContact O-N 3.17Å; E359-K361 VanDerWaalsContact O-N 3.1Å; K361-E363 PolarHBondContact O-N 3.11Å
362	E	22.4	Very low	25.3	Very low	196 Å²	196	153.9 Å²	153.9	92%	0.916	80%	0.798	S	S	*	*			trans	-50.9	111.8	169.5	-76.2	172.4	130.1	0	0	110.3
363	E	25.7	Very low	25.2	Very low	194 Å²	194	150.9 Å²	150.9	91%	0.907	80%	0.799	S	S	*	*			trans	-139.6	129.4	152.6	-142.9	168.6	-163.1	0	0	109.5	K361 A365	K361-E363 PolarHBondContact O-N 3.11Å; E363-A365 PolarHBondContact O-N 3.32Å
364	E	22.3	Very low	25.1	Very low	191 Å²	191	151 Å²	151	89%	0.893	81%	0.805	S	S	*	*			trans	-76.7	111.5	-157.5	-165.4	175.2	-162.5	0	0	111.5
365	A	27	Very low	25.4	Very low	88 Å²	88	152.6 Å²	152.6	73%	0.727	82%	0.815	S	S	*	*			trans	-144.2	97	167.1	0	0	0	0	0	111.3	E363 T367	E363-A365 PolarHBondContact O-N 3.32Å; A365-T367 PolarHBondContact O-N 3.15Å; A365-T367 VanDerWaalsContact O-N 3.09Å
366	T	22.1	Very low	25.5	Very low	132 Å²	132	147.7 Å²	147.7	81%	0.81	81%	0.807	S	S	*	*			trans	-61.1	102.9	176.3	-36.3	0	0	0	0	110.8
367	T	25	Very low	26.3	Very low	118 Å²	118	149.1 Å²	149.1	72%	0.724	80%	0.804	S	S	*	*			trans	-132.8	106.5	163.8	-45.5	0	0	0	0	110.2	A365 I369	A365-T367 PolarHBondContact O-N 3.15Å; A365-T367 VanDerWaalsContact O-N 3.09Å; T367-I369 PolarHBondContact O-N 3.13Å
368	T	22.7	Very low	27.7	Very low	124 Å²	124	143.3 Å²	143.3	76%	0.761	78%	0.781	S	S	*	*			trans	-68.4	93.1	-178.6	-34.2	0	0	0	0	110.5	T370	T368-T370 PolarHBondContact O-N 3.37Å
369	I	26.2	Very low	29.3	Very low	153 Å²	153	143.3 Å²	143.3	79%	0.785	77%	0.773	S	S	*	*			trans	-81.9	108.5	174.5	-59	175.3	0	0	0	108.5	T367	T367-I369 PolarHBondContact O-N 3.13Å
370	T	21.8	Very low	31	Very low	116 Å²	116	135.3 Å²	135.3	71%	0.712	74%	0.736	S	S	*	*			trans	-80.8	120.1	178.1	-48.1	0	0	0	0	108.9	T368 T372	T368-T370 PolarHBondContact O-N 3.37Å; T370-T372 PolarHBondContact O-N 3.12Å
371	M	23.8	Very low	32.7	Very low	180 Å²	180	129.7 Å²	129.7	89%	0.887	71%	0.711	S	S	*	*			trans	-75.6	101	-178.6	-59.7	-170.4	90.7	0	0	111.3
372	T	23.8	Very low	34.3	Very low	126 Å²	126	123.5 Å²	123.5	77%	0.773	68%	0.683	S	S	*	*			trans	-103	88.4	162.4	44.7	0	0	0	0	109.6	T370 T374	T370-T372 PolarHBondContact O-N 3.12Å; T372-T374 PolarHBondContact O-N 2.71Å
373	S	25.3	Very low	36.3	Very low	108 Å²	108	119.6 Å²	119.6	76%	0.755	66%	0.662	S	S	*	*			trans	-73.6	87.9	172.2	177.3	0	0	0	0	109.8
374	T	27.4	Very low	38.1	Very low	126 Å²	126	115 Å²	115	77%	0.773	65%	0.652	S	S	*	*			trans	-102.6	113.6	151.2	16.1	0	0	0	0	105.1	T372 A376	T372-T374 PolarHBondContact O-N 2.71Å; T374-A376 VanDerWaalsContact C-N 3.26Å; T374-A376 PolarHBondContact O-N 3.41Å
375	L	34.6	Very low	40.4	Very low	170 Å²	170	112.6 Å²	112.6	89%	0.89	64%	0.641	S	S	*	*			trans	-56.9	91.1	177.6	-76.3	154.7	0	0	0	108.6
376	A	31.4	Very low	42.7	Very low	75 Å²	75	111.9 Å²	111.9	62%	0.62	63%	0.628	S	S	*	*			trans	-57.8	141.8	168.5	0	0	0	0	0	107.5	T374 V378	T374-A376 VanDerWaalsContact C-N 3.26Å; T374-A376 PolarHBondContact O-N 3.41Å; A376-V378 PolarHBondContact O-N 3.43Å
377	P	45.1	Very low	45.4	Very low	99 Å²	99	107.3 Å²	107.3	64%	0.643	60%	0.601	S	S	*	*			trans	-53.5	130.2	174.8	21.2	-30.8	0	0	0	108.6	R379	P377-R379 PolarHBondContact O-N 3.3Å
378	V	54.1	Low	48.2	Very low	68 Å²	68	111 Å²	111	41%	0.412	61%	0.61	S	S	.	*			trans	-50.8	111.9	-179.6	178.6	0	0	0	0	108.2	A376 F380 G407	A376-V378 PolarHBondContact O-N 3.43Å; V378-F380 HydrophobicContact CB-CZ 4.35Å; V378-F380 HydrophobicContact CG1-CD1 4.16Å; V378-F380 HydrophobicContact CG1-CE1 3.6Å; V378-F380 HydrophobicContact CG1-CZ 3.83Å; V378-G407 WeakPolarHBondContact CG1-O 3.17Å; V378-G407 WeakPolarHBondContact CG2-O 3.3Å
379	R	60	Low	51.1	Low	176 Å²	176	109.6 Å²	109.6	66%	0.664	62%	0.62	S	S	*	*			trans	-87	112.3	175.4	-72	-175.5	179.7	-179.9	-1.1	107.5	P377	P377-R379 PolarHBondContact O-N 3.3Å
380	F	60.5	Low	54	Low	23 Å²	23	106.5 Å²	106.5	10%	0.101	60%	0.604	C	S	.	*	P	Polyproline II helix	trans	-76.1	129.4	168.6	-53.8	-68.5	0	0	0	107.4	V378 W382 Q404 Y446 A531	V378-F380 HydrophobicContact CB-CZ 4.35Å; V378-F380 HydrophobicContact CG1-CD1 4.16Å; V378-F380 HydrophobicContact CG1-CE1 3.6Å; V378-F380 HydrophobicContact CG1-CZ 3.83Å; F380-W382 PolarHBondContact O-N 3.09Å; F380-Q404 HydrophobicContact CD1-CG 4.15Å; F380-Q404 HydrophobicContact CE1-CB 4.21Å; F380-Q404 HydrophobicContact CE1-CG 3.58Å; F380-Q404 HydrophobicContact CE2-CG 4.47Å; F380-Q404 HydrophobicContact CZ-CG 3.77Å; F380-Y446 HydrophobicContact CB-CE1 4Å; F380-Y446 WeakPolarHBondContact CB-OH 3.47Å; F380-Y446 HydrophobicContact CD2-CE2 4.18Å; F380-Y446 PolarHBondContact N-OH 3.38Å; F380-Y446 VanDerWaalsContact O-CE1 3.32Å; F380-Y446 WeakPolarHBondContact O-CE1 3.43Å; F380-Y446 PolarHBondContact O-OH 3.48Å; F380-A531 HydrophobicContact CE2-CB 3.88Å; F380-A531 HydrophobicContact CZ-CB 4.13Å
381	L	59.2	Low	57.1	Low	60 Å²	60	106.3 Å²	106.3	31%	0.314	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-72.2	119.2	-177.1	-171.4	69.7	0	0	0	108.7	K383 S409 P411 N414	L381-K383 HydrophobicContact CD1-CG 4.36Å; L381-K383 HydrophobicContact CD2-CD 4.26Å; L381-K383 HydrophobicContact CD2-CG 4.43Å; L381-K383 HydrophobicContact CG-CG 4.22Å; L381-S409 PolarHBondContact N-OG 3.19Å; L381-P411 HydrophobicContact CD2-CB 4.17Å; L381-N414 CarbonylContact O-C 3.03Å; L381-N414 WeakPolarHBondContact O-CA 2.96Å
382	W	60.7	Low	60.2	Low	71 Å²	71	99 Å²	99	27%	0.269	57%	0.565	S	S	.	*	B	Isolated β-bridge	trans	-103.8	125.1	161.6	-175.5	82.9	0	0	0	109.6	F380 N414 Y446 A447 L469	F380-W382 PolarHBondContact O-N 3.09Å; W382-N414 VanDerWaalsContact CA-O 3.32Å; W382-N414 WeakPolarHBondContact CA-O 3.25Å; W382-N414 VanDerWaalsContact CD1-O 3.3Å; W382-Y446 HydrophobicContact CB-CD1 4.35Å; W382-A447 HydrophobicContact CD2-CB 3.24Å; W382-A447 HydrophobicContact CE3-CB 3.76Å; W382-A447 HydrophobicContact CG-CB 3.58Å; W382-A447 HydrophobicContact CH2-CB 4.07Å; W382-A447 HydrophobicContact CZ2-CB 3.62Å; W382-A447 HydrophobicContact CZ3-CB 4.14Å; W382-L469 HydrophobicContact CH2-CD1 4.07Å; W382-L469 HydrophobicContact CH2-CD2 4.26Å; W382-L469 HydrophobicContact CZ2-CD1 3.82Å; W382-L469 HydrophobicContact CZ2-CD2 3.99Å
383	K	62.9	Low	63.1	Low	113 Å²	113	97.6 Å²	97.6	49%	0.491	56%	0.56	S	S	.	*			trans	-144	139.7	167.7	-71.4	-172.1	176.2	-174.9	0	107.5	L381 E385 N414	L381-K383 HydrophobicContact CD1-CG 4.36Å; L381-K383 HydrophobicContact CD2-CD 4.26Å; L381-K383 HydrophobicContact CD2-CG 4.43Å; L381-K383 HydrophobicContact CG-CG 4.22Å; K383-E385 WeakPolarHBondContact CB-O 3.48Å; K383-E385 PolarHBondContact O-N 3.14Å; K383-N414 HydrophobicContact CB-CB 4.26Å; K383-N414 PolarHBondContact N-O 3.45Å; K383-N414 VanDerWaalsContact N-O 3.08Å; K383-N414 WeakPolarHBondContact O-CB 3.15Å; K383-N414 PolarHBondContact O-ND2 2.95Å; K383-N414 VanDerWaalsContact O-ND2 3.1Å
384	S	63.2	Low	66	Low	98 Å²	98	98.2 Å²	98.2	69%	0.685	55%	0.554	S	S	*	*	S	Bend	trans	-57.4	-36.3	176.6	48.7	0	0	0	0	111.9
385	E	71.1	Confident	68.9	Low	141 Å²	141	94.2 Å²	94.2	66%	0.659	53%	0.526	S	S	*	.	S	Bend	trans	-119.9	148.7	-174.8	-67	-180	-176.4	0	0	112	K383 N414	K383-E385 WeakPolarHBondContact CB-O 3.48Å; K383-E385 PolarHBondContact O-N 3.14Å; E385-N414 PolarHBondContact O-ND2 3.18Å
386	P	75.1	Confident	71.6	Confident	72 Å²	72	89.5 Å²	89.5	47%	0.468	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-60.4	156.2	170.5	-19.7	32	0	0	0	111.4	E388 C392	P386-E388 PolarHBondContact O-N 2.95Å; P386-C392 HydrophobicContact CB-CB 4.43Å
387	P	80	Confident	74.4	Confident	37 Å²	37	86.3 Å²	86.3	24%	0.24	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-57	136	173.1	-19.2	30.1	0	0	0	111.8	G389 M390 P411	P387-G389 PolarHBondContact O-N 2.94Å; P387-M390 HydrophobicContact CB-CB 4.2Å; P387-M390 HydrophobicContact CG-SD 4.46Å; P387-M390 PolarHBondContact O-N 3.26Å; P387-P411 HydrophobicContact CG-CB 3.51Å
388	E	82.8	Confident	76.6	Confident	196 Å²	196	85.4 Å²	85.4	92%	0.916	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	134	176.2	-66.4	-178.4	179.5	0	0	111.2	P386 M390	P386-E388 PolarHBondContact O-N 2.95Å; E388-M390 VanDerWaalsContact C-N 3.27Å; E388-M390 PolarHBondContact O-N 3.33Å
389	G	85	Confident	78.5	Confident	94 Å²	94	85.1 Å²	85.1	97%	0.969	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-4.7	178.2	0	0	0	0	0	115.9	P387	P387-G389 PolarHBondContact O-N 2.94Å
390	M	85.4	Confident	80	Confident	88 Å²	88	76.9 Å²	76.9	43%	0.433	43%	0.429	S	S	.	.			trans	-98.3	129.3	179.2	-162.2	172.6	-155.2	0	0	111.9	P387 E388 C392 H410	P387-M390 HydrophobicContact CB-CB 4.2Å; P387-M390 HydrophobicContact CG-SD 4.46Å; P387-M390 PolarHBondContact O-N 3.26Å; E388-M390 VanDerWaalsContact C-N 3.27Å; E388-M390 PolarHBondContact O-N 3.33Å; M390-C392 PolarHBondContact O-N 2.99Å; M390-H410 WeakPolarHBondContact CE-CE1 3.37Å
391	D	88.3	Confident	81.5	Confident	112 Å²	112	77.1 Å²	77.1	60%	0.599	43%	0.432	S	S	*	.			trans	-78.8	106.1	172.6	-177.8	14.1	0	0	0	111.1	S393	D391-S393 WeakPolarHBondContact OD1-CB 3.15Å; D391-S393 PolarHBondContact OD1-N 2.98Å; D391-S393 PolarHBondContact OD1-OG 3.04Å
392	C	88.2	Confident	83	Confident	27 Å²	27	79.6 Å²	79.6	18%	0.182	44%	0.44	C	S	.	.			trans	-92.1	8.7	178.7	-65.2	0	0	0	0	114	P386 M390 L394 H395 C412	P386-C392 HydrophobicContact CB-CB 4.43Å; M390-C392 PolarHBondContact O-N 2.99Å; C392-L394 VanDerWaalsContact C-N 3.26Å; C392-L394 PolarHBondContact O-N 3.35Å; C392-H395 WeakPolarHBondContact O-CB 3.27Å; C392-H395 PolarHBondContact O-N 2.7Å; C392-C412 WeakPolarHBondContact CA-SG 3.46Å; C392-C412 HydrophobicContact CB-CB 3.54Å; C392-C412 WeakPolarHBondContact CB-SG 3.32Å; C392-C412 VanDerWaalsContact SG-CA 3.53Å; C392-C412 WeakPolarHBondContact SG-CB 3.36Å; C392-C412 CovalentContact SG-SG 2.04Å; C392-C412 PolarHBondContact SG-SG 2.54Å
393	S	85.6	Confident	84.5	Confident	96 Å²	96	78.1 Å²	78.1	67%	0.671	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-31.6	-176.2	-57.6	0	0	0	0	114	D391 H395	D391-S393 WeakPolarHBondContact OD1-CB 3.15Å; D391-S393 PolarHBondContact OD1-N 2.98Å; D391-S393 PolarHBondContact OD1-OG 3.04Å; S393-H395 VanDerWaalsContact C-N 3.34Å
394	L	86.4	Confident	85.8	Confident	120 Å²	120	73.1 Å²	73.1	63%	0.628	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-16.5	177.4	-65.7	173.4	0	0	0	113.4	C392 T396	C392-L394 VanDerWaalsContact C-N 3.26Å; C392-L394 PolarHBondContact O-N 3.35Å; L394-T396 VanDerWaalsContact C-N 3.31Å; L394-T396 PolarHBondContact O-N 3.23Å
395	H	88.6	Confident	87.1	Confident	43 Å²	43	73.1 Å²	73.1	20%	0.199	41%	0.408	C	S	.	.			trans	-87.9	70.3	-174.2	-67.5	88.8	0	0	0	111.7	C392 S393 H410 C412	C392-H395 WeakPolarHBondContact O-CB 3.27Å; C392-H395 PolarHBondContact O-N 2.7Å; S393-H395 VanDerWaalsContact C-N 3.34Å; H395-H410 AromaticContact CD2-CE1 3.97Å; H395-H410 AromaticContact CD2-CG 3.83Å; H395-H410 AromaticContact CD2-ND1 3.41Å; H395-H410 PolarHBondContact CD2-ND1 3.08Å; H395-H410 AromaticContact CE1-CE1 3.39Å; H395-H410 PolarHBondContact CE1-CE1 3.17Å; H395-H410 AromaticContact CE1-ND1 3.63Å; H395-H410 AromaticContact NE2-CD2 3.82Å; H395-H410 AromaticContact NE2-CE1 3.25Å; H395-H410 PolarHBondContact NE2-CE1 3.24Å; H395-H410 AromaticContact NE2-CG 3.52Å; H395-H410 AromaticContact NE2-ND1 3.13Å; H395-H410 PolarHBondContact NE2-ND1 3.49Å; H395-H410 VanDerWaalsContact NE2-ND1 3.13Å; H395-H410 AromaticContact NE2-NE2 3.68Å; H395-C412 HydrophobicContact CB-CB 3.45Å; H395-C412 VanDerWaalsContact CB-CB 3.45Å
396	T	90.1	Very high	87.9	Confident	71 Å²	71	74.2 Å²	74.2	44%	0.436	41%	0.41	S	S	.	.			trans	-70.2	158.2	175.1	64.6	0	0	0	0	111.9	L394 E398 L399 C400	L394-T396 VanDerWaalsContact C-N 3.31Å; L394-T396 PolarHBondContact O-N 3.23Å; T396-E398 PolarHBondContact O-N 2.02Å; T396-E398 VanDerWaalsContact O-N 3.08Å; T396-L399 PolarHBondContact O-N 2.62Å; T396-L399 PolarHBondContact OG1-N 3.11Å; T396-C400 PolarHBondContact O-N 3.43Å; T396-C400 PolarHBondContact O-SG 3.46Å
397	D	89.9	Confident	88.5	Confident	8 Å²	8	72.3 Å²	72.3	4%	0.043	40%	0.404	C	S	.	.	H	α-helix	trans	-53.4	-30.5	173.7	-72.5	19.2	0	0	0	112.3	L401 K415 Y418 T424	D397-L401 VanDerWaalsContact O-CB 3.26Å; D397-L401 WeakPolarHBondContact O-CB 3.34Å; D397-L401 PolarHBondContact O-N 3.11Å; D397-K415 IonicContact OD1-NZ 2.86Å; D397-K415 PolarHBondContact OD1-NZ 2.69Å; D397-K415 IonicContact OD2-NZ 3.33Å; D397-K415 PolarHBondContact OD2-NZ 3.45Å; D397-Y418 HydrophobicContact CB-CD1 3.88Å; D397-Y418 HydrophobicContact CB-CE1 4Å; D397-T424 HydrophobicContact CB-CG2 4.16Å
398	E	92.4	Very high	88.7	Confident	79 Å²	79	73.8 Å²	73.8	37%	0.369	41%	0.412	S	S	.	.	H	α-helix	trans	-69	-43.1	175.4	-168.4	-175.5	147.2	0	0	112.6	T396 L401 K402 K427	T396-E398 PolarHBondContact O-N 2.02Å; T396-E398 VanDerWaalsContact O-N 3.08Å; E398-L401 PolarHBondContact O-N 3.07Å; E398-K402 WeakPolarHBondContact O-CG 3.4Å; E398-K402 PolarHBondContact O-N 3.22Å; E398-K402 WeakPolarHBondContact OE1-CE 3.04Å; E398-K402 IonicContact OE1-NZ 2.8Å; E398-K402 PolarHBondContact OE1-NZ 3.15Å; E398-K427 IonicContact OE2-NZ 3.11Å
399	L	92.8	Very high	88.8	Confident	63 Å²	63	66.6 Å²	66.6	33%	0.33	38%	0.384	S	S	.	.	H	α-helix	trans	-65.2	-44.1	174.7	180	60.3	0	0	0	110.5	T396 L401 K402 L403	T396-L399 PolarHBondContact O-N 2.62Å; T396-L399 PolarHBondContact OG1-N 3.11Å; L399-L401 VanDerWaalsContact C-N 3.33Å; L399-L401 PolarHBondContact O-N 3.29Å; L399-K402 WeakPolarHBondContact O-CB 3.48Å; L399-K402 PolarHBondContact O-N 2.73Å; L399-K402 VanDerWaalsContact O-N 3.12Å; L399-L403 HydrophobicContact CG-CD1 4.35Å; L399-L403 WeakPolarHBondContact O-CG 3.05Å; L399-L403 PolarHBondContact O-N 3.49Å
400	C	92.3	Very high	88.9	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.014	35%	0.348	C	S	.	.	H	α-helix	trans	-62.9	-38.9	178.3	-66.6	0	0	0	0	112.6	T396 L403 Q404 C413 Y418	T396-C400 PolarHBondContact O-N 3.43Å; T396-C400 PolarHBondContact O-SG 3.46Å; C400-L403 PolarHBondContact O-N 3.29Å; C400-Q404 WeakPolarHBondContact O-CB 3.47Å; C400-Q404 PolarHBondContact O-N 3.01Å; C400-C413 WeakPolarHBondContact CA-SG 3.45Å; C400-C413 HydrophobicContact CB-CB 3.64Å; C400-C413 WeakPolarHBondContact CB-SG 3.15Å; C400-C413 WeakPolarHBondContact SG-CA 3.3Å; C400-C413 WeakPolarHBondContact SG-CB 3.07Å; C400-C413 CovalentContact SG-SG 2.04Å; C400-C413 PolarHBondContact SG-SG 2.87Å; C400-Y418 HydrophobicContact CB-CD1 4.15Å; C400-Y418 HydrophobicContact CB-CD2 3.85Å; C400-Y418 HydrophobicContact CB-CE1 3.82Å; C400-Y418 HydrophobicContact CB-CE2 3.53Å; C400-Y418 HydrophobicContact CB-CG 4.15Å; C400-Y418 VanDerWaalsContact CB-CZ 3.5Å
401	L	91.9	Very high	89	Confident	29 Å²	29	62.7 Å²	62.7	15%	0.152	34%	0.344	C	S	.	.	H	α-helix	trans	-63.1	-41.5	172.1	-179.5	62.8	0	0	0	112.1	D397 E398 L399 Q404 N405 Y418	D397-L401 VanDerWaalsContact O-CB 3.26Å; D397-L401 WeakPolarHBondContact O-CB 3.34Å; D397-L401 PolarHBondContact O-N 3.11Å; E398-L401 PolarHBondContact O-N 3.07Å; L399-L401 VanDerWaalsContact C-N 3.33Å; L399-L401 PolarHBondContact O-N 3.29Å; L401-Q404 PolarHBondContact O-N 3Å; L401-N405 WeakPolarHBondContact O-CB 3.13Å; L401-N405 PolarHBondContact O-N 3.43Å; L401-N405 PolarHBondContact O-ND2 3.32Å; L401-Y418 WeakPolarHBondContact CD1-O 3.36Å
402	K	91.7	Very high	89	Confident	112 Å²	112	57.7 Å²	57.7	49%	0.487	32%	0.318	S	S	.	.	H	α-helix	trans	-63.1	-41.8	176.1	-74	172.1	-172.6	165.7	0	111.8	E398 L399 K406	E398-K402 WeakPolarHBondContact O-CG 3.4Å; E398-K402 PolarHBondContact O-N 3.22Å; E398-K402 WeakPolarHBondContact OE1-CE 3.04Å; E398-K402 IonicContact OE1-NZ 2.8Å; E398-K402 PolarHBondContact OE1-NZ 3.15Å; L399-K402 WeakPolarHBondContact O-CB 3.48Å; L399-K402 PolarHBondContact O-N 2.73Å; L399-K402 VanDerWaalsContact O-N 3.12Å; K402-K406 WeakPolarHBondContact O-CG 3.38Å; K402-K406 PolarHBondContact O-N 2.78Å
403	L	90.4	Very high	89	Confident	40 Å²	40	56.6 Å²	56.6	21%	0.209	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-47.3	174.7	-68.1	172.9	0	0	0	111	L399 C400 N405 K406 G407 T408 H410	L399-L403 HydrophobicContact CG-CD1 4.35Å; L399-L403 WeakPolarHBondContact O-CG 3.05Å; L399-L403 PolarHBondContact O-N 3.49Å; C400-L403 PolarHBondContact O-N 3.29Å; L403-N405 VanDerWaalsContact C-N 3.29Å; L403-N405 PolarHBondContact O-N 2.89Å; L403-K406 CarbonylContact O-C 3.51Å; L403-K406 WeakPolarHBondContact O-CA 2.9Å; L403-K406 WeakPolarHBondContact O-CB 3.42Å; L403-K406 PolarHBondContact O-N 3.31Å; L403-G407 PolarHBondContact O-N 2.75Å; L403-T408 CarbonylContact C-O 3.52Å; L403-T408 PolarHBondContact O-N 2.98Å; L403-T408 PolarHBondContact O-OG1 3.2Å; L403-H410 HydrophobicContact CD1-CB 3.8Å
404	Q	91.5	Very high	88.9	Confident	8 Å²	8	52.9 Å²	52.9	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-56.1	-43.8	177.5	-174.7	-172.9	-90	0	0	111.9	F380 C400 L401 K406 G407 T408 Y418 A531	F380-Q404 HydrophobicContact CD1-CG 4.15Å; F380-Q404 HydrophobicContact CE1-CB 4.21Å; F380-Q404 HydrophobicContact CE1-CG 3.58Å; F380-Q404 HydrophobicContact CE2-CG 4.47Å; F380-Q404 HydrophobicContact CZ-CG 3.77Å; C400-Q404 WeakPolarHBondContact O-CB 3.47Å; C400-Q404 PolarHBondContact O-N 3.01Å; L401-Q404 PolarHBondContact O-N 3Å; Q404-K406 PolarHBondContact O-N 3.08Å; Q404-G407 WeakPolarHBondContact O-CA 3.24Å; Q404-G407 PolarHBondContact O-N 2.9Å; Q404-T408 WeakPolarHBondContact CA-O 3.36Å; Q404-T408 PolarHBondContact N-O 2.87Å; Q404-Y418 PolarHBondContact NE2-O 3.38Å; Q404-A531 VanDerWaalsContact CD-CB 3.47Å; Q404-A531 HydrophobicContact CG-CB 3.81Å
405	N	89.4	Confident	88.8	Confident	98 Å²	98	51.1 Å²	51.1	52%	0.524	27%	0.27	S	S	.	.	H	α-helix	trans	-67.9	-23.9	178	-69.1	-15	0	0	0	113.1	L401 L403	L401-N405 WeakPolarHBondContact O-CB 3.13Å; L401-N405 PolarHBondContact O-N 3.43Å; L401-N405 PolarHBondContact O-ND2 3.32Å; L403-N405 VanDerWaalsContact C-N 3.29Å; L403-N405 PolarHBondContact O-N 2.89Å
406	K	89.1	Confident	88.6	Confident	163 Å²	163	49.2 Å²	49.2	71%	0.709	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	0.8	169.9	-69	178.8	178.5	-175	0	112.7	K402 L403 Q404 T408	K402-K406 WeakPolarHBondContact O-CG 3.38Å; K402-K406 PolarHBondContact O-N 2.78Å; L403-K406 CarbonylContact O-C 3.51Å; L403-K406 WeakPolarHBondContact O-CA 2.9Å; L403-K406 WeakPolarHBondContact O-CB 3.42Å; L403-K406 PolarHBondContact O-N 3.31Å; Q404-K406 PolarHBondContact O-N 3.08Å; K406-T408 PolarHBondContact O-N 2.93Å
407	G	86.3	Confident	88.6	Confident	33 Å²	33	45.8 Å²	45.8	34%	0.34	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	20.3	-175.5	0	0	0	0	0	113.3	V378 L403 Q404	V378-G407 WeakPolarHBondContact CG1-O 3.17Å; V378-G407 WeakPolarHBondContact CG2-O 3.3Å; L403-G407 PolarHBondContact O-N 2.75Å; Q404-G407 WeakPolarHBondContact O-CA 3.24Å; Q404-G407 PolarHBondContact O-N 2.9Å
408	T	85.1	Confident	88.7	Confident	67 Å²	67	45.6 Å²	45.6	41%	0.411	24%	0.24	S	C	.	.			trans	-116.3	159	176.9	59.1	0	0	0	0	110.7	L403 Q404 K406	L403-T408 CarbonylContact C-O 3.52Å; L403-T408 PolarHBondContact O-N 2.98Å; L403-T408 PolarHBondContact O-OG1 3.2Å; Q404-T408 WeakPolarHBondContact CA-O 3.36Å; Q404-T408 PolarHBondContact N-O 2.87Å; K406-T408 PolarHBondContact O-N 2.93Å
409	S	84.6	Confident	88.7	Confident	45 Å²	45	42.2 Å²	42.2	32%	0.315	22%	0.224	S	C	.	.			trans	-135.8	151.5	176.3	-169.6	0	0	0	0	108.7	L381	L381-S409 PolarHBondContact N-OG 3.19Å
410	H	87.5	Confident	88.6	Confident	46 Å²	46	39.6 Å²	39.6	21%	0.213	21%	0.211	C	C	.	.			trans	-118.1	147.1	175.6	-173.9	-93.2	0	0	0	109.1	M390 H395 L403 C412 C413	M390-H410 WeakPolarHBondContact CE-CE1 3.37Å; H395-H410 AromaticContact CD2-CE1 3.97Å; H395-H410 AromaticContact CD2-CG 3.83Å; H395-H410 AromaticContact CD2-ND1 3.41Å; H395-H410 PolarHBondContact CD2-ND1 3.08Å; H395-H410 AromaticContact CE1-CE1 3.39Å; H395-H410 PolarHBondContact CE1-CE1 3.17Å; H395-H410 AromaticContact CE1-ND1 3.63Å; H395-H410 AromaticContact NE2-CD2 3.82Å; H395-H410 AromaticContact NE2-CE1 3.25Å; H395-H410 PolarHBondContact NE2-CE1 3.24Å; H395-H410 AromaticContact NE2-CG 3.52Å; H395-H410 AromaticContact NE2-ND1 3.13Å; H395-H410 PolarHBondContact NE2-ND1 3.49Å; H395-H410 VanDerWaalsContact NE2-ND1 3.13Å; H395-H410 AromaticContact NE2-NE2 3.68Å; L403-H410 HydrophobicContact CD1-CB 3.8Å; H410-C412 WeakPolarHBondContact ND1-CB 3.07Å; H410-C412 PolarHBondContact ND1-N 3.49Å; H410-C412 VanDerWaalsContact ND1-N 3.11Å; H410-C412 PolarHBondContact O-N 2.82Å; H410-C412 VanDerWaalsContact O-N 3.12Å; H410-C413 WeakPolarHBondContact O-CA 3.14Å; H410-C413 WeakPolarHBondContact O-CB 3.46Å; H410-C413 PolarHBondContact O-N 3.43Å
411	P	86.1	Confident	88.6	Confident	55 Å²	55	39.9 Å²	39.9	36%	0.357	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-31.8	178.3	-31.3	37.8	0	0	0	115.4	L381 P387 C413	L381-P411 HydrophobicContact CD2-CB 4.17Å; P387-P411 HydrophobicContact CG-CB 3.51Å; P411-C413 VanDerWaalsContact C-N 3.31Å; P411-C413 PolarHBondContact O-N 3.41Å
412	C	88.8	Confident	88.5	Confident	7 Å²	7	40 Å²	40	5%	0.047	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-15.7	173.6	-66.9	0	0	0	0	114.7	C392 H395 H410 N414	C392-C412 WeakPolarHBondContact CA-SG 3.46Å; C392-C412 HydrophobicContact CB-CB 3.54Å; C392-C412 WeakPolarHBondContact CB-SG 3.32Å; C392-C412 VanDerWaalsContact SG-CA 3.53Å; C392-C412 WeakPolarHBondContact SG-CB 3.36Å; C392-C412 CovalentContact SG-SG 2.04Å; C392-C412 PolarHBondContact SG-SG 2.54Å; H395-C412 HydrophobicContact CB-CB 3.45Å; H395-C412 VanDerWaalsContact CB-CB 3.45Å; H410-C412 WeakPolarHBondContact ND1-CB 3.07Å; H410-C412 PolarHBondContact ND1-N 3.49Å; H410-C412 VanDerWaalsContact ND1-N 3.11Å; H410-C412 PolarHBondContact O-N 2.82Å; H410-C412 VanDerWaalsContact O-N 3.12Å; C412-N414 PolarHBondContact O-N 2.96Å; C412-N414 PolarHBondContact O-OD1 3.17Å
413	C	89.1	Confident	88.6	Confident	3 Å²	3	35 Å²	35	2%	0.02	19%	0.194	C	C	.	.			trans	-84.7	46.9	174	-62	0	0	0	0	110.9	C400 H410 P411 K415 G416 Y418	C400-C413 WeakPolarHBondContact CA-SG 3.45Å; C400-C413 HydrophobicContact CB-CB 3.64Å; C400-C413 WeakPolarHBondContact CB-SG 3.15Å; C400-C413 WeakPolarHBondContact SG-CA 3.3Å; C400-C413 WeakPolarHBondContact SG-CB 3.07Å; C400-C413 CovalentContact SG-SG 2.04Å; C400-C413 PolarHBondContact SG-SG 2.87Å; H410-C413 WeakPolarHBondContact O-CA 3.14Å; H410-C413 WeakPolarHBondContact O-CB 3.46Å; H410-C413 PolarHBondContact O-N 3.43Å; P411-C413 VanDerWaalsContact C-N 3.31Å; P411-C413 PolarHBondContact O-N 3.41Å; C413-K415 PolarHBondContact O-N 3.49Å; C413-G416 PolarHBondContact O-N 3.02Å; C413-Y418 WeakPolarHBondContact CA-OH 3.43Å; C413-Y418 HydrophobicContact CB-CE2 4.13Å
414	N	83.2	Confident	88.6	Confident	19 Å²	19	34 Å²	34	10%	0.102	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-4.5	-168.3	68.3	-21.6	0	0	0	114.2	L381 W382 K383 E385 C412 G416	L381-N414 CarbonylContact O-C 3.03Å; L381-N414 WeakPolarHBondContact O-CA 2.96Å; W382-N414 VanDerWaalsContact CA-O 3.32Å; W382-N414 WeakPolarHBondContact CA-O 3.25Å; W382-N414 VanDerWaalsContact CD1-O 3.3Å; K383-N414 HydrophobicContact CB-CB 4.26Å; K383-N414 PolarHBondContact N-O 3.45Å; K383-N414 VanDerWaalsContact N-O 3.08Å; K383-N414 WeakPolarHBondContact O-CB 3.15Å; K383-N414 PolarHBondContact O-ND2 2.95Å; K383-N414 VanDerWaalsContact O-ND2 3.1Å; E385-N414 PolarHBondContact O-ND2 3.18Å; C412-N414 PolarHBondContact O-N 2.96Å; C412-N414 PolarHBondContact O-OD1 3.17Å; N414-G416 PolarHBondContact O-N 2.86Å
415	K	84.1	Confident	88.5	Confident	83 Å²	83	38 Å²	38	36%	0.361	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-73.9	-8.7	172.4	-53.2	179.8	-175.6	166.7	0	112.1	D397 C413 L417 Y418 Q443	D397-K415 IonicContact OD1-NZ 2.86Å; D397-K415 PolarHBondContact OD1-NZ 2.69Å; D397-K415 IonicContact OD2-NZ 3.33Å; D397-K415 PolarHBondContact OD2-NZ 3.45Å; C413-K415 PolarHBondContact O-N 3.49Å; K415-L417 PolarHBondContact O-N 3.1Å; K415-Y418 HydrophobicContact CB-CE1 4.16Å; K415-Y418 HydrophobicContact CB-CE2 4.46Å; K415-Y418 WeakPolarHBondContact CB-OH 3.4Å; K415-Y418 HydrophobicContact CD-CE1 4.07Å; K415-Y418 PolarHBondContact N-OH 3.2Å; K415-Q443 HydrophobicContact CB-CG 4.5Å; K415-Q443 WeakPolarHBondContact O-CB 3.3Å; K415-Q443 VanDerWaalsContact O-CG 3.31Å; K415-Q443 WeakPolarHBondContact O-CG 3.14Å
416	G	84.3	Confident	88.5	Confident	2 Å²	2	38.5 Å²	38.5	2%	0.021	22%	0.218	C	C	.	.			trans	82.9	-97.6	179.1	0	0	0	0	0	111.9	C413 N414 Y418	C413-G416 PolarHBondContact O-N 3.02Å; N414-G416 PolarHBondContact O-N 2.86Å; G416-Y418 VanDerWaalsContact O-CD2 3.27Å; G416-Y418 WeakPolarHBondContact O-CD2 3.48Å; G416-Y418 VanDerWaalsContact O-CE2 3.26Å; G416-Y418 WeakPolarHBondContact O-CE2 3.45Å
417	L	90.4	Very high	88.6	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.199	C	C	.	.			trans	-95.9	133.1	-170.5	-163.2	151.3	0	0	0	112.4	K415 L419 Q442 Q443 Y446 A531 L532 Y534	K415-L417 PolarHBondContact O-N 3.1Å; L417-L419 HydrophobicContact CD2-CD2 3.39Å; L417-L419 HydrophobicContact CD2-CG 4.11Å; L417-Q442 HydrophobicContact CD2-CB 4.18Å; L417-Q443 WeakPolarHBondContact O-CG 3.44Å; L417-Q443 PolarHBondContact O-NE2 3.15Å; L417-Y446 HydrophobicContact CD1-CD2 4.5Å; L417-A531 HydrophobicContact CD1-CB 4.18Å; L417-A531 WeakPolarHBondContact CD1-O 3.06Å; L417-A531 HydrophobicContact CG-CB 4.26Å; L417-L532 HydrophobicContact CD1-CD2 4.09Å; L417-L532 HydrophobicContact CD2-CD2 3.95Å; L417-L532 HydrophobicContact CD2-CG 4.5Å; L417-Y534 HydrophobicContact CD1-CD1 4.14Å; L417-Y534 HydrophobicContact CD1-CE1 4.04Å
418	Y	92.1	Very high	88.9	Confident	4 Å²	4	33 Å²	33	2%	0.016	19%	0.186	C	C	.	.			trans	-119.4	131.9	179	-60.5	-96	0	0	0	110.2	D397 C400 L401 Q404 C413 K415 G416	D397-Y418 HydrophobicContact CB-CD1 3.88Å; D397-Y418 HydrophobicContact CB-CE1 4Å; C400-Y418 HydrophobicContact CB-CD1 4.15Å; C400-Y418 HydrophobicContact CB-CD2 3.85Å; C400-Y418 HydrophobicContact CB-CE1 3.82Å; C400-Y418 HydrophobicContact CB-CE2 3.53Å; C400-Y418 HydrophobicContact CB-CG 4.15Å; C400-Y418 VanDerWaalsContact CB-CZ 3.5Å; L401-Y418 WeakPolarHBondContact CD1-O 3.36Å; Q404-Y418 PolarHBondContact NE2-O 3.38Å; C413-Y418 WeakPolarHBondContact CA-OH 3.43Å; C413-Y418 HydrophobicContact CB-CE2 4.13Å; K415-Y418 HydrophobicContact CB-CE1 4.16Å; K415-Y418 HydrophobicContact CB-CE2 4.46Å; K415-Y418 WeakPolarHBondContact CB-OH 3.4Å; K415-Y418 HydrophobicContact CD-CE1 4.07Å; K415-Y418 PolarHBondContact N-OH 3.2Å; G416-Y418 VanDerWaalsContact O-CD2 3.27Å; G416-Y418 WeakPolarHBondContact O-CD2 3.48Å; G416-Y418 VanDerWaalsContact O-CE2 3.26Å; G416-Y418 WeakPolarHBondContact O-CE2 3.45Å
419	L	91.9	Very high	89.3	Confident	8 Å²	8	31.7 Å²	31.7	4%	0.042	18%	0.177	C	C	.	.	S	Bend	trans	-101.1	-32.4	174.1	-54.3	-178.1	0	0	0	111.7	L417 F438 Q439 L526 I529 L532	L417-L419 HydrophobicContact CD2-CD2 3.39Å; L417-L419 HydrophobicContact CD2-CG 4.11Å; L419-F438 HydrophobicContact CD1-CD1 3.36Å; L419-F438 HydrophobicContact CD1-CE1 3.7Å; L419-Q439 HydrophobicContact CB-CB 4.41Å; L419-Q439 HydrophobicContact CB-CG 4.48Å; L419-Q439 HydrophobicContact CD1-CB 3.95Å; L419-Q439 HydrophobicContact CG-CB 4.14Å; L419-Q439 HydrophobicContact CG-CG 4.27Å; L419-L526 HydrophobicContact CD1-CD2 4.29Å; L419-L526 HydrophobicContact CD2-CD2 4.49Å; L419-I529 HydrophobicContact CB-CD1 4.07Å; L419-I529 HydrophobicContact CD2-CD1 3.73Å; L419-I529 HydrophobicContact CD2-CG2 4.14Å; L419-L532 HydrophobicContact CD2-CD1 4.11Å; L419-L532 HydrophobicContact CD2-CD2 3.95Å; L419-L532 HydrophobicContact CD2-CG 4.12Å
420	T	91.6	Very high	89.6	Confident	8 Å²	8	34.1 Å²	34.1	5%	0.049	19%	0.194	C	C	.	.			trans	-152.6	149.9	-177.6	-176.9	0	0	0	0	110.8	L422 C423 L435 Q439	T420-L422 HydrophobicContact CG2-CB 4.22Å; T420-L422 PolarHBondContact O-N 3.24Å; T420-L422 WeakPolarHBondContact OG1-CB 3.43Å; T420-L422 WeakPolarHBondContact OG1-CD1 3.3Å; T420-L422 WeakPolarHBondContact OG1-CG 3.01Å; T420-L422 PolarHBondContact OG1-N 3.33Å; T420-C423 HydrophobicContact CG2-CB 4.39Å; T420-C423 VanDerWaalsContact CG2-SG 3.5Å; T420-L435 HydrophobicContact CG2-CD2 3.76Å; T420-L435 HydrophobicContact CG2-CG 4.08Å; T420-Q439 PolarHBondContact O-OE1 2.91Å
421	G	91.1	Very high	89.7	Confident	7 Å²	7	34.4 Å²	34.4	7%	0.072	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	11.2	169.5	0	0	0	0	0	114
422	L	91.2	Very high	90	Very high	31 Å²	31	31.9 Å²	31.9	16%	0.162	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-13.3	-173.4	-59.3	172.3	0	0	0	114	T420 T424 K427 M432 I514 L516 E522	T420-L422 HydrophobicContact CG2-CB 4.22Å; T420-L422 PolarHBondContact O-N 3.24Å; T420-L422 WeakPolarHBondContact OG1-CB 3.43Å; T420-L422 WeakPolarHBondContact OG1-CD1 3.3Å; T420-L422 WeakPolarHBondContact OG1-CG 3.01Å; T420-L422 PolarHBondContact OG1-N 3.33Å; L422-T424 PolarHBondContact O-N 3.15Å; L422-K427 HydrophobicContact CD2-CD 4.32Å; L422-K427 WeakPolarHBondContact O-CB 3.36Å; L422-M432 HydrophobicContact CB-CE 3.55Å; L422-M432 HydrophobicContact CD1-CE 4.5Å; L422-M432 WeakPolarHBondContact O-CE 3.33Å; L422-I514 HydrophobicContact CD1-CD1 3.72Å; L422-L516 HydrophobicContact CD1-CD2 3.95Å; L422-L516 HydrophobicContact CD2-CD2 4.5Å; L422-E522 WeakPolarHBondContact CD1-OE2 3.49Å
423	C	92.7	Very high	90.2	Very high	9 Å²	9	32.5 Å²	32.5	6%	0.061	19%	0.19	C	C	.	.			trans	-85.4	53	-177.2	-67.3	0	0	0	0	112.3	T420 C436	T420-C423 HydrophobicContact CG2-CB 4.39Å; T420-C423 VanDerWaalsContact CG2-SG 3.5Å; C423-C436 WeakPolarHBondContact CA-SG 2.97Å; C423-C436 HydrophobicContact CB-CB 3.78Å; C423-C436 WeakPolarHBondContact CB-SG 3.47Å; C423-C436 WeakPolarHBondContact SG-CA 3.47Å; C423-C436 WeakPolarHBondContact SG-CB 3.45Å; C423-C436 CovalentContact SG-SG 2.05Å; C423-C436 PolarHBondContact SG-SG 3.36Å
424	T	90.6	Very high	90.2	Very high	19 Å²	19	36.7 Å²	36.7	12%	0.117	21%	0.21	C	C	.	.	S	Bend	trans	-117.3	150.2	176.9	57.4	0	0	0	0	110.2	D397 L422 D426 K427 C428 C479	D397-T424 HydrophobicContact CB-CG2 4.16Å; L422-T424 PolarHBondContact O-N 3.15Å; T424-D426 WeakPolarHBondContact CB-OD1 2.9Å; T424-D426 PolarHBondContact O-N 3.49Å; T424-D426 VanDerWaalsContact O-N 3.13Å; T424-D426 PolarHBondContact OG1-OD1 3.36Å; T424-K427 PolarHBondContact O-N 2.83Å; T424-C428 WeakPolarHBondContact O-CB 3.47Å; T424-C428 PolarHBondContact O-N 2.98Å; T424-C428 PolarHBondContact O-SG 3.4Å; T424-C428 VanDerWaalsContact O-SG 3.36Å; T424-C479 VanDerWaalsContact C-SG 3.59Å
425	P	89.5	Confident	90.6	Very high	91 Å²	91	35.8 Å²	35.8	59%	0.591	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-33.8	-172.8	-25.9	33.4	0	0	0	114.6	P478	P425-P478 HydrophobicContact CB-CG 3.82Å; P425-P478 HydrophobicContact CG-CG 3.68Å
426	D	90	Very high	91.1	Very high	109 Å²	109	31.9 Å²	31.9	58%	0.583	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-32.3	177.5	64.1	-44.3	0	0	0	112.7	T424 K517	T424-D426 WeakPolarHBondContact CB-OD1 2.9Å; T424-D426 PolarHBondContact O-N 3.49Å; T424-D426 VanDerWaalsContact O-N 3.13Å; T424-D426 PolarHBondContact OG1-OD1 3.36Å; D426-K517 PolarHBondContact O-NZ 2.99Å
427	K	90.6	Very high	91.5	Very high	69 Å²	69	31.8 Å²	31.8	30%	0.3	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-36.7	-174.5	-64.3	178.7	-170.3	175.3	0	113.7	E398 L422 T424 K517	E398-K427 IonicContact OE2-NZ 3.11Å; L422-K427 HydrophobicContact CD2-CD 4.32Å; L422-K427 WeakPolarHBondContact O-CB 3.36Å; T424-K427 PolarHBondContact O-N 2.83Å; K427-K517 WeakPolarHBondContact O-CD 3.32Å; K427-K517 VanDerWaalsContact O-CE 3.27Å; K427-K517 WeakPolarHBondContact O-CE 3.24Å; K427-K517 WeakPolarHBondContact O-CG 3.45Å
428	C	93.3	Very high	91.7	Very high	11 Å²	11	31.9 Å²	31.9	7%	0.074	19%	0.188	C	C	.	.			trans	-75.8	152.2	-168.7	74.3	0	0	0	0	114.1	T424 M432 C479 K517	T424-C428 WeakPolarHBondContact O-CB 3.47Å; T424-C428 PolarHBondContact O-N 2.98Å; T424-C428 PolarHBondContact O-SG 3.4Å; T424-C428 VanDerWaalsContact O-SG 3.36Å; C428-M432 HydrophobicContact CB-CE 4.48Å; C428-M432 HydrophobicContact CB-SD 4.49Å; C428-C479 HydrophobicContact CB-CB 3.61Å; C428-C479 WeakPolarHBondContact CB-SG 3.48Å; C428-C479 WeakPolarHBondContact SG-CA 3.49Å; C428-C479 WeakPolarHBondContact SG-CB 3.42Å; C428-C479 CovalentContact SG-SG 2.03Å; C428-C479 PolarHBondContact SG-SG 3.43Å; C428-K517 WeakPolarHBondContact O-CE 3.46Å; C428-K517 PolarHBondContact O-NZ 2.99Å; C428-K517 VanDerWaalsContact O-NZ 3.15Å
429	N	92.3	Very high	91.7	Very high	39 Å²	39	31.9 Å²	31.9	21%	0.209	19%	0.188	C	C	.	.			trans	-141	175.1	176.2	67.7	40.9	0	0	0	110.2	A431 M432 R515 K517	N429-A431 PolarHBondContact O-N 3.46Å; N429-A431 VanDerWaalsContact O-N 3.15Å; N429-A431 WeakPolarHBondContact OD1-CA 2.94Å; N429-A431 VanDerWaalsContact OD1-CB 3.28Å; N429-A431 WeakPolarHBondContact OD1-CB 3.16Å; N429-A431 PolarHBondContact OD1-N 3.45Å; N429-M432 WeakPolarHBondContact O-CB 3.42Å; N429-M432 PolarHBondContact O-N 2.88Å; N429-M432 PolarHBondContact OD1-N 3.32Å; N429-R515 PolarHBondContact ND2-O 3.43Å; N429-R515 PolarHBondContact OD1-O 3.01Å; N429-K517 HydrophobicContact CB-CG 4.15Å; N429-K517 PolarHBondContact ND2-N 2.88Å
430	S	90.8	Very high	91.7	Very high	96 Å²	96	32.6 Å²	32.6	67%	0.671	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-61.4	-25.1	-177.5	57.3	0	0	0	0	114.8	M432 N433	S430-M432 PolarHBondContact O-N 3.39Å; S430-N433 WeakPolarHBondContact O-CB 3.25Å; S430-N433 PolarHBondContact O-N 2.85Å; S430-N433 PolarHBondContact O-ND2 3.38Å; S430-N433 VanDerWaalsContact O-ND2 3.09Å
431	A	90.6	Very high	91.8	Very high	53 Å²	53	32.2 Å²	32.2	44%	0.438	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-74.9	-13.3	175.2	0	0	0	0	0	112.9	N429 R515	N429-A431 PolarHBondContact O-N 3.46Å; N429-A431 VanDerWaalsContact O-N 3.15Å; N429-A431 WeakPolarHBondContact OD1-CA 2.94Å; N429-A431 VanDerWaalsContact OD1-CB 3.28Å; N429-A431 WeakPolarHBondContact OD1-CB 3.16Å; N429-A431 PolarHBondContact OD1-N 3.45Å; A431-R515 HydrophobicContact CB-CB 4.34Å
432	M	92.3	Very high	91.8	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-95.6	-4.3	177	-64.3	171.9	65.1	0	0	113.1	L422 C428 N429 S430 Q434 L435 C436 I514 L516	L422-M432 HydrophobicContact CB-CE 3.55Å; L422-M432 HydrophobicContact CD1-CE 4.5Å; L422-M432 WeakPolarHBondContact O-CE 3.33Å; C428-M432 HydrophobicContact CB-CE 4.48Å; C428-M432 HydrophobicContact CB-SD 4.49Å; N429-M432 WeakPolarHBondContact O-CB 3.42Å; N429-M432 PolarHBondContact O-N 2.88Å; N429-M432 PolarHBondContact OD1-N 3.32Å; S430-M432 PolarHBondContact O-N 3.39Å; M432-Q434 PolarHBondContact O-N 3.22Å; M432-Q434 VanDerWaalsContact O-N 3.1Å; M432-L435 PolarHBondContact O-N 3.47Å; M432-C436 PolarHBondContact O-N 3.41Å; M432-I514 HydrophobicContact CE-CD1 4.21Å; M432-I514 HydrophobicContact CG-CB 4.24Å; M432-I514 HydrophobicContact CG-CG2 4.47Å; M432-L516 HydrophobicContact CE-CD2 4.49Å; M432-L516 HydrophobicContact SD-CD2 4.32Å
433	N	91.8	Very high	91.9	Very high	20 Å²	20	31.5 Å²	31.5	11%	0.107	18%	0.182	C	C	.	.	H	α-helix	trans	-53	-36.4	-177.5	-70.1	-11.8	0	0	0	113	S430 C437 C479 I484	S430-N433 WeakPolarHBondContact O-CB 3.25Å; S430-N433 PolarHBondContact O-N 2.85Å; S430-N433 PolarHBondContact O-ND2 3.38Å; S430-N433 VanDerWaalsContact O-ND2 3.09Å; N433-C437 WeakPolarHBondContact O-CB 3.12Å; N433-C437 PolarHBondContact O-N 2.74Å; N433-C437 PolarHBondContact O-SG 2.98Å; N433-C479 PolarHBondContact OD1-O 3.46Å; N433-I484 HydrophobicContact CB-CG2 4.28Å; N433-I484 WeakPolarHBondContact ND2-CD1 3.15Å
434	Q	90.4	Very high	91.9	Very high	92 Å²	92	31.3 Å²	31.3	43%	0.43	18%	0.18	S	C	.	.	H	α-helix	trans	-61.4	-51.9	176.8	-72.7	179.5	-1.8	0	0	111.9	M432 F438 Y488 F512	M432-Q434 PolarHBondContact O-N 3.22Å; M432-Q434 VanDerWaalsContact O-N 3.1Å; Q434-F438 VanDerWaalsContact O-CB 3.24Å; Q434-F438 WeakPolarHBondContact O-CB 3.42Å; Q434-F438 PolarHBondContact O-N 3.22Å; Q434-Y488 WeakPolarHBondContact CG-OH 3.24Å; Q434-F512 HydrophobicContact CB-CD1 4.31Å; Q434-F512 HydrophobicContact CB-CE1 4.24Å
435	L	91.8	Very high	91.9	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.4	-46.5	-179.9	174.4	63.2	0	0	0	111.3	T420 M432 F438 Q439 F512 I514 V524	T420-L435 HydrophobicContact CG2-CD2 3.76Å; T420-L435 HydrophobicContact CG2-CG 4.08Å; M432-L435 PolarHBondContact O-N 3.47Å; L435-F438 PolarHBondContact O-N 3.37Å; L435-Q439 PolarHBondContact O-N 2.58Å; L435-F512 HydrophobicContact CB-CB 4.37Å; L435-F512 HydrophobicContact CB-CD1 4.15Å; L435-F512 HydrophobicContact CB-CG 4.14Å; L435-F512 HydrophobicContact CD1-CB 4.23Å; L435-F512 HydrophobicContact CD1-CD2 3.52Å; L435-F512 HydrophobicContact CD1-CE2 3.92Å; L435-F512 HydrophobicContact CD1-CG 3.85Å; L435-I514 HydrophobicContact CB-CG2 3.97Å; L435-I514 HydrophobicContact CD2-CD1 3.89Å; L435-I514 HydrophobicContact CD2-CG2 3.91Å; L435-V524 HydrophobicContact CD1-CB 4.42Å; L435-V524 HydrophobicContact CD1-CG1 4.12Å; L435-V524 HydrophobicContact CD2-CB 4.35Å; L435-V524 HydrophobicContact CD2-CG2 3.84Å
436	C	93.6	Very high	92	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	15%	0.149	C	C	.	.	H	α-helix	trans	-72.7	-37.5	-175.4	-62.5	0	0	0	0	112.7	C423 M432 F438 Q439 R440 C479	C423-C436 WeakPolarHBondContact CA-SG 2.97Å; C423-C436 HydrophobicContact CB-CB 3.78Å; C423-C436 WeakPolarHBondContact CB-SG 3.47Å; C423-C436 WeakPolarHBondContact SG-CA 3.47Å; C423-C436 WeakPolarHBondContact SG-CB 3.45Å; C423-C436 CovalentContact SG-SG 2.05Å; C423-C436 PolarHBondContact SG-SG 3.36Å; M432-C436 PolarHBondContact O-N 3.41Å; C436-F438 VanDerWaalsContact C-N 3.32Å; C436-F438 PolarHBondContact O-N 2.96Å; C436-Q439 PolarHBondContact O-N 3.47Å; C436-R440 WeakPolarHBondContact O-CB 3.28Å; C436-R440 PolarHBondContact O-N 3.1Å; C436-C479 HydrophobicContact CB-CB 3.79Å
437	C	93.7	Very high	92	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.2	-36.7	169.4	-71.4	0	0	0	0	112.2	N433 R440 Y441 F470 C480 Y488	N433-C437 WeakPolarHBondContact O-CB 3.12Å; N433-C437 PolarHBondContact O-N 2.74Å; N433-C437 PolarHBondContact O-SG 2.98Å; C437-R440 PolarHBondContact O-N 2.76Å; C437-Y441 WeakPolarHBondContact O-CB 2.9Å; C437-Y441 PolarHBondContact O-N 3.22Å; C437-F470 HydrophobicContact CB-CE2 4.06Å; C437-F470 HydrophobicContact CB-CZ 4.21Å; C437-F470 VanDerWaalsContact O-CE2 3.25Å; C437-F470 WeakPolarHBondContact O-CE2 3.31Å; C437-C480 WeakPolarHBondContact CA-SG 3.41Å; C437-C480 HydrophobicContact CB-CB 3.98Å; C437-C480 WeakPolarHBondContact CB-SG 3.2Å; C437-C480 WeakPolarHBondContact SG-CA 3.41Å; C437-C480 WeakPolarHBondContact SG-CB 3.19Å; C437-C480 CovalentContact SG-SG 2.03Å; C437-C480 PolarHBondContact SG-SG 2.85Å; C437-Y488 HydrophobicContact CB-CD2 3.62Å; C437-Y488 HydrophobicContact CB-CE2 3.67Å
438	F	92.8	Very high	92	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.009	11%	0.107	C	C	.	.	H	α-helix	trans	-66.3	-40.7	175.4	-175.1	-97.7	0	0	0	112.1	F224 L419 Q434 L435 C436 Y441 Q442 L495 Y507 F512 L526	F224-F438 HydrophobicContact CD1-CD2 4.01Å; F224-F438 HydrophobicContact CD1-CE2 4.18Å; F224-F438 AromaticContact CE1-CD2 3.56Å; F224-F438 HydrophobicContact CE1-CD2 3.56Å; F224-F438 AromaticContact CE1-CE2 3.38Å; F224-F438 HydrophobicContact CE1-CE2 3.38Å; F224-F438 HydrophobicContact CE1-CZ 4.3Å; F224-F438 HydrophobicContact CE2-CD2 4.41Å; F224-F438 AromaticContact CZ-CD2 3.77Å; F224-F438 HydrophobicContact CZ-CD2 3.77Å; F224-F438 AromaticContact CZ-CE2 3.69Å; F224-F438 HydrophobicContact CZ-CE2 3.69Å; F224-F438 HydrophobicContact CZ-CG 4.41Å; F224-F438 HydrophobicContact CZ-CZ 4.28Å; L419-F438 HydrophobicContact CD1-CD1 3.36Å; L419-F438 HydrophobicContact CD1-CE1 3.7Å; Q434-F438 VanDerWaalsContact O-CB 3.24Å; Q434-F438 WeakPolarHBondContact O-CB 3.42Å; Q434-F438 PolarHBondContact O-N 3.22Å; L435-F438 PolarHBondContact O-N 3.37Å; C436-F438 VanDerWaalsContact C-N 3.32Å; C436-F438 PolarHBondContact O-N 2.96Å; F438-Y441 HydrophobicContact CD2-CD1 4.09Å; F438-Y441 HydrophobicContact CE2-CD1 4.08Å; F438-Y441 HydrophobicContact CE2-CE1 4.19Å; F438-Y441 PolarHBondContact O-N 2.67Å; F438-Q442 HydrophobicContact CD1-CG 4.4Å; F438-Q442 HydrophobicContact CE1-CG 3.94Å; F438-Q442 HydrophobicContact CZ-CG 4.17Å; F438-Q442 VanDerWaalsContact CZ-NE2 3.33Å; F438-Q442 WeakPolarHBondContact O-CG 3.33Å; F438-Q442 PolarHBondContact O-N 3.04Å; F438-L495 HydrophobicContact CD2-CD2 4.08Å; F438-L495 HydrophobicContact CE2-CD2 4.46Å; F438-Y507 AromaticContact CE2-CE1 3.98Å; F438-Y507 HydrophobicContact CE2-CE1 3.98Å; F438-Y507 AromaticContact CZ-CD1 3.85Å; F438-Y507 HydrophobicContact CZ-CD1 3.85Å; F438-Y507 AromaticContact CZ-CE1 3.59Å; F438-Y507 HydrophobicContact CZ-CE1 3.59Å; F438-Y507 HydrophobicContact CZ-CG 4.44Å; F438-Y507 AromaticContact CZ-CZ 3.96Å; F438-F512 HydrophobicContact CB-CE1 4.29Å; F438-F512 HydrophobicContact CB-CE2 4.37Å; F438-F512 HydrophobicContact CB-CZ 3.61Å; F438-F512 AromaticContact CD1-CE2 3.74Å; F438-F512 HydrophobicContact CD1-CE2 3.74Å; F438-F512 AromaticContact CD1-CZ 3.7Å; F438-F512 HydrophobicContact CD1-CZ 3.7Å; F438-F512 HydrophobicContact CD2-CZ 4.24Å; F438-F512 HydrophobicContact CE1-CE2 4.31Å; F438-F512 HydrophobicContact CE1-CZ 4.46Å; F438-F512 HydrophobicContact CG-CE2 4.12Å; F438-F512 AromaticContact CG-CZ 3.57Å; F438-F512 HydrophobicContact CG-CZ 3.57Å; F438-L526 HydrophobicContact CD1-CD1 4.2Å; F438-L526 HydrophobicContact CE1-CD1 3.38Å; F438-L526 HydrophobicContact CZ-CD1 3.87Å
439	Q	92.8	Very high	91.8	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.019	10%	0.104	C	C	.	.	H	α-helix	trans	-57.9	-50.4	171.1	177.4	166	-68.7	0	0	110.8	L419 T420 L435 C436 Y441 Q442 Q443	L419-Q439 HydrophobicContact CB-CB 4.41Å; L419-Q439 HydrophobicContact CB-CG 4.48Å; L419-Q439 HydrophobicContact CD1-CB 3.95Å; L419-Q439 HydrophobicContact CG-CB 4.14Å; L419-Q439 HydrophobicContact CG-CG 4.27Å; T420-Q439 PolarHBondContact O-OE1 2.91Å; L435-Q439 PolarHBondContact O-N 2.58Å; C436-Q439 PolarHBondContact O-N 3.47Å; Q439-Y441 VanDerWaalsContact C-N 3.3Å; Q439-Y441 PolarHBondContact O-N 2.96Å; Q439-Q442 PolarHBondContact O-N 2.9Å; Q439-Q442 VanDerWaalsContact O-N 3.09Å; Q439-Q443 WeakPolarHBondContact O-CG 3.39Å; Q439-Q443 PolarHBondContact O-N 3.31Å
440	R	92.2	Very high	91.6	Very high	23 Å²	23	18.5 Å²	18.5	9%	0.087	10%	0.104	C	C	.	.	H	α-helix	trans	-59.7	-40.4	178.7	-170	179	-170.3	166.8	-107.2	112.5	C436 C437 Q443 A444 F470 S473	C436-R440 WeakPolarHBondContact O-CB 3.28Å; C436-R440 PolarHBondContact O-N 3.1Å; C437-R440 PolarHBondContact O-N 2.76Å; R440-Q443 WeakPolarHBondContact O-CB 3.41Å; R440-Q443 PolarHBondContact O-N 2.75Å; R440-A444 WeakPolarHBondContact O-CB 3.42Å; R440-A444 PolarHBondContact O-N 3.42Å; R440-F470 HydrophobicContact CB-CD2 4.2Å; R440-F470 HydrophobicContact CB-CE2 4.37Å; R440-F470 HydrophobicContact CG-CD2 4.07Å; R440-F470 PolarHBondContact NE-O 2.73Å; R440-F470 PolarHBondContact NH2-O 2.91Å; R440-S473 PolarHBondContact NE-OG 3.45Å; R440-S473 PolarHBondContact NH1-OG 2.03Å; R440-S473 PolarHBondContact NH2-OG 2.93Å
441	Y	93.1	Very high	91.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.7	-43.6	174.1	154.4	-97.8	0	0	0	112	C437 F438 Q439 Q443 A444 R445 L495 L498 C499	C437-Y441 WeakPolarHBondContact O-CB 2.9Å; C437-Y441 PolarHBondContact O-N 3.22Å; F438-Y441 HydrophobicContact CD2-CD1 4.09Å; F438-Y441 HydrophobicContact CE2-CD1 4.08Å; F438-Y441 HydrophobicContact CE2-CE1 4.19Å; F438-Y441 PolarHBondContact O-N 2.67Å; Q439-Y441 VanDerWaalsContact C-N 3.3Å; Q439-Y441 PolarHBondContact O-N 2.96Å; Y441-Q443 VanDerWaalsContact C-N 3.31Å; Y441-Q443 PolarHBondContact O-N 3.19Å; Y441-A444 PolarHBondContact O-N 3.09Å; Y441-R445 WeakPolarHBondContact O-CB 2.9Å; Y441-R445 PolarHBondContact O-N 2.83Å; Y441-R445 WeakPolarHBondContact OH-CD 3.43Å; Y441-L495 HydrophobicContact CD1-CD2 3.87Å; Y441-L495 HydrophobicContact CD2-CB 3.82Å; Y441-L495 HydrophobicContact CD2-CD1 4.39Å; Y441-L495 HydrophobicContact CD2-CD2 4.29Å; Y441-L495 HydrophobicContact CD2-CG 4.39Å; Y441-L495 HydrophobicContact CE1-CD2 4.18Å; Y441-L495 HydrophobicContact CE2-CB 4.15Å; Y441-L495 WeakPolarHBondContact CE2-O 3.5Å; Y441-L495 HydrophobicContact CG-CB 4.22Å; Y441-L495 HydrophobicContact CG-CD1 4.03Å; Y441-L495 HydrophobicContact CG-CD2 3.94Å; Y441-L495 HydrophobicContact CG-CG 4.29Å; Y441-L498 HydrophobicContact CE2-CB 4.46Å; Y441-L498 WeakPolarHBondContact OH-CB 3.39Å; Y441-L498 PolarHBondContact OH-O 3.22Å; Y441-C499 HydrophobicContact CE2-CB 3.81Å
442	Q	92.3	Very high	91.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.6	-36.9	176.2	-69.7	-66.8	1.7	0	0	112	L417 F438 Q439 R445 Y446 Y507 L532 Y534	L417-Q442 HydrophobicContact CD2-CB 4.18Å; F438-Q442 HydrophobicContact CD1-CG 4.4Å; F438-Q442 HydrophobicContact CE1-CG 3.94Å; F438-Q442 HydrophobicContact CZ-CG 4.17Å; F438-Q442 VanDerWaalsContact CZ-NE2 3.33Å; F438-Q442 WeakPolarHBondContact O-CG 3.33Å; F438-Q442 PolarHBondContact O-N 3.04Å; Q439-Q442 PolarHBondContact O-N 2.9Å; Q439-Q442 VanDerWaalsContact O-N 3.09Å; Q442-R445 PolarHBondContact O-N 3.47Å; Q442-Y446 WeakPolarHBondContact O-CB 3.41Å; Q442-Y446 PolarHBondContact O-N 3.33Å; Q442-Y507 PolarHBondContact NE2-OH 2.03Å; Q442-Y507 VanDerWaalsContact NE2-OH 3.1Å; Q442-L532 HydrophobicContact CG-CD2 3.86Å; Q442-Y534 PolarHBondContact OE1-OH 3.5Å
443	Q	92.3	Very high	91	Very high	23 Å²	23	23.7 Å²	23.7	11%	0.107	12%	0.117	C	C	.	.	H	α-helix	trans	-62.7	-46.4	173.8	-67.4	171.6	-16.3	0	0	111.3	K415 L417 Q439 R440 Y441 Y446 A447	K415-Q443 HydrophobicContact CB-CG 4.5Å; K415-Q443 WeakPolarHBondContact O-CB 3.3Å; K415-Q443 VanDerWaalsContact O-CG 3.31Å; K415-Q443 WeakPolarHBondContact O-CG 3.14Å; L417-Q443 WeakPolarHBondContact O-CG 3.44Å; L417-Q443 PolarHBondContact O-NE2 3.15Å; Q439-Q443 WeakPolarHBondContact O-CG 3.39Å; Q439-Q443 PolarHBondContact O-N 3.31Å; R440-Q443 WeakPolarHBondContact O-CB 3.41Å; R440-Q443 PolarHBondContact O-N 2.75Å; Y441-Q443 VanDerWaalsContact C-N 3.31Å; Y441-Q443 PolarHBondContact O-N 3.19Å; Q443-Y446 PolarHBondContact O-N 2.95Å; Q443-A447 VanDerWaalsContact O-CB 3.27Å; Q443-A447 WeakPolarHBondContact O-CB 3.27Å; Q443-A447 PolarHBondContact O-N 2.97Å
444	A	92.3	Very high	90.8	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.033	12%	0.115	C	C	.	.	H	α-helix	trans	-60.4	-46	175.8	0	0	0	0	0	112	R440 Y441 A447 C448 L469 F470	R440-A444 WeakPolarHBondContact O-CB 3.42Å; R440-A444 PolarHBondContact O-N 3.42Å; Y441-A444 PolarHBondContact O-N 3.09Å; A444-A447 WeakPolarHBondContact O-CB 3.16Å; A444-A447 PolarHBondContact O-N 3.4Å; A444-C448 PolarHBondContact O-N 2.83Å; A444-C448 VanDerWaalsContact O-N 3.09Å; A444-C448 PolarHBondContact O-SG 3Å; A444-L469 HydrophobicContact CB-CB 3.62Å; A444-F470 HydrophobicContact CB-CB 3.92Å
445	R	91.3	Very high	90.3	Very high	13 Å²	13	22.2 Å²	22.2	5%	0.049	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-46	177.9	-172.3	177.2	173.3	-139.2	-7.8	111.7	Y441 Q442 C448 C449 F462 C499 M500 L503 Y534	Y441-R445 WeakPolarHBondContact O-CB 2.9Å; Y441-R445 PolarHBondContact O-N 2.83Å; Y441-R445 WeakPolarHBondContact OH-CD 3.43Å; Q442-R445 PolarHBondContact O-N 3.47Å; R445-C448 PolarHBondContact O-N 2.9Å; R445-C449 WeakPolarHBondContact O-CB 3.3Å; R445-C449 PolarHBondContact O-N 2.64Å; R445-F462 HydrophobicContact CG-CE1 4.48Å; R445-F462 HydrophobicContact CG-CZ 4.46Å; R445-C499 VanDerWaalsContact CB-SG 3.58Å; R445-M500 PolarHBondContact NE-O 3.05Å; R445-M500 PolarHBondContact NH2-O 3.28Å; R445-L503 PolarHBondContact NH2-O 3.08Å; R445-Y534 WeakPolarHBondContact CD-OH 3.46Å; R445-Y534 VanDerWaalsContact CG-OH 3.3Å; R445-Y534 WeakPolarHBondContact CG-OH 3.22Å
446	Y	90.9	Very high	89.5	Confident	1 Å²	1	24.9 Å²	24.9	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-61.2	-44.6	178.3	-173.1	-89.3	0	0	0	111.2	F380 W382 L417 Q442 Q443 C449 Y450 Y534	F380-Y446 HydrophobicContact CB-CE1 4Å; F380-Y446 WeakPolarHBondContact CB-OH 3.47Å; F380-Y446 HydrophobicContact CD2-CE2 4.18Å; F380-Y446 PolarHBondContact N-OH 3.38Å; F380-Y446 VanDerWaalsContact O-CE1 3.32Å; F380-Y446 WeakPolarHBondContact O-CE1 3.43Å; F380-Y446 PolarHBondContact O-OH 3.48Å; W382-Y446 HydrophobicContact CB-CD1 4.35Å; L417-Y446 HydrophobicContact CD1-CD2 4.5Å; Q442-Y446 WeakPolarHBondContact O-CB 3.41Å; Q442-Y446 PolarHBondContact O-N 3.33Å; Q443-Y446 PolarHBondContact O-N 2.95Å; Y446-C449 VanDerWaalsContact O-CB 3.3Å; Y446-C449 WeakPolarHBondContact O-CB 3.32Å; Y446-C449 PolarHBondContact O-N 3.28Å; Y446-Y450 HydrophobicContact CD1-CD2 4.2Å; Y446-Y450 HydrophobicContact CD2-CD2 4.12Å; Y446-Y450 AromaticContact CD2-CE2 3.81Å; Y446-Y450 HydrophobicContact CD2-CE2 3.81Å; Y446-Y450 AromaticContact CE1-CD2 3.88Å; Y446-Y450 HydrophobicContact CE1-CD2 3.88Å; Y446-Y450 HydrophobicContact CE1-CE2 4.14Å; Y446-Y450 AromaticContact CE2-CD2 3.81Å; Y446-Y450 HydrophobicContact CE2-CD2 3.81Å; Y446-Y450 AromaticContact CE2-CE2 3.26Å; Y446-Y450 HydrophobicContact CE2-CE2 3.26Å; Y446-Y450 HydrophobicContact CG-CD2 4.3Å; Y446-Y450 HydrophobicContact CG-CE2 4.44Å; Y446-Y450 AromaticContact CZ-CD2 3.66Å; Y446-Y450 AromaticContact CZ-CE2 3.43Å; Y446-Y450 VanDerWaalsContact CZ-CE2 3.43Å; Y446-Y450 WeakPolarHBondContact O-CD2 3.44Å; Y446-Y450 PolarHBondContact O-N 2.84Å; Y446-Y534 AromaticContact CD2-CD1 3.97Å; Y446-Y534 HydrophobicContact CD2-CD1 3.97Å; Y446-Y534 AromaticContact CD2-CD2 3.98Å; Y446-Y534 HydrophobicContact CD2-CD2 3.98Å; Y446-Y534 HydrophobicContact CD2-CE1 4.08Å; Y446-Y534 HydrophobicContact CD2-CE2 4.09Å; Y446-Y534 AromaticContact CD2-CG 3.92Å; Y446-Y534 HydrophobicContact CD2-CG 3.92Å; Y446-Y534 HydrophobicContact CE2-CD1 4.43Å; Y446-Y534 HydrophobicContact CE2-CD2 4.36Å; Y446-Y534 HydrophobicContact CE2-CG 4.12Å
447	A	90.7	Very high	88.4	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-54.7	-57.5	174.1	0	0	0	0	0	112.5	W382 Q443 A444 C449 Y450 D451 L469	W382-A447 HydrophobicContact CD2-CB 3.24Å; W382-A447 HydrophobicContact CE3-CB 3.76Å; W382-A447 HydrophobicContact CG-CB 3.58Å; W382-A447 HydrophobicContact CH2-CB 4.07Å; W382-A447 HydrophobicContact CZ2-CB 3.62Å; W382-A447 HydrophobicContact CZ3-CB 4.14Å; Q443-A447 VanDerWaalsContact O-CB 3.27Å; Q443-A447 WeakPolarHBondContact O-CB 3.27Å; Q443-A447 PolarHBondContact O-N 2.97Å; A444-A447 WeakPolarHBondContact O-CB 3.16Å; A444-A447 PolarHBondContact O-N 3.4Å; A447-C449 PolarHBondContact O-N 3.23Å; A447-Y450 PolarHBondContact O-N 3.45Å; A447-Y450 VanDerWaalsContact O-N 3.14Å; A447-D451 WeakPolarHBondContact O-CB 3.48Å; A447-D451 PolarHBondContact O-N 3.16Å; A447-L469 HydrophobicContact CB-CD1 3.4Å
448	C	91	Very high	87.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.2	-28.5	-179.7	-62	0	0	0	0	113.1	A444 R445 F462 C465 C466 R542	A444-C448 PolarHBondContact O-N 2.83Å; A444-C448 VanDerWaalsContact O-N 3.09Å; A444-C448 PolarHBondContact O-SG 3Å; R445-C448 PolarHBondContact O-N 2.9Å; C448-F462 HydrophobicContact CB-CD2 4.37Å; C448-F462 HydrophobicContact CB-CE2 3.89Å; C448-F462 HydrophobicContact CB-CZ 4.03Å; C448-F462 WeakPolarHBondContact O-CE2 3.42Å; C448-C465 HydrophobicContact CB-CB 3.9Å; C448-C465 WeakPolarHBondContact CB-SG 3.25Å; C448-C465 WeakPolarHBondContact SG-CB 3.44Å; C448-C465 CovalentContact SG-SG 2.03Å; C448-C465 PolarHBondContact SG-SG 3.29Å; C448-C466 PolarHBondContact SG-N 3.23Å; C448-R542 PolarHBondContact O-NH1 2.56Å
449	C	88.9	Confident	85.9	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.007	22%	0.221	C	C	.	.	H	α-helix	trans	-67.9	-35	178.6	177.9	0	0	0	0	112.8	R445 Y446 A447 F462 Y534 C536 P537	R445-C449 WeakPolarHBondContact O-CB 3.3Å; R445-C449 PolarHBondContact O-N 2.64Å; Y446-C449 VanDerWaalsContact O-CB 3.3Å; Y446-C449 WeakPolarHBondContact O-CB 3.32Å; Y446-C449 PolarHBondContact O-N 3.28Å; A447-C449 PolarHBondContact O-N 3.23Å; C449-F462 HydrophobicContact CB-CE2 4.49Å; C449-F462 HydrophobicContact CB-CZ 4.38Å; C449-Y534 HydrophobicContact CB-CE2 4.15Å; C449-Y534 VanDerWaalsContact SG-CE2 3.53Å; C449-C536 HydrophobicContact CB-CB 4.07Å; C449-C536 WeakPolarHBondContact CB-SG 3.45Å; C449-C536 WeakPolarHBondContact SG-CA 3.39Å; C449-C536 WeakPolarHBondContact SG-CB 3.44Å; C449-C536 CovalentContact SG-SG 2.02Å; C449-C536 PolarHBondContact SG-SG 3.2Å; C449-P537 WeakPolarHBondContact O-CD 3.41Å
450	Y	88.2	Confident	84.8	Confident	54 Å²	54	44.2 Å²	44.2	21%	0.212	22%	0.224	C	C	.	.	H	α-helix	trans	-106.1	-10.3	-176.6	-76.3	-89.9	0	0	0	114.7	Y446 A447 Y534 T535 P537 Y538	Y446-Y450 HydrophobicContact CD1-CD2 4.2Å; Y446-Y450 HydrophobicContact CD2-CD2 4.12Å; Y446-Y450 AromaticContact CD2-CE2 3.81Å; Y446-Y450 HydrophobicContact CD2-CE2 3.81Å; Y446-Y450 AromaticContact CE1-CD2 3.88Å; Y446-Y450 HydrophobicContact CE1-CD2 3.88Å; Y446-Y450 HydrophobicContact CE1-CE2 4.14Å; Y446-Y450 AromaticContact CE2-CD2 3.81Å; Y446-Y450 HydrophobicContact CE2-CD2 3.81Å; Y446-Y450 AromaticContact CE2-CE2 3.26Å; Y446-Y450 HydrophobicContact CE2-CE2 3.26Å; Y446-Y450 HydrophobicContact CG-CD2 4.3Å; Y446-Y450 HydrophobicContact CG-CE2 4.44Å; Y446-Y450 AromaticContact CZ-CD2 3.66Å; Y446-Y450 AromaticContact CZ-CE2 3.43Å; Y446-Y450 VanDerWaalsContact CZ-CE2 3.43Å; Y446-Y450 WeakPolarHBondContact O-CD2 3.44Å; Y446-Y450 PolarHBondContact O-N 2.84Å; A447-Y450 PolarHBondContact O-N 3.45Å; A447-Y450 VanDerWaalsContact O-N 3.14Å; Y450-Y534 HydrophobicContact CE2-CD2 4.16Å; Y450-T535 PolarHBondContact OH-O 2.9Å; Y450-P537 HydrophobicContact CD1-CG 3.75Å; Y450-P537 HydrophobicContact CE1-CG 3.98Å; Y450-P537 HydrophobicContact CG-CG 4.4Å; Y450-Y538 WeakPolarHBondContact O-CE2 3.47Å
451	D	88	Confident	84.3	Confident	45 Å²	45	43.6 Å²	43.6	24%	0.241	22%	0.222	C	C	.	.			trans	-76.7	119.8	168.7	-176.8	-5.9	0	0	0	109.4	A447 D453 V454 R542	A447-D451 WeakPolarHBondContact O-CB 3.48Å; A447-D451 PolarHBondContact O-N 3.16Å; D451-D453 WeakPolarHBondContact OD1-CA 3.44Å; D451-D453 VanDerWaalsContact OD1-CB 3.31Å; D451-D453 WeakPolarHBondContact OD1-CB 3.04Å; D451-D453 PolarHBondContact OD1-N 3.03Å; D451-V454 HydrophobicContact CB-CG2 3.99Å; D451-R542 PolarHBondContact O-NH1 2.91Å; D451-R542 PolarHBondContact O-NH2 3.07Å
452	D	86.4	Confident	84	Confident	67 Å²	67	43.8 Å²	43.8	36%	0.358	22%	0.223	S	C	.	.	S	Bend	trans	-80.7	-19.7	176	-159.5	19.4	0	0	0	111.5	V454 Y538 R541 R542	D452-V454 VanDerWaalsContact C-N 3.3Å; D452-V454 PolarHBondContact O-N 3.25Å; D452-Y538 HydrophobicContact CB-CD1 4.36Å; D452-Y538 HydrophobicContact CB-CD2 4.02Å; D452-Y538 HydrophobicContact CB-CE1 3.98Å; D452-Y538 HydrophobicContact CB-CE2 3.59Å; D452-Y538 HydrophobicContact CB-CG 4.38Å; D452-Y538 VanDerWaalsContact CG-CE1 3.49Å; D452-Y538 VanDerWaalsContact OD1-CD1 3.23Å; D452-Y538 WeakPolarHBondContact OD1-CD1 3.42Å; D452-Y538 WeakPolarHBondContact OD1-CE1 3.41Å; D452-R541 IonicContact OD1-NH1 2.61Å; D452-R541 PolarHBondContact OD1-NH1 3.15Å; D452-R541 IonicContact OD2-NH1 3.96Å; D452-R541 PolarHBondContact OD2-NH1 3.5Å; D452-R542 PolarHBondContact O-NH2 3.35Å
453	D	87.6	Confident	83.7	Confident	146 Å²	146	43.8 Å²	43.8	78%	0.781	22%	0.223	S	C	*	.			trans	-78.6	-14.3	-174.7	-63.1	-39.1	0	0	0	112.8	D451 P455	D451-D453 WeakPolarHBondContact OD1-CA 3.44Å; D451-D453 VanDerWaalsContact OD1-CB 3.31Å; D451-D453 WeakPolarHBondContact OD1-CB 3.04Å; D451-D453 PolarHBondContact OD1-N 3.03Å; D453-P455 VanDerWaalsContact O-CD 3.3Å; D453-P455 WeakPolarHBondContact O-CD 3.42Å
454	V	85.6	Confident	83.5	Confident	11 Å²	11	46 Å²	46	7%	0.067	23%	0.23	C	C	.	.	S	Bend	trans	-59	122.2	172.8	169.7	0	0	0	0	109	D451 D452 C465 R542	D451-V454 HydrophobicContact CB-CG2 3.99Å; D452-V454 VanDerWaalsContact C-N 3.3Å; D452-V454 PolarHBondContact O-N 3.25Å; V454-C465 HydrophobicContact CG1-CB 3.86Å; V454-C465 HydrophobicContact CG2-CB 3.93Å; V454-C465 WeakPolarHBondContact CG2-SG 3.34Å; V454-R542 VanDerWaalsContact CB-NH1 3.34Å; V454-R542 PolarHBondContact O-NE 2.6Å; V454-R542 VanDerWaalsContact O-NE 3.1Å; V454-R542 PolarHBondContact O-NH2 2.95Å; V454-R542 VanDerWaalsContact O-NH2 3.16Å
455	P	81.7	Confident	83.4	Confident	71 Å²	71	46.9 Å²	46.9	46%	0.461	24%	0.236	S	C	.	.			trans	-58.2	156.2	-175.1	-27.1	36.1	0	0	0	113.7	D453 D461	D453-P455 VanDerWaalsContact O-CD 3.3Å; D453-P455 WeakPolarHBondContact O-CD 3.42Å; P455-D461 HydrophobicContact CB-CB 4.28Å; P455-D461 VanDerWaalsContact CB-OD2 3.31Å; P455-D461 WeakPolarHBondContact CB-OD2 3.25Å; P455-D461 WeakPolarHBondContact O-CB 3.44Å
456	A	73.9	Confident	83.5	Confident	56 Å²	56	46.3 Å²	46.3	46%	0.463	23%	0.234	S	C	.	.			trans	-126	27.8	173.3	0	0	0	0	0	111.3	R541	A456-R541 WeakPolarHBondContact CB-O 3.45Å
457	K	71.4	Confident	83.5	Confident	202 Å²	202	47.4 Å²	47.4	88%	0.878	24%	0.238	S	C	*	.	S	Bend	trans	-87.3	-44.1	-177.2	-68.6	-177.3	-178	177.4	0	110.8	D461	K457-D461 PolarHBondContact N-OD2 3.1Å
458	R	67.5	Low	83.5	Confident	148 Å²	148	48.7 Å²	48.7	56%	0.558	25%	0.252	S	S	*	.	S	Bend	trans	-96.4	146.7	175.3	-52.6	-171	178.8	94.6	-4.1	110	D460 D461	R458-D460 WeakPolarHBondContact CB-OD1 3.4Å; R458-D460 PolarHBondContact O-N 3.03Å; R458-D460 VanDerWaalsContact O-N 3.16Å; R458-D461 WeakPolarHBondContact CB-OD1 3.14Å; R458-D461 PolarHBondContact N-OD2 3.49Å; R458-D461 IonicContact NH1-OD1 3.81Å; R458-D461 PolarHBondContact O-N 2.96Å
459	P	66.2	Low	83.5	Confident	46 Å²	46	51 Å²	51	30%	0.299	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	3.2	-179	36.6	-41.3	0	0	0	113.5	N544 F545 Y546	P459-N544 CarbonylContact O-C 3.51Å; P459-N544 VanDerWaalsContact O-CA 3.31Å; P459-N544 WeakPolarHBondContact O-CA 3.09Å; P459-N544 PolarHBondContact O-OD1 3.12Å; P459-F545 HydrophobicContact CB-CB 4.1Å; P459-F545 HydrophobicContact CB-CD2 3.9Å; P459-F545 PolarHBondContact O-N 3.02Å; P459-Y546 HydrophobicContact CB-CD2 3.51Å; P459-Y546 HydrophobicContact CB-CE2 3.8Å; P459-Y546 HydrophobicContact CG-CD2 3.2Å; P459-Y546 HydrophobicContact CG-CE2 3.38Å; P459-Y546 HydrophobicContact CG-CG 4.31Å; P459-Y546 PolarHBondContact O-N 2.8Å; P459-Y546 VanDerWaalsContact O-N 3.16Å
460	D	70.3	Confident	83.7	Confident	16 Å²	16	51 Å²	51	9%	0.086	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	5.3	171.5	63	-18.8	0	0	0	113.1	R458 F462 N463 R464 Y546	R458-D460 WeakPolarHBondContact CB-OD1 3.4Å; R458-D460 PolarHBondContact O-N 3.03Å; R458-D460 VanDerWaalsContact O-N 3.16Å; D460-F462 VanDerWaalsContact C-N 3.3Å; D460-F462 PolarHBondContact O-N 2.97Å; D460-N463 CarbonylContact O-C 3.57Å; D460-N463 WeakPolarHBondContact O-CA 3.28Å; D460-N463 WeakPolarHBondContact O-CB 3.45Å; D460-N463 PolarHBondContact O-N 2.62Å; D460-R464 VanDerWaalsContact CG-NE 3.34Å; D460-R464 PolarHBondContact O-N 3.2Å; D460-R464 IonicContact OD1-NE 2.99Å; D460-R464 PolarHBondContact OD1-NE 2.71Å; D460-R464 IonicContact OD2-CZ 2.81Å; D460-R464 IonicContact OD2-NE 2.98Å; D460-R464 PolarHBondContact OD2-NE 3.08Å; D460-R464 IonicContact OD2-NH2 3.95Å; D460-R464 PolarHBondContact OD2-NH2 3.35Å; D460-R464 VanDerWaalsContact OD2-NH2 3.11Å; D460-Y546 WeakPolarHBondContact CB-O 3.43Å
461	D	81.2	Confident	83.8	Confident	10 Å²	10	48.4 Å²	48.4	5%	0.053	25%	0.254	C	S	.	.	H	α-helix	trans	-57.4	-40.5	-172.3	-80.8	-28.1	0	0	0	112.7	P455 K457 R458 N463 R464 C465	P455-D461 HydrophobicContact CB-CB 4.28Å; P455-D461 VanDerWaalsContact CB-OD2 3.31Å; P455-D461 WeakPolarHBondContact CB-OD2 3.25Å; P455-D461 WeakPolarHBondContact O-CB 3.44Å; K457-D461 PolarHBondContact N-OD2 3.1Å; R458-D461 WeakPolarHBondContact CB-OD1 3.14Å; R458-D461 PolarHBondContact N-OD2 3.49Å; R458-D461 IonicContact NH1-OD1 3.81Å; R458-D461 PolarHBondContact O-N 2.96Å; D461-N463 VanDerWaalsContact C-N 3.35Å; D461-N463 PolarHBondContact O-N 2.87Å; D461-R464 PolarHBondContact O-N 3.01Å; D461-C465 PolarHBondContact O-N 3.28Å
462	F	85.6	Confident	83.6	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-41.6	175.2	-173.7	-84.1	0	0	0	111.7	R445 C448 C449 D460 R464 C465 C466 C499 P501 R542 N544	R445-F462 HydrophobicContact CG-CE1 4.48Å; R445-F462 HydrophobicContact CG-CZ 4.46Å; C448-F462 HydrophobicContact CB-CD2 4.37Å; C448-F462 HydrophobicContact CB-CE2 3.89Å; C448-F462 HydrophobicContact CB-CZ 4.03Å; C448-F462 WeakPolarHBondContact O-CE2 3.42Å; C449-F462 HydrophobicContact CB-CE2 4.49Å; C449-F462 HydrophobicContact CB-CZ 4.38Å; D460-F462 VanDerWaalsContact C-N 3.3Å; D460-F462 PolarHBondContact O-N 2.97Å; F462-R464 VanDerWaalsContact C-N 3.34Å; F462-C465 WeakPolarHBondContact O-CB 3.45Å; F462-C465 PolarHBondContact O-N 3.39Å; F462-C466 VanDerWaalsContact CE1-SG 3.58Å; F462-C466 PolarHBondContact O-N 2.95Å; F462-C466 VanDerWaalsContact O-N 3.08Å; F462-C466 PolarHBondContact O-SG 3.42Å; F462-C499 WeakPolarHBondContact CD1-O 3.37Å; F462-P501 HydrophobicContact CD1-CB 4.5Å; F462-P501 HydrophobicContact CD1-CG 4.47Å; F462-P501 HydrophobicContact CD2-CB 3.89Å; F462-P501 HydrophobicContact CD2-CG 4.29Å; F462-P501 HydrophobicContact CE1-CB 4.46Å; F462-P501 HydrophobicContact CE2-CB 3.85Å; F462-P501 HydrophobicContact CG-CB 4.22Å; F462-P501 HydrophobicContact CG-CG 4.19Å; F462-P501 HydrophobicContact CZ-CB 4.16Å; F462-R542 HydrophobicContact CD2-CG 4.46Å; F462-N544 HydrophobicContact CB-CB 4.28Å
463	N	86.8	Confident	83.3	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67.9	-36.7	178.3	-152	-110.1	0	0	0	111.3	D460 D461 C466 Y467 W489 A496 C499 N544 Y548	D460-N463 CarbonylContact O-C 3.57Å; D460-N463 WeakPolarHBondContact O-CA 3.28Å; D460-N463 WeakPolarHBondContact O-CB 3.45Å; D460-N463 PolarHBondContact O-N 2.62Å; D461-N463 VanDerWaalsContact C-N 3.35Å; D461-N463 PolarHBondContact O-N 2.87Å; N463-C466 WeakPolarHBondContact O-CB 3.42Å; N463-C466 PolarHBondContact O-N 3.01Å; N463-Y467 PolarHBondContact O-N 2.95Å; N463-W489 WeakPolarHBondContact O-CZ2 3.42Å; N463-W489 WeakPolarHBondContact OD1-CZ2 3.27Å; N463-A496 PolarHBondContact ND2-O 3.09Å; N463-C499 PolarHBondContact ND2-O 3.17Å; N463-N544 PolarHBondContact N-ND2 3.28Å; N463-Y548 WeakPolarHBondContact OD1-CB 3.35Å; N463-Y548 PolarHBondContact OD1-N 3.38Å
464	R	87.5	Confident	82.9	Confident	69 Å²	69	46.5 Å²	46.5	26%	0.26	25%	0.245	S	C	.	.	H	α-helix	trans	-62.2	-44	172.4	-75.4	-177.4	-178.6	-95.9	-5	111.9	D460 D461 F462 C466 Y467 G468 Y548 D553	D460-R464 VanDerWaalsContact CG-NE 3.34Å; D460-R464 PolarHBondContact O-N 3.2Å; D460-R464 IonicContact OD1-NE 2.99Å; D460-R464 PolarHBondContact OD1-NE 2.71Å; D460-R464 IonicContact OD2-CZ 2.81Å; D460-R464 IonicContact OD2-NE 2.98Å; D460-R464 PolarHBondContact OD2-NE 3.08Å; D460-R464 IonicContact OD2-NH2 3.95Å; D460-R464 PolarHBondContact OD2-NH2 3.35Å; D460-R464 VanDerWaalsContact OD2-NH2 3.11Å; D461-R464 PolarHBondContact O-N 3.01Å; F462-R464 VanDerWaalsContact C-N 3.34Å; R464-C466 VanDerWaalsContact C-N 3.32Å; R464-C466 PolarHBondContact O-N 3.36Å; R464-Y467 PolarHBondContact O-N 3.36Å; R464-G468 PolarHBondContact O-N 2.99Å; R464-Y548 HydrophobicContact CB-CD1 4.48Å; R464-Y548 HydrophobicContact CB-CG 4.41Å; R464-Y548 HydrophobicContact CG-CD1 3.87Å; R464-Y548 HydrophobicContact CG-CD2 3.61Å; R464-Y548 HydrophobicContact CG-CE1 4.38Å; R464-Y548 HydrophobicContact CG-CE2 4.2Å; R464-Y548 HydrophobicContact CG-CG 3.42Å; R464-Y548 VanDerWaalsContact CG-CG 3.42Å; R464-D553 IonicContact CZ-OD2 3.8Å; R464-D553 IonicContact NH1-OD1 2.78Å; R464-D553 IonicContact NH1-OD2 3.22Å; R464-D553 PolarHBondContact NH1-OD2 3.25Å; R464-D553 IonicContact NH2-OD1 3.94Å; R464-D553 IonicContact NH2-OD2 3.91Å
465	C	90.7	Very high	82.8	Confident	24 Å²	24	51.5 Å²	51.5	16%	0.162	28%	0.278	C	S	.	.	H	α-helix	trans	-56.4	-49.3	173.3	175.5	0	0	0	0	110.9	C448 V454 D461 F462 Y467 G468 L469	C448-C465 HydrophobicContact CB-CB 3.9Å; C448-C465 WeakPolarHBondContact CB-SG 3.25Å; C448-C465 WeakPolarHBondContact SG-CB 3.44Å; C448-C465 CovalentContact SG-SG 2.03Å; C448-C465 PolarHBondContact SG-SG 3.29Å; V454-C465 HydrophobicContact CG1-CB 3.86Å; V454-C465 HydrophobicContact CG2-CB 3.93Å; V454-C465 WeakPolarHBondContact CG2-SG 3.34Å; D461-C465 PolarHBondContact O-N 3.28Å; F462-C465 WeakPolarHBondContact O-CB 3.45Å; F462-C465 PolarHBondContact O-N 3.39Å; C465-Y467 VanDerWaalsContact C-N 3.34Å; C465-Y467 PolarHBondContact O-N 3.1Å; C465-G468 PolarHBondContact O-N 3.1Å; C465-L469 PolarHBondContact O-N 3.46Å
466	C	92.7	Very high	82.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.8	-45.4	177.6	-73	0	0	0	0	112.4	C448 F462 N463 R464 G468 L469 F470 W489 C499	C448-C466 PolarHBondContact SG-N 3.23Å; F462-C466 VanDerWaalsContact CE1-SG 3.58Å; F462-C466 PolarHBondContact O-N 2.95Å; F462-C466 VanDerWaalsContact O-N 3.08Å; F462-C466 PolarHBondContact O-SG 3.42Å; N463-C466 WeakPolarHBondContact O-CB 3.42Å; N463-C466 PolarHBondContact O-N 3.01Å; R464-C466 VanDerWaalsContact C-N 3.32Å; R464-C466 PolarHBondContact O-N 3.36Å; C466-G468 VanDerWaalsContact C-N 3.34Å; C466-G468 PolarHBondContact O-N 2.97Å; C466-L469 PolarHBondContact O-N 3.41Å; C466-F470 WeakPolarHBondContact O-CB 3.09Å; C466-F470 PolarHBondContact O-N 3.26Å; C466-W489 HydrophobicContact CB-CH2 3.53Å; C466-W489 HydrophobicContact CB-CZ3 4.02Å; C466-C499 HydrophobicContact CB-CB 3.62Å; C466-C499 WeakPolarHBondContact CB-SG 3.42Å; C466-C499 WeakPolarHBondContact SG-CB 3.42Å; C466-C499 CovalentContact SG-SG 2.03Å; C466-C499 PolarHBondContact SG-SG 3.15Å
467	Y	91.4	Very high	83.6	Confident	24 Å²	24	51.6 Å²	51.6	9%	0.094	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-43.4	177	178.1	-93.2	0	0	0	112.1	N463 R464 C465 F470 V471 S472 W489 Y548 P550	N463-Y467 PolarHBondContact O-N 2.95Å; R464-Y467 PolarHBondContact O-N 3.36Å; C465-Y467 VanDerWaalsContact C-N 3.34Å; C465-Y467 PolarHBondContact O-N 3.1Å; Y467-F470 PolarHBondContact O-N 3.15Å; Y467-V471 HydrophobicContact CD2-CB 3.88Å; Y467-V471 HydrophobicContact CD2-CG2 3.56Å; Y467-V471 HydrophobicContact CE1-CB 4.34Å; Y467-V471 HydrophobicContact CE2-CB 3.64Å; Y467-V471 HydrophobicContact CE2-CG1 3.78Å; Y467-V471 HydrophobicContact CE2-CG2 3.56Å; Y467-V471 HydrophobicContact CG-CB 4.37Å; Y467-V471 HydrophobicContact CG-CG2 4.36Å; Y467-V471 WeakPolarHBondContact O-CA 3.49Å; Y467-V471 WeakPolarHBondContact O-CB 3.33Å; Y467-V471 PolarHBondContact O-N 2.99Å; Y467-S472 WeakPolarHBondContact CE1-OG 3.48Å; Y467-S472 PolarHBondContact O-N 3.47Å; Y467-W489 AromaticContact CD2-CD1 3.44Å; Y467-W489 VanDerWaalsContact CD2-CD1 3.44Å; Y467-W489 AromaticContact CD2-CD2 3.8Å; Y467-W489 HydrophobicContact CD2-CD2 3.8Å; Y467-W489 AromaticContact CD2-CE2 3.6Å; Y467-W489 AromaticContact CD2-CG 3.67Å; Y467-W489 HydrophobicContact CD2-CG 3.67Å; Y467-W489 HydrophobicContact CD2-CZ2 4.3Å; Y467-W489 AromaticContact CD2-NE1 3.39Å; Y467-W489 AromaticContact CE2-CD1 3.78Å; Y467-W489 HydrophobicContact CE2-CG 4.1Å; Y467-W489 HydrophobicContact CG-CZ2 4.49Å; Y467-Y548 HydrophobicContact CD1-CD1 4.04Å; Y467-Y548 AromaticContact CD1-CE1 3.44Å; Y467-Y548 HydrophobicContact CD1-CE1 3.44Å; Y467-Y548 VanDerWaalsContact CD1-CE1 3.44Å; Y467-Y548 HydrophobicContact CD2-CD1 4.26Å; Y467-Y548 HydrophobicContact CD2-CE1 4.21Å; Y467-Y548 AromaticContact CE1-CE1 3.89Å; Y467-Y548 HydrophobicContact CE1-CE1 3.89Å; Y467-Y548 AromaticContact CG-CD1 3.7Å; Y467-Y548 HydrophobicContact CG-CD1 3.7Å; Y467-Y548 AromaticContact CG-CE1 3.58Å; Y467-Y548 HydrophobicContact CG-CE1 3.58Å; Y467-P550 HydrophobicContact CD2-CG 4.44Å; Y467-P550 HydrophobicContact CE1-CB 4.31Å; Y467-P550 HydrophobicContact CE2-CB 4.02Å; Y467-P550 HydrophobicContact CE2-CG 3.61Å
468	G	91.2	Very high	84.5	Confident	28 Å²	28	45.8 Å²	45.8	29%	0.289	25%	0.246	S	C	.	.	H	α-helix	trans	-56.1	-52.4	177.8	0	0	0	0	0	111.1	R464 C465 C466 S472 S473	R464-G468 PolarHBondContact O-N 2.99Å; C465-G468 PolarHBondContact O-N 3.1Å; C466-G468 VanDerWaalsContact C-N 3.34Å; C466-G468 PolarHBondContact O-N 2.97Å; G468-S472 CarbonylContact O-C 3.54Å; G468-S472 VanDerWaalsContact O-CA 3.25Å; G468-S472 WeakPolarHBondContact O-CA 3.41Å; G468-S472 WeakPolarHBondContact O-CB 3.46Å; G468-S472 PolarHBondContact O-N 2.69Å; G468-S472 VanDerWaalsContact O-N 3.08Å; G468-S473 PolarHBondContact O-N 3.43Å
469	L	91.3	Very high	85.7	Confident	50 Å²	50	38.7 Å²	38.7	26%	0.262	22%	0.22	S	C	.	.	H	α-helix	trans	-73.6	-33.7	-178.3	-64.6	-177	0	0	0	113.9	W382 A444 A447 C465 C466 S473	W382-L469 HydrophobicContact CH2-CD1 4.07Å; W382-L469 HydrophobicContact CH2-CD2 4.26Å; W382-L469 HydrophobicContact CZ2-CD1 3.82Å; W382-L469 HydrophobicContact CZ2-CD2 3.99Å; A444-L469 HydrophobicContact CB-CB 3.62Å; A447-L469 HydrophobicContact CB-CD1 3.4Å; C465-L469 PolarHBondContact O-N 3.46Å; C466-L469 PolarHBondContact O-N 3.41Å; L469-S473 WeakPolarHBondContact O-CB 3.48Å; L469-S473 PolarHBondContact O-OG 3.36Å
470	F	92.9	Very high	87	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-81.2	-54.1	179.9	175.7	-123.9	0	0	0	113.3	C437 R440 A444 C466 Y467 A485 W489 L495	C437-F470 HydrophobicContact CB-CE2 4.06Å; C437-F470 HydrophobicContact CB-CZ 4.21Å; C437-F470 VanDerWaalsContact O-CE2 3.25Å; C437-F470 WeakPolarHBondContact O-CE2 3.31Å; R440-F470 HydrophobicContact CB-CD2 4.2Å; R440-F470 HydrophobicContact CB-CE2 4.37Å; R440-F470 HydrophobicContact CG-CD2 4.07Å; R440-F470 PolarHBondContact NE-O 2.73Å; R440-F470 PolarHBondContact NH2-O 2.91Å; A444-F470 HydrophobicContact CB-CB 3.92Å; C466-F470 WeakPolarHBondContact O-CB 3.09Å; C466-F470 PolarHBondContact O-N 3.26Å; Y467-F470 PolarHBondContact O-N 3.15Å; F470-A485 HydrophobicContact CD1-CB 4.47Å; F470-A485 HydrophobicContact CE1-CB 4Å; F470-A485 VanDerWaalsContact CE1-O 3.25Å; F470-A485 WeakPolarHBondContact CE1-O 3.13Å; F470-A485 HydrophobicContact CE2-CB 4.12Å; F470-A485 HydrophobicContact CZ-CB 3.81Å; F470-W489 HydrophobicContact CD1-CB 4.47Å; F470-W489 HydrophobicContact CD1-CD2 4.46Å; F470-W489 AromaticContact CD1-CE3 3.6Å; F470-W489 HydrophobicContact CD1-CE3 3.6Å; F470-W489 HydrophobicContact CD1-CZ3 4.24Å; F470-W489 HydrophobicContact CE1-CB 4.25Å; F470-W489 HydrophobicContact CE1-CE3 4.15Å; F470-L495 HydrophobicContact CE1-CD1 3.92Å; F470-L495 HydrophobicContact CE2-CD1 4.29Å; F470-L495 HydrophobicContact CZ-CD1 3.59Å
471	V	90.4	Very high	88.1	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-41.3	-172.2	-175	0	0	0	0	111.7	Y467 S473 K482 A485 K486 W489	Y467-V471 HydrophobicContact CD2-CB 3.88Å; Y467-V471 HydrophobicContact CD2-CG2 3.56Å; Y467-V471 HydrophobicContact CE1-CB 4.34Å; Y467-V471 HydrophobicContact CE2-CB 3.64Å; Y467-V471 HydrophobicContact CE2-CG1 3.78Å; Y467-V471 HydrophobicContact CE2-CG2 3.56Å; Y467-V471 HydrophobicContact CG-CB 4.37Å; Y467-V471 HydrophobicContact CG-CG2 4.36Å; Y467-V471 WeakPolarHBondContact O-CA 3.49Å; Y467-V471 WeakPolarHBondContact O-CB 3.33Å; Y467-V471 PolarHBondContact O-N 2.99Å; V471-S473 VanDerWaalsContact C-N 3.3Å; V471-S473 PolarHBondContact O-N 3.18Å; V471-K482 HydrophobicContact CG1-CG 4.29Å; V471-K482 WeakPolarHBondContact O-CG 3.45Å; V471-A485 HydrophobicContact CG2-CB 4.26Å; V471-K486 HydrophobicContact CG1-CB 3.82Å; V471-K486 HydrophobicContact CG1-CG 4.42Å; V471-W489 HydrophobicContact CG2-CB 3.83Å; V471-W489 HydrophobicContact CG2-CD2 4.44Å; V471-W489 HydrophobicContact CG2-CG 4.13Å
472	S	83.6	Confident	88.6	Confident	50 Å²	50	40.6 Å²	40.6	35%	0.35	23%	0.225	S	C	.	.	S	Bend	trans	-97.7	23.1	-174.7	-49.1	0	0	0	0	113.3	Y467 G468 E474	Y467-S472 WeakPolarHBondContact CE1-OG 3.48Å; Y467-S472 PolarHBondContact O-N 3.47Å; G468-S472 CarbonylContact O-C 3.54Å; G468-S472 VanDerWaalsContact O-CA 3.25Å; G468-S472 WeakPolarHBondContact O-CA 3.41Å; G468-S472 WeakPolarHBondContact O-CB 3.46Å; G468-S472 PolarHBondContact O-N 2.69Å; G468-S472 VanDerWaalsContact O-N 3.08Å; S472-E474 PolarHBondContact O-N 3.23Å
473	S	79.7	Confident	88.8	Confident	30 Å²	30	44.2 Å²	44.2	21%	0.21	25%	0.251	C	S	.	.			trans	-40.8	111.4	161.5	93.8	0	0	0	0	116.8	R440 G468 L469 V471 P475	R440-S473 PolarHBondContact NE-OG 3.45Å; R440-S473 PolarHBondContact NH1-OG 2.03Å; R440-S473 PolarHBondContact NH2-OG 2.93Å; G468-S473 PolarHBondContact O-N 3.43Å; L469-S473 WeakPolarHBondContact O-CB 3.48Å; L469-S473 PolarHBondContact O-OG 3.36Å; V471-S473 VanDerWaalsContact C-N 3.3Å; V471-S473 PolarHBondContact O-N 3.18Å; S473-P475 CarbonylContact O-C 3.58Å
474	E	80	Confident	89	Confident	138 Å²	138	46.2 Å²	46.2	65%	0.645	26%	0.261	S	S	*	.	S	Bend	trans	-115.9	133	163.9	-62.8	-60.1	157.4	0	0	110.5	S472 K482	S472-E474 PolarHBondContact O-N 3.23Å; E474-K482 IonicContact OE1-NZ 3.76Å
475	P	83	Confident	89.1	Confident	115 Å²	115	42.9 Å²	42.9	75%	0.747	25%	0.248	S	C	*	.	S	Bend	cis	-67.7	158.3	-6.5	30.4	-34.9	0	0	0	112.4	S473 D477	S473-P475 CarbonylContact O-C 3.58Å; P475-D477 PolarHBondContact O-N 2.89Å
476	E	84.6	Confident	89	Confident	99 Å²	99	44.4 Å²	44.4	46%	0.463	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-56.6	135.5	176.5	-175.3	174.2	-164.4	0	0	111.2	P478 P481 K482	E476-P478 WeakPolarHBondContact O-CD 3.32Å; E476-P481 WeakPolarHBondContact OE1-CA 3.33Å; E476-P481 WeakPolarHBondContact OE1-CB 3.27Å; E476-K482 HydrophobicContact CG-CB 4.45Å; E476-K482 PolarHBondContact OE1-N 3.5Å
477	D	88.5	Confident	88.7	Confident	31 Å²	31	46 Å²	46	17%	0.166	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-80	116.8	175.6	176.1	-5.8	0	0	0	109.7	P475 C479 C480 P481	P475-D477 PolarHBondContact O-N 2.89Å; D477-C479 PolarHBondContact O-N 3.36Å; D477-C479 VanDerWaalsContact O-N 3.17Å; D477-C479 WeakPolarHBondContact OD1-CA 3.26Å; D477-C479 VanDerWaalsContact OD1-CB 3.28Å; D477-C479 WeakPolarHBondContact OD1-CB 3.22Å; D477-C479 PolarHBondContact OD1-N 3.1Å; D477-C480 HydrophobicContact CB-CB 4.41Å; D477-C480 CarbonylContact O-C 3.48Å; D477-C480 PolarHBondContact O-N 2.9Å; D477-C480 PolarHBondContact OD1-N 2.99Å; D477-P481 VanDerWaalsContact O-N 3.17Å
478	P	89.7	Confident	88.5	Confident	79 Å²	79	45.5 Å²	45.5	51%	0.513	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.3	-179.1	26.9	-34.7	0	0	0	113.2	P425 E476	P425-P478 HydrophobicContact CB-CG 3.82Å; P425-P478 HydrophobicContact CG-CG 3.68Å; E476-P478 WeakPolarHBondContact O-CD 3.32Å
479	C	92.8	Very high	88.2	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-16.5	177.3	-51	0	0	0	0	112.8	T424 C428 N433 C436 D477	T424-C479 VanDerWaalsContact C-SG 3.59Å; C428-C479 HydrophobicContact CB-CB 3.61Å; C428-C479 WeakPolarHBondContact CB-SG 3.48Å; C428-C479 WeakPolarHBondContact SG-CA 3.49Å; C428-C479 WeakPolarHBondContact SG-CB 3.42Å; C428-C479 CovalentContact SG-SG 2.03Å; C428-C479 PolarHBondContact SG-SG 3.43Å; N433-C479 PolarHBondContact OD1-O 3.46Å; C436-C479 HydrophobicContact CB-CB 3.79Å; D477-C479 PolarHBondContact O-N 3.36Å; D477-C479 VanDerWaalsContact O-N 3.17Å; D477-C479 WeakPolarHBondContact OD1-CA 3.26Å; D477-C479 VanDerWaalsContact OD1-CB 3.28Å; D477-C479 WeakPolarHBondContact OD1-CB 3.22Å; D477-C479 PolarHBondContact OD1-N 3.1Å
480	C	93.7	Very high	87.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-138.2	76.1	170.7	-173.5	0	0	0	0	110.9	C437 D477	C437-C480 WeakPolarHBondContact CA-SG 3.41Å; C437-C480 HydrophobicContact CB-CB 3.98Å; C437-C480 WeakPolarHBondContact CB-SG 3.2Å; C437-C480 WeakPolarHBondContact SG-CA 3.41Å; C437-C480 WeakPolarHBondContact SG-CB 3.19Å; C437-C480 CovalentContact SG-SG 2.03Å; C437-C480 PolarHBondContact SG-SG 2.85Å; D477-C480 HydrophobicContact CB-CB 4.41Å; D477-C480 CarbonylContact O-C 3.48Å; D477-C480 PolarHBondContact O-N 2.9Å; D477-C480 PolarHBondContact OD1-N 2.99Å
481	P	92.8	Very high	86.3	Confident	27 Å²	27	47.7 Å²	47.7	18%	0.175	26%	0.261	C	S	.	.			trans	-58	147.4	-178.7	-26.4	35.7	0	0	0	112.1	E476 D477 S483 I484 A485	E476-P481 WeakPolarHBondContact OE1-CA 3.33Å; E476-P481 WeakPolarHBondContact OE1-CB 3.27Å; D477-P481 VanDerWaalsContact O-N 3.17Å; P481-S483 PolarHBondContact O-N 3.29Å; P481-I484 HydrophobicContact CB-CD1 4.07Å; P481-I484 HydrophobicContact CG-CD1 3.82Å; P481-I484 CarbonylContact O-C 3.56Å; P481-I484 WeakPolarHBondContact O-CA 3.46Å; P481-I484 WeakPolarHBondContact O-CB 3.35Å; P481-I484 PolarHBondContact O-N 3.5Å; P481-A485 PolarHBondContact O-N 2.81Å
482	K	91.4	Very high	84.5	Confident	85 Å²	85	49.9 Å²	49.9	37%	0.37	27%	0.271	S	S	.	.	H	α-helix	trans	-55.2	-38.7	-176.4	-178.9	166.6	-172.7	173.5	0	112.6	V471 E474 E476 I484 A485 K486	V471-K482 HydrophobicContact CG1-CG 4.29Å; V471-K482 WeakPolarHBondContact O-CG 3.45Å; E474-K482 IonicContact OE1-NZ 3.76Å; E476-K482 HydrophobicContact CG-CB 4.45Å; E476-K482 PolarHBondContact OE1-N 3.5Å; K482-I484 VanDerWaalsContact C-N 3.31Å; K482-I484 PolarHBondContact O-N 3.24Å; K482-A485 PolarHBondContact O-N 3.43Å; K482-K486 WeakPolarHBondContact O-CB 2.99Å; K482-K486 PolarHBondContact O-N 3.34Å
483	S	89.3	Confident	83.2	Confident	80 Å²	80	48 Å²	48	56%	0.559	26%	0.257	S	S	*	.	H	α-helix	trans	-61.4	-38.7	176.1	59	0	0	0	0	112.6	P481 T487	P481-S483 PolarHBondContact O-N 3.29Å; S483-T487 WeakPolarHBondContact O-CB 3.47Å; S483-T487 PolarHBondContact O-N 3.45Å; S483-T487 VanDerWaalsContact O-N 3.15Å; S483-T487 PolarHBondContact O-OG1 3.05Å
484	I	91.2	Very high	82.8	Confident	41 Å²	41	47.3 Å²	47.3	21%	0.21	25%	0.25	C	C	.	.	H	α-helix	trans	-79.1	-43.4	178.8	-67.3	156.3	0	0	0	110.6	N433 P481 K482 K486 T487 Y488	N433-I484 HydrophobicContact CB-CG2 4.28Å; N433-I484 WeakPolarHBondContact ND2-CD1 3.15Å; P481-I484 HydrophobicContact CB-CD1 4.07Å; P481-I484 HydrophobicContact CG-CD1 3.82Å; P481-I484 CarbonylContact O-C 3.56Å; P481-I484 WeakPolarHBondContact O-CA 3.46Å; P481-I484 WeakPolarHBondContact O-CB 3.35Å; P481-I484 PolarHBondContact O-N 3.5Å; K482-I484 VanDerWaalsContact C-N 3.31Å; K482-I484 PolarHBondContact O-N 3.24Å; I484-K486 VanDerWaalsContact C-N 3.34Å; I484-K486 PolarHBondContact O-N 3.28Å; I484-T487 WeakPolarHBondContact O-CA 3.29Å; I484-T487 VanDerWaalsContact O-CB 3.28Å; I484-T487 WeakPolarHBondContact O-CB 3.02Å; I484-T487 PolarHBondContact O-N 3.04Å; I484-T487 VanDerWaalsContact O-N 3.08Å; I484-Y488 HydrophobicContact CG2-CD2 3.77Å; I484-Y488 HydrophobicContact CG2-CE2 3.31Å; I484-Y488 WeakPolarHBondContact O-CD2 3.06Å; I484-Y488 PolarHBondContact O-N 3.12Å
485	A	91.2	Very high	82.9	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.9	-48.5	174.4	0	0	0	0	0	111	F470 V471 P481 K482 T487 Y488 W489	F470-A485 HydrophobicContact CD1-CB 4.47Å; F470-A485 HydrophobicContact CE1-CB 4Å; F470-A485 VanDerWaalsContact CE1-O 3.25Å; F470-A485 WeakPolarHBondContact CE1-O 3.13Å; F470-A485 HydrophobicContact CE2-CB 4.12Å; F470-A485 HydrophobicContact CZ-CB 3.81Å; V471-A485 HydrophobicContact CG2-CB 4.26Å; P481-A485 PolarHBondContact O-N 2.81Å; K482-A485 PolarHBondContact O-N 3.43Å; A485-T487 VanDerWaalsContact C-N 3.26Å; A485-T487 PolarHBondContact O-N 3.11Å; A485-Y488 PolarHBondContact O-N 3.48Å; A485-Y488 VanDerWaalsContact O-N 3.16Å; A485-W489 WeakPolarHBondContact O-CB 3.17Å; A485-W489 PolarHBondContact O-N 3.41Å
486	K	88.1	Confident	82.7	Confident	55 Å²	55	35.5 Å²	35.5	24%	0.239	19%	0.185	C	C	.	.	H	α-helix	trans	-57	-42.2	174.3	-171.7	172.3	-176.5	178.3	0	111.1	V471 K482 I484 W489 T490 Y556	V471-K486 HydrophobicContact CG1-CB 3.82Å; V471-K486 HydrophobicContact CG1-CG 4.42Å; K482-K486 WeakPolarHBondContact O-CB 2.99Å; K482-K486 PolarHBondContact O-N 3.34Å; I484-K486 VanDerWaalsContact C-N 3.34Å; I484-K486 PolarHBondContact O-N 3.28Å; K486-W489 PolarHBondContact O-N 3.22Å; K486-T490 HydrophobicContact CG-CG2 4.35Å; K486-T490 WeakPolarHBondContact O-CG2 3.39Å; K486-T490 PolarHBondContact O-N 2.85Å; K486-T490 PolarHBondContact O-OG1 3.38Å; K486-Y556 VanDerWaalsContact CE-CE2 3.43Å; K486-Y556 VanDerWaalsContact CE-CZ 3.46Å; K486-Y556 WeakPolarHBondContact CE-OH 3.38Å; K486-Y556 PolarHBondContact NZ-OH 3.33Å; K486-Y556 VanDerWaalsContact NZ-OH 3.08Å
487	T	85.2	Confident	82.3	Confident	35 Å²	35	32 Å²	32	22%	0.215	17%	0.169	C	C	.	.	H	α-helix	trans	-61.4	-46.5	176.3	-63.5	0	0	0	0	112.2	S483 I484 A485 W489 T490 R491	S483-T487 WeakPolarHBondContact O-CB 3.47Å; S483-T487 PolarHBondContact O-N 3.45Å; S483-T487 VanDerWaalsContact O-N 3.15Å; S483-T487 PolarHBondContact O-OG1 3.05Å; I484-T487 WeakPolarHBondContact O-CA 3.29Å; I484-T487 VanDerWaalsContact O-CB 3.28Å; I484-T487 WeakPolarHBondContact O-CB 3.02Å; I484-T487 PolarHBondContact O-N 3.04Å; I484-T487 VanDerWaalsContact O-N 3.08Å; A485-T487 VanDerWaalsContact C-N 3.26Å; A485-T487 PolarHBondContact O-N 3.11Å; T487-W489 VanDerWaalsContact C-N 3.25Å; T487-W489 PolarHBondContact O-N 2.04Å; T487-T490 PolarHBondContact O-N 2.96Å; T487-R491 HydrophobicContact CG2-CG 3.84Å; T487-R491 VanDerWaalsContact O-CB 3.24Å; T487-R491 WeakPolarHBondContact O-CB 3.41Å; T487-R491 VanDerWaalsContact O-CG 3.32Å; T487-R491 WeakPolarHBondContact O-CG 3.44Å; T487-R491 PolarHBondContact O-N 3.39Å
488	Y	87.4	Confident	82	Confident	13 Å²	13	32.2 Å²	32.2	5%	0.051	17%	0.17	C	C	.	.	H	α-helix	trans	-68.5	-25.1	175.7	-68	-46.6	0	0	0	113.4	V221 Q434 C437 I484 A485 R494 L495	V221-Y488 HydrophobicContact CG1-CE1 3.86Å; Q434-Y488 WeakPolarHBondContact CG-OH 3.24Å; C437-Y488 HydrophobicContact CB-CD2 3.62Å; C437-Y488 HydrophobicContact CB-CE2 3.67Å; I484-Y488 HydrophobicContact CG2-CD2 3.77Å; I484-Y488 HydrophobicContact CG2-CE2 3.31Å; I484-Y488 WeakPolarHBondContact O-CD2 3.06Å; I484-Y488 PolarHBondContact O-N 3.12Å; A485-Y488 PolarHBondContact O-N 3.48Å; A485-Y488 VanDerWaalsContact O-N 3.16Å; Y488-R494 WeakPolarHBondContact O-CA 3.36Å; Y488-R494 WeakPolarHBondContact O-CB 3.32Å; Y488-L495 PolarHBondContact O-N 3.13Å
489	W	84.7	Confident	81.8	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-79.5	-34.4	175.3	-169.1	-89.3	0	0	0	113.2	N463 C466 Y467 F470 V471 A485 K486 T487 R494 L495 A496 C499 Y548	N463-W489 WeakPolarHBondContact O-CZ2 3.42Å; N463-W489 WeakPolarHBondContact OD1-CZ2 3.27Å; C466-W489 HydrophobicContact CB-CH2 3.53Å; C466-W489 HydrophobicContact CB-CZ3 4.02Å; Y467-W489 AromaticContact CD2-CD1 3.44Å; Y467-W489 VanDerWaalsContact CD2-CD1 3.44Å; Y467-W489 AromaticContact CD2-CD2 3.8Å; Y467-W489 HydrophobicContact CD2-CD2 3.8Å; Y467-W489 AromaticContact CD2-CE2 3.6Å; Y467-W489 AromaticContact CD2-CG 3.67Å; Y467-W489 HydrophobicContact CD2-CG 3.67Å; Y467-W489 HydrophobicContact CD2-CZ2 4.3Å; Y467-W489 AromaticContact CD2-NE1 3.39Å; Y467-W489 AromaticContact CE2-CD1 3.78Å; Y467-W489 HydrophobicContact CE2-CG 4.1Å; Y467-W489 HydrophobicContact CG-CZ2 4.49Å; F470-W489 HydrophobicContact CD1-CB 4.47Å; F470-W489 HydrophobicContact CD1-CD2 4.46Å; F470-W489 AromaticContact CD1-CE3 3.6Å; F470-W489 HydrophobicContact CD1-CE3 3.6Å; F470-W489 HydrophobicContact CD1-CZ3 4.24Å; F470-W489 HydrophobicContact CE1-CB 4.25Å; F470-W489 HydrophobicContact CE1-CE3 4.15Å; V471-W489 HydrophobicContact CG2-CB 3.83Å; V471-W489 HydrophobicContact CG2-CD2 4.44Å; V471-W489 HydrophobicContact CG2-CG 4.13Å; A485-W489 WeakPolarHBondContact O-CB 3.17Å; A485-W489 PolarHBondContact O-N 3.41Å; K486-W489 PolarHBondContact O-N 3.22Å; T487-W489 VanDerWaalsContact C-N 3.25Å; T487-W489 PolarHBondContact O-N 2.04Å; W489-R494 WeakPolarHBondContact O-CB 3.46Å; W489-R494 WeakPolarHBondContact O-CD 3.38Å; W489-L495 HydrophobicContact CE3-CB 4.46Å; W489-A496 HydrophobicContact CD2-CB 3.69Å; W489-A496 HydrophobicContact CE3-CB 4.13Å; W489-A496 HydrophobicContact CG-CB 4.21Å; W489-A496 HydrophobicContact CH2-CB 4.05Å; W489-A496 HydrophobicContact CZ2-CB 3.59Å; W489-A496 HydrophobicContact CZ3-CB 4.3Å; W489-C499 HydrophobicContact CH2-CB 3.99Å; W489-C499 HydrophobicContact CZ3-CB 4.22Å; W489-Y548 PolarHBondContact NE1-O 2.76Å
490	T	75.5	Confident	81.3	Confident	43 Å²	43	28.9 Å²	28.9	26%	0.264	15%	0.148	S	C	.	.	H	α-helix	trans	-102.9	-29.6	-172.1	58.8	0	0	0	0	113.7	K486 T487 P550	K486-T490 HydrophobicContact CG-CG2 4.35Å; K486-T490 WeakPolarHBondContact O-CG2 3.39Å; K486-T490 PolarHBondContact O-N 2.85Å; K486-T490 PolarHBondContact O-OG1 3.38Å; T487-T490 PolarHBondContact O-N 2.96Å; T490-P550 HydrophobicContact CG2-CG 3.99Å
491	R	69.5	Low	80.4	Confident	81 Å²	81	29.2 Å²	29.2	31%	0.306	15%	0.15	S	C	.	.	S	Bend	trans	-68.4	148.7	-179.2	-72.3	-167.6	178.2	177.8	4.6	111.4	T218 V221 T487 R494	T218-R491 PolarHBondContact OG1-NH2 3.19Å; V221-R491 PolarHBondContact O-NH1 3.38Å; T487-R491 HydrophobicContact CG2-CG 3.84Å; T487-R491 VanDerWaalsContact O-CB 3.24Å; T487-R491 WeakPolarHBondContact O-CB 3.41Å; T487-R491 VanDerWaalsContact O-CG 3.32Å; T487-R491 WeakPolarHBondContact O-CG 3.44Å; T487-R491 PolarHBondContact O-N 3.39Å; R491-R494 VanDerWaalsContact O-CA 3.28Å; R491-R494 WeakPolarHBondContact O-CA 2.99Å; R491-R494 WeakPolarHBondContact O-CB 3.37Å; R491-R494 PolarHBondContact O-N 3.19Å; R491-R494 VanDerWaalsContact O-N 3.17Å
492	Q	52	Low	79.3	Confident	46 Å²	46	33.2 Å²	33.2	22%	0.215	17%	0.17	C	C	.	.	S	Bend	trans	-40.3	139	175	-169.1	-176	-12.4	0	0	112.8	I205 S223	I205-Q492 HydrophobicContact CG2-CG 4.13Å; I205-Q492 PolarHBondContact O-NE2 2.85Å; S223-Q492 WeakPolarHBondContact CB-O 3.36Å; S223-Q492 PolarHBondContact OG-O 2.86Å; S223-Q492 VanDerWaalsContact OG-O 3.1Å
493	H	56.5	Low	78.5	Confident	10 Å²	10	31.7 Å²	31.7	5%	0.046	17%	0.166	C	C	.	.	S	Bend	trans	59.8	50.6	-168.5	-49.2	-79	0	0	0	111.7	I205 S223 A225 A226 F229	I205-H493 WeakPolarHBondContact CG2-CE1 3.3Å; I205-H493 WeakPolarHBondContact CG2-NE2 2.94Å; S223-H493 PolarHBondContact OG-O 3.23Å; A225-H493 HydrophobicContact CB-CB 3.57Å; A225-H493 WeakPolarHBondContact CB-O 3.34Å; A226-H493 HydrophobicContact CB-CB 4.29Å; A226-H493 VanDerWaalsContact CB-CD2 3.41Å; A226-H493 WeakPolarHBondContact CB-CD2 2.99Å; A226-H493 VanDerWaalsContact N-CB 3.34Å; F229-H493 AromaticContact CD2-CE1 3.82Å; F229-H493 AromaticContact CD2-ND1 3.61Å; F229-H493 AromaticContact CE2-ND1 3.72Å
494	R	71.9	Confident	77.6	Confident	15 Å²	15	33 Å²	33	6%	0.057	17%	0.166	C	C	.	.			trans	-77.9	154.8	-172.1	38.2	-171.7	-175.9	-172.5	15.6	111.4	Y488 W489 R491 A496 D497 D549	Y488-R494 WeakPolarHBondContact O-CA 3.36Å; Y488-R494 WeakPolarHBondContact O-CB 3.32Å; W489-R494 WeakPolarHBondContact O-CB 3.46Å; W489-R494 WeakPolarHBondContact O-CD 3.38Å; R491-R494 VanDerWaalsContact O-CA 3.28Å; R491-R494 WeakPolarHBondContact O-CA 2.99Å; R491-R494 WeakPolarHBondContact O-CB 3.37Å; R491-R494 PolarHBondContact O-N 3.19Å; R491-R494 VanDerWaalsContact O-N 3.17Å; R494-A496 HydrophobicContact CB-CB 4.15Å; R494-A496 HydrophobicContact CG-CB 3.82Å; R494-A496 PolarHBondContact O-N 3.46Å; R494-D497 WeakPolarHBondContact CG-OD1 3.4Å; R494-D497 PolarHBondContact N-OD2 3.23Å; R494-D497 IonicContact NE-OD1 3.64Å; R494-D497 PolarHBondContact NE-OD1 3.24Å; R494-D497 WeakPolarHBondContact O-CB 3.45Å; R494-D497 PolarHBondContact O-N 3.35Å; R494-D497 VanDerWaalsContact O-N 3.15Å; R494-D549 IonicContact CZ-OD2 3.63Å; R494-D549 IonicContact NH1-OD2 2.74Å; R494-D549 PolarHBondContact NH1-OD2 3.26Å; R494-D549 IonicContact NH2-OD2 3.73Å
495	L	81.8	Confident	76.7	Confident	6 Å²	6	32.6 Å²	32.6	3%	0.031	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-60.1	-23.8	167.8	-69.9	173.5	0	0	0	112.3	F224 F438 Y441 F470 Y488 W489 D497 L498 C499	F224-L495 HydrophobicContact CD1-CD2 4.15Å; F438-L495 HydrophobicContact CD2-CD2 4.08Å; F438-L495 HydrophobicContact CE2-CD2 4.46Å; Y441-L495 HydrophobicContact CD1-CD2 3.87Å; Y441-L495 HydrophobicContact CD2-CB 3.82Å; Y441-L495 HydrophobicContact CD2-CD1 4.39Å; Y441-L495 HydrophobicContact CD2-CD2 4.29Å; Y441-L495 HydrophobicContact CD2-CG 4.39Å; Y441-L495 HydrophobicContact CE1-CD2 4.18Å; Y441-L495 HydrophobicContact CE2-CB 4.15Å; Y441-L495 WeakPolarHBondContact CE2-O 3.5Å; Y441-L495 HydrophobicContact CG-CB 4.22Å; Y441-L495 HydrophobicContact CG-CD1 4.03Å; Y441-L495 HydrophobicContact CG-CD2 3.94Å; Y441-L495 HydrophobicContact CG-CG 4.29Å; F470-L495 HydrophobicContact CE1-CD1 3.92Å; F470-L495 HydrophobicContact CE2-CD1 4.29Å; F470-L495 HydrophobicContact CZ-CD1 3.59Å; Y488-L495 PolarHBondContact O-N 3.13Å; W489-L495 HydrophobicContact CE3-CB 4.46Å; L495-D497 PolarHBondContact O-N 2.94Å; L495-L498 HydrophobicContact CD2-CD1 4.36Å; L495-L498 PolarHBondContact O-N 3.29Å; L495-L498 VanDerWaalsContact O-N 3.11Å; L495-C499 PolarHBondContact O-N 3.29Å
496	A	80	Confident	76	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-55.5	-41.1	174.3	0	0	0	0	0	112	N463 W489 R494 L498 C499 L547	N463-A496 PolarHBondContact ND2-O 3.09Å; W489-A496 HydrophobicContact CD2-CB 3.69Å; W489-A496 HydrophobicContact CE3-CB 4.13Å; W489-A496 HydrophobicContact CG-CB 4.21Å; W489-A496 HydrophobicContact CH2-CB 4.05Å; W489-A496 HydrophobicContact CZ2-CB 3.59Å; W489-A496 HydrophobicContact CZ3-CB 4.3Å; R494-A496 HydrophobicContact CB-CB 4.15Å; R494-A496 HydrophobicContact CG-CB 3.82Å; R494-A496 PolarHBondContact O-N 3.46Å; A496-L498 PolarHBondContact O-N 2.92Å; A496-C499 PolarHBondContact O-N 2.98Å; A496-C499 VanDerWaalsContact O-N 3.13Å; A496-L547 VanDerWaalsContact C-CD2 3.48Å; A496-L547 HydrophobicContact CB-CD2 4.31Å; A496-L547 WeakPolarHBondContact O-CD2 3.37Å
497	D	75.3	Confident	75.8	Confident	26 Å²	26	36.4 Å²	36.4	14%	0.139	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-63.5	-23.7	-177.8	-57.1	-15.3	0	0	0	112.2	H134 R494 L495 L547	H134-D497 IonicContact CD2-OD2 2.85Å; R494-D497 WeakPolarHBondContact CG-OD1 3.4Å; R494-D497 PolarHBondContact N-OD2 3.23Å; R494-D497 IonicContact NE-OD1 3.64Å; R494-D497 PolarHBondContact NE-OD1 3.24Å; R494-D497 WeakPolarHBondContact O-CB 3.45Å; R494-D497 PolarHBondContact O-N 3.35Å; R494-D497 VanDerWaalsContact O-N 3.15Å; L495-D497 PolarHBondContact O-N 2.94Å; D497-L547 WeakPolarHBondContact OD1-CD1 3.45Å
498	L	81.3	Confident	75.6	Confident	34 Å²	34	36.5 Å²	36.5	18%	0.178	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-95.6	-17.1	-177.8	-53.8	-176	0	0	0	112.3	Y441 L495 A496 M500 I505	Y441-L498 HydrophobicContact CE2-CB 4.46Å; Y441-L498 WeakPolarHBondContact OH-CB 3.39Å; Y441-L498 PolarHBondContact OH-O 3.22Å; L495-L498 HydrophobicContact CD2-CD1 4.36Å; L495-L498 PolarHBondContact O-N 3.29Å; L495-L498 VanDerWaalsContact O-N 3.11Å; A496-L498 PolarHBondContact O-N 2.92Å; L498-M500 VanDerWaalsContact C-N 3.31Å; L498-M500 PolarHBondContact O-N 3.17Å; L498-I505 HydrophobicContact CB-CD1 3.77Å; L498-I505 HydrophobicContact CD1-CD1 4.44Å; L498-I505 HydrophobicContact CD2-CD1 3.86Å; L498-I505 HydrophobicContact CG-CD1 4.22Å
499	C	87.1	Confident	75.1	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.			trans	-84.5	72.7	-177.4	-135.8	0	0	0	0	112.5	Y441 R445 F462 N463 C466 W489 L495 A496	Y441-C499 HydrophobicContact CE2-CB 3.81Å; R445-C499 VanDerWaalsContact CB-SG 3.58Å; F462-C499 WeakPolarHBondContact CD1-O 3.37Å; N463-C499 PolarHBondContact ND2-O 3.17Å; C466-C499 HydrophobicContact CB-CB 3.62Å; C466-C499 WeakPolarHBondContact CB-SG 3.42Å; C466-C499 WeakPolarHBondContact SG-CB 3.42Å; C466-C499 CovalentContact SG-SG 2.03Å; C466-C499 PolarHBondContact SG-SG 3.15Å; W489-C499 HydrophobicContact CH2-CB 3.99Å; W489-C499 HydrophobicContact CZ3-CB 4.22Å; L495-C499 PolarHBondContact O-N 3.29Å; A496-C499 PolarHBondContact O-N 2.98Å; A496-C499 VanDerWaalsContact O-N 3.13Å
500	M	82.1	Confident	74.9	Confident	10 Å²	10	41.7 Å²	41.7	5%	0.049	22%	0.217	C	C	.	.			trans	-126.8	145.9	-178.7	-55.3	-62.6	-80.3	0	0	110.7	R445 L498 L503 N544 L547	R445-M500 PolarHBondContact NE-O 3.05Å; R445-M500 PolarHBondContact NH2-O 3.28Å; L498-M500 VanDerWaalsContact C-N 3.31Å; L498-M500 PolarHBondContact O-N 3.17Å; M500-L503 HydrophobicContact CB-CB 3.71Å; M500-L503 HydrophobicContact CB-CD2 4.32Å; M500-L503 HydrophobicContact CG-CB 4.49Å; M500-L503 HydrophobicContact CG-CD2 4.28Å; M500-N544 HydrophobicContact CE-CB 3.58Å; M500-N544 VanDerWaalsContact CE-CG 3.41Å; M500-N544 WeakPolarHBondContact CE-O 3.43Å; M500-N544 HydrophobicContact SD-CB 4.11Å; M500-N544 PolarHBondContact SD-ND2 3.4Å; M500-L547 HydrophobicContact SD-CD2 4.43Å
501	P	73.7	Confident	75.2	Confident	7 Å²	7	42.5 Å²	42.5	5%	0.045	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-32.9	-176	27.4	-33.5	0	0	0	112.9	F462 C536 A539 R542 N544	F462-P501 HydrophobicContact CD1-CB 4.5Å; F462-P501 HydrophobicContact CD1-CG 4.47Å; F462-P501 HydrophobicContact CD2-CB 3.89Å; F462-P501 HydrophobicContact CD2-CG 4.29Å; F462-P501 HydrophobicContact CE1-CB 4.46Å; F462-P501 HydrophobicContact CE2-CB 3.85Å; F462-P501 HydrophobicContact CG-CB 4.22Å; F462-P501 HydrophobicContact CG-CG 4.19Å; F462-P501 HydrophobicContact CZ-CB 4.16Å; P501-C536 PolarHBondContact O-SG 3.09Å; P501-C536 VanDerWaalsContact O-SG 3.39Å; P501-A539 HydrophobicContact CB-CB 4.3Å; P501-R542 HydrophobicContact CB-CB 3.88Å; P501-R542 HydrophobicContact CG-CB 3.77Å; P501-R542 WeakPolarHBondContact CG-O 3.47Å; P501-N544 HydrophobicContact CG-CB 4.1Å
502	N	70.1	Confident	76.1	Confident	111 Å²	111	38.9 Å²	38.9	59%	0.594	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104	8.4	-174.5	-67.3	-59.4	0	0	0	113.8	A539 R542	N502-A539 PolarHBondContact ND2-O 2.96Å; N502-A539 VanDerWaalsContact ND2-O 3.16Å; N502-A539 WeakPolarHBondContact OD1-CB 3.44Å; N502-R542 PolarHBondContact ND2-O 3.44Å
503	L	74.5	Confident	77.8	Confident	53 Å²	53	42.8 Å²	42.8	28%	0.277	23%	0.227	S	C	.	.			trans	-94.8	105.6	-175.7	-178.2	62.3	0	0	0	110.9	R445 M500 I505	R445-L503 PolarHBondContact NH2-O 3.08Å; M500-L503 HydrophobicContact CB-CB 3.71Å; M500-L503 HydrophobicContact CB-CD2 4.32Å; M500-L503 HydrophobicContact CG-CB 4.49Å; M500-L503 HydrophobicContact CG-CD2 4.28Å; L503-I505 HydrophobicContact CD1-CG1 4.44Å; L503-I505 HydrophobicContact CD2-CD1 3.76Å; L503-I505 HydrophobicContact CD2-CG1 4Å; L503-I505 HydrophobicContact CG-CD1 4.01Å; L503-I505 HydrophobicContact CG-CG1 3.73Å
504	N	71.2	Confident	79.3	Confident	106 Å²	106	42.5 Å²	42.5	57%	0.567	23%	0.225	S	C	*	.			trans	-86.5	126.3	170	-160.9	-15.5	0	0	0	109.7
505	I	72.1	Confident	80.3	Confident	34 Å²	34	49 Å²	49	17%	0.174	25%	0.25	C	S	.	.			trans	-119.4	123.8	-175.7	-56.8	166.1	0	0	0	108	L498 L503 Y507	L498-I505 HydrophobicContact CB-CD1 3.77Å; L498-I505 HydrophobicContact CD1-CD1 4.44Å; L498-I505 HydrophobicContact CD2-CD1 3.86Å; L498-I505 HydrophobicContact CG-CD1 4.22Å; L503-I505 HydrophobicContact CD1-CG1 4.44Å; L503-I505 HydrophobicContact CD2-CD1 3.76Å; L503-I505 HydrophobicContact CD2-CG1 4Å; L503-I505 HydrophobicContact CG-CD1 4.01Å; L503-I505 HydrophobicContact CG-CG1 3.73Å; I505-Y507 HydrophobicContact CB-CD2 4.35Å; I505-Y507 HydrophobicContact CB-CE1 4.13Å; I505-Y507 HydrophobicContact CB-CE2 3.74Å; I505-Y507 WeakPolarHBondContact CD1-OH 2.94Å; I505-Y507 HydrophobicContact CG2-CD1 3.86Å; I505-Y507 HydrophobicContact CG2-CD2 4.3Å; I505-Y507 HydrophobicContact CG2-CE1 3.45Å; I505-Y507 VanDerWaalsContact CG2-CE1 3.45Å; I505-Y507 HydrophobicContact CG2-CE2 3.95Å; I505-Y507 HydrophobicContact CG2-CG 4.28Å; I505-Y507 WeakPolarHBondContact O-CD2 3.28Å; I505-Y507 PolarHBondContact O-N 3.44Å
506	D	77.1	Confident	80.7	Confident	122 Å²	122	50.2 Å²	50.2	65%	0.652	26%	0.256	S	S	*	.			trans	-80.1	110.1	170.5	-171.9	2.7	0	0	0	109.9	S508	D506-S508 WeakPolarHBondContact OD1-CB 3.41Å; D506-S508 PolarHBondContact OD1-N 2.78Å; D506-S508 PolarHBondContact OD1-OG 3.04Å
507	Y	82.3	Confident	81.1	Confident	13 Å²	13	56 Å²	56	5%	0.051	28%	0.281	C	S	.	.			trans	-94	7.7	177.2	-64.8	-68.2	0	0	0	113	F438 Q442 I505 D509 V510 L526 L532	F438-Y507 AromaticContact CE2-CE1 3.98Å; F438-Y507 HydrophobicContact CE2-CE1 3.98Å; F438-Y507 AromaticContact CZ-CD1 3.85Å; F438-Y507 HydrophobicContact CZ-CD1 3.85Å; F438-Y507 AromaticContact CZ-CE1 3.59Å; F438-Y507 HydrophobicContact CZ-CE1 3.59Å; F438-Y507 HydrophobicContact CZ-CG 4.44Å; F438-Y507 AromaticContact CZ-CZ 3.96Å; Q442-Y507 PolarHBondContact NE2-OH 2.03Å; Q442-Y507 VanDerWaalsContact NE2-OH 3.1Å; I505-Y507 HydrophobicContact CB-CD2 4.35Å; I505-Y507 HydrophobicContact CB-CE1 4.13Å; I505-Y507 HydrophobicContact CB-CE2 3.74Å; I505-Y507 WeakPolarHBondContact CD1-OH 2.94Å; I505-Y507 HydrophobicContact CG2-CD1 3.86Å; I505-Y507 HydrophobicContact CG2-CD2 4.3Å; I505-Y507 HydrophobicContact CG2-CE1 3.45Å; I505-Y507 VanDerWaalsContact CG2-CE1 3.45Å; I505-Y507 HydrophobicContact CG2-CE2 3.95Å; I505-Y507 HydrophobicContact CG2-CG 4.28Å; I505-Y507 WeakPolarHBondContact O-CD2 3.28Å; I505-Y507 PolarHBondContact O-N 3.44Å; Y507-D509 PolarHBondContact O-N 3.41Å; Y507-V510 HydrophobicContact CD1-CG2 4.15Å; Y507-V510 WeakPolarHBondContact O-CB 3.04Å; Y507-V510 PolarHBondContact O-N 2.91Å; Y507-L526 HydrophobicContact CD1-CD1 4.39Å; Y507-L526 HydrophobicContact CG-CD1 4.26Å; Y507-L526 WeakPolarHBondContact O-CB 3.42Å; Y507-L532 HydrophobicContact CD2-CB 4.37Å; Y507-L532 HydrophobicContact CD2-CD1 4.1Å; Y507-L532 HydrophobicContact CD2-CD2 4.34Å; Y507-L532 HydrophobicContact CG-CD1 4.41Å
508	S	80.6	Confident	81.8	Confident	37 Å²	37	59.9 Å²	59.9	26%	0.259	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.8	-172.2	-66.3	0	0	0	0	115	D506 R527	D506-S508 WeakPolarHBondContact OD1-CB 3.41Å; D506-S508 PolarHBondContact OD1-N 2.78Å; D506-S508 PolarHBondContact OD1-OG 3.04Å; S508-R527 WeakPolarHBondContact O-CB 3.41Å; S508-R527 PolarHBondContact O-NE 2.92Å
509	D	77.4	Confident	82.1	Confident	107 Å²	107	59.9 Å²	59.9	57%	0.572	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-0.6	-179.8	-63.5	-24.1	0	0	0	113.3	Y507 R527	Y507-D509 PolarHBondContact O-N 3.41Å; D509-R527 IonicContact OD1-CZ 3.52Å; D509-R527 IonicContact OD1-NH2 3.77Å; D509-R527 PolarHBondContact OD1-NH2 2.9Å
510	V	80.7	Confident	82.3	Confident	14 Å²	14	67.9 Å²	67.9	9%	0.085	34%	0.342	C	S	.	.			trans	-82.6	124.4	178.3	179.4	0	0	0	0	110.1	F224 V228 Y507 F512 L526	F224-V510 HydrophobicContact CE2-CG1 3.93Å; F224-V510 HydrophobicContact CZ-CG1 3.69Å; F224-V510 HydrophobicContact CZ-CG2 4.41Å; V228-V510 HydrophobicContact CG2-CG2 4.18Å; Y507-V510 HydrophobicContact CD1-CG2 4.15Å; Y507-V510 WeakPolarHBondContact O-CB 3.04Å; Y507-V510 PolarHBondContact O-N 2.91Å; V510-F512 HydrophobicContact CG1-CD2 4.3Å; V510-F512 HydrophobicContact CG1-CE2 3.89Å; V510-F512 HydrophobicContact CG1-CZ 4.27Å; V510-L526 HydrophobicContact CB-CB 4.38Å; V510-L526 HydrophobicContact CB-CD1 3.76Å; V510-L526 HydrophobicContact CB-CG 4.03Å; V510-L526 HydrophobicContact CG1-CD1 3.6Å; V510-L526 HydrophobicContact CG1-CG 3.97Å; V510-L526 PolarHBondContact O-N 3.28Å
511	V	82.1	Confident	82.8	Confident	60 Å²	60	74.3 Å²	74.3	36%	0.364	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	120.8	174.8	-173.8	0	0	0	0	109.5	L523 V524 Q525	V511-L523 HydrophobicContact CG1-CB 4.17Å; V511-L523 HydrophobicContact CG1-CD2 4.3Å; V511-V524 CarbonylContact C-O 3.58Å; V511-V524 WeakPolarHBondContact CA-O 3.07Å; V511-Q525 HydrophobicContact CG1-CG 3.97Å; V511-Q525 HydrophobicContact CG2-CB 4.49Å; V511-Q525 HydrophobicContact CG2-CG 3.95Å
512	F	87.9	Confident	83.5	Confident	6 Å²	6	77.8 Å²	77.8	3%	0.026	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	127.6	171.9	-67.6	-84.6	0	0	0	110.4	F224 Q434 L435 F438 V510 I514 L523 V524 L526	F224-F512 AromaticContact CD2-CE1 3.73Å; F224-F512 HydrophobicContact CD2-CE1 3.73Å; F224-F512 AromaticContact CD2-CZ 3.96Å; F224-F512 HydrophobicContact CD2-CZ 3.96Å; F224-F512 HydrophobicContact CE2-CD1 4.42Å; F224-F512 AromaticContact CE2-CE1 3.36Å; F224-F512 HydrophobicContact CE2-CE1 3.36Å; F224-F512 HydrophobicContact CE2-CE2 4.2Å; F224-F512 AromaticContact CE2-CZ 3.21Å; F224-F512 HydrophobicContact CE2-CZ 3.21Å; F224-F512 HydrophobicContact CZ-CE1 4.33Å; F224-F512 AromaticContact CZ-CZ 3.75Å; F224-F512 HydrophobicContact CZ-CZ 3.75Å; Q434-F512 HydrophobicContact CB-CD1 4.31Å; Q434-F512 HydrophobicContact CB-CE1 4.24Å; L435-F512 HydrophobicContact CB-CB 4.37Å; L435-F512 HydrophobicContact CB-CD1 4.15Å; L435-F512 HydrophobicContact CB-CG 4.14Å; L435-F512 HydrophobicContact CD1-CB 4.23Å; L435-F512 HydrophobicContact CD1-CD2 3.52Å; L435-F512 HydrophobicContact CD1-CE2 3.92Å; L435-F512 HydrophobicContact CD1-CG 3.85Å; F438-F512 HydrophobicContact CB-CE1 4.29Å; F438-F512 HydrophobicContact CB-CE2 4.37Å; F438-F512 HydrophobicContact CB-CZ 3.61Å; F438-F512 AromaticContact CD1-CE2 3.74Å; F438-F512 HydrophobicContact CD1-CE2 3.74Å; F438-F512 AromaticContact CD1-CZ 3.7Å; F438-F512 HydrophobicContact CD1-CZ 3.7Å; F438-F512 HydrophobicContact CD2-CZ 4.24Å; F438-F512 HydrophobicContact CE1-CE2 4.31Å; F438-F512 HydrophobicContact CE1-CZ 4.46Å; F438-F512 HydrophobicContact CG-CE2 4.12Å; F438-F512 AromaticContact CG-CZ 3.57Å; F438-F512 HydrophobicContact CG-CZ 3.57Å; V510-F512 HydrophobicContact CG1-CD2 4.3Å; V510-F512 HydrophobicContact CG1-CE2 3.89Å; V510-F512 HydrophobicContact CG1-CZ 4.27Å; F512-I514 HydrophobicContact CB-CG2 4.36Å; F512-L523 CarbonylContact O-C 3.6Å; F512-L523 WeakPolarHBondContact O-CA 2.98Å; F512-V524 HydrophobicContact CB-CB 4.29Å; F512-V524 PolarHBondContact N-O 2.97Å; F512-V524 PolarHBondContact O-N 2.94Å; F512-L526 HydrophobicContact CD2-CD2 4.2Å; F512-L526 HydrophobicContact CD2-CG 4.46Å; F512-L526 HydrophobicContact CE2-CD1 3.99Å; F512-L526 HydrophobicContact CE2-CD2 4.07Å; F512-L526 HydrophobicContact CE2-CG 4.21Å
513	Q	88	Confident	84.4	Confident	127 Å²	127	77.2 Å²	77.2	59%	0.593	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	107.5	167.8	-177.3	173.6	30	0	0	109.6	L523	Q513-L523 HydrophobicContact CB-CD2 3.74Å; Q513-L523 HydrophobicContact CG-CD2 3.82Å
514	I	88.7	Confident	85	Confident	4 Å²	4	75.3 Å²	75.3	2%	0.021	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	155.2	-177.8	60.8	167.8	0	0	0	111.7	L422 M432 L435 F512 L516 K521 E522 V524	L422-I514 HydrophobicContact CD1-CD1 3.72Å; M432-I514 HydrophobicContact CE-CD1 4.21Å; M432-I514 HydrophobicContact CG-CB 4.24Å; M432-I514 HydrophobicContact CG-CG2 4.47Å; L435-I514 HydrophobicContact CB-CG2 3.97Å; L435-I514 HydrophobicContact CD2-CD1 3.89Å; L435-I514 HydrophobicContact CD2-CG2 3.91Å; F512-I514 HydrophobicContact CB-CG2 4.36Å; I514-L516 HydrophobicContact CD1-CD2 3.88Å; I514-K521 WeakPolarHBondContact O-CA 3.04Å; I514-E522 HydrophobicContact CD1-CB 4.32Å; I514-E522 HydrophobicContact CG1-CB 3.96Å; I514-E522 PolarHBondContact N-O 3.15Å; I514-E522 PolarHBondContact O-N 2.77Å; I514-V524 HydrophobicContact CD1-CG2 4.21Å
515	R	91.4	Very high	85.7	Confident	153 Å²	153	75.5 Å²	75.5	58%	0.577	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	112.5	171.9	-172	177.5	-174.7	174.4	-2.4	109.6	N429 A431	N429-R515 PolarHBondContact ND2-O 3.43Å; N429-R515 PolarHBondContact OD1-O 3.01Å; A431-R515 HydrophobicContact CB-CB 4.34Å
516	L	91.6	Very high	86.4	Confident	30 Å²	30	74 Å²	74	16%	0.157	36%	0.362	C	S	.	.			trans	-70.4	161.8	179.5	-59	177.8	0	0	0	111.2	L422 M432 I514 N518 G519 Y520	L422-L516 HydrophobicContact CD1-CD2 3.95Å; L422-L516 HydrophobicContact CD2-CD2 4.5Å; M432-L516 HydrophobicContact CE-CD2 4.49Å; M432-L516 HydrophobicContact SD-CD2 4.32Å; I514-L516 HydrophobicContact CD1-CD2 3.88Å; L516-N518 WeakPolarHBondContact CB-OD1 3.43Å; L516-N518 PolarHBondContact O-N 2.98Å; L516-G519 WeakPolarHBondContact O-CA 3.4Å; L516-G519 PolarHBondContact O-N 2.04Å; L516-Y520 PolarHBondContact N-O 2.05Å
517	K	89	Confident	86.7	Confident	121 Å²	121	75.8 Å²	75.8	53%	0.526	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-35	178.4	-75.5	-176.1	-178.4	172.5	0	113.3	D426 K427 C428 N429 G519	D426-K517 PolarHBondContact O-NZ 2.99Å; K427-K517 WeakPolarHBondContact O-CD 3.32Å; K427-K517 VanDerWaalsContact O-CE 3.27Å; K427-K517 WeakPolarHBondContact O-CE 3.24Å; K427-K517 WeakPolarHBondContact O-CG 3.45Å; C428-K517 WeakPolarHBondContact O-CE 3.46Å; C428-K517 PolarHBondContact O-NZ 2.99Å; C428-K517 VanDerWaalsContact O-NZ 3.15Å; N429-K517 HydrophobicContact CB-CG 4.15Å; N429-K517 PolarHBondContact ND2-N 2.88Å; K517-G519 PolarHBondContact O-N 3.27Å
518	N	89.5	Confident	86.6	Confident	109 Å²	109	80.2 Å²	80.2	58%	0.583	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-0.3	175.9	63.3	6.8	0	0	0	113.5	L516 Y520	L516-N518 WeakPolarHBondContact CB-OD1 3.43Å; L516-N518 PolarHBondContact O-N 2.98Å; N518-Y520 VanDerWaalsContact C-N 3.34Å; N518-Y520 HydrophobicContact CB-CD2 4.13Å; N518-Y520 WeakPolarHBondContact ND2-CD2 3.04Å; N518-Y520 PolarHBondContact O-N 3.47Å; N518-Y520 WeakPolarHBondContact OD1-CD2 3.38Å; N518-Y520 PolarHBondContact OD1-N 3.21Å; N518-Y520 VanDerWaalsContact OD1-N 3.15Å
519	G	87.7	Confident	86.8	Confident	34 Å²	34	79 Å²	79	35%	0.351	38%	0.379	S	S	.	.	S	Bend	trans	88.1	-7.8	176.9	0	0	0	0	0	115	L516 K517	L516-G519 WeakPolarHBondContact O-CA 3.4Å; L516-G519 PolarHBondContact O-N 2.04Å; K517-G519 PolarHBondContact O-N 3.27Å
520	Y	91.6	Very high	87.1	Confident	167 Å²	167	78.4 Å²	78.4	66%	0.655	38%	0.383	S	S	*	.			trans	-68	151.9	174.6	-72.2	-94.5	0	0	0	111	L516 N518	L516-Y520 PolarHBondContact N-O 2.05Å; N518-Y520 VanDerWaalsContact C-N 3.34Å; N518-Y520 HydrophobicContact CB-CD2 4.13Å; N518-Y520 WeakPolarHBondContact ND2-CD2 3.04Å; N518-Y520 PolarHBondContact O-N 3.47Å; N518-Y520 WeakPolarHBondContact OD1-CD2 3.38Å; N518-Y520 PolarHBondContact OD1-N 3.21Å; N518-Y520 VanDerWaalsContact OD1-N 3.15Å
521	K	91.7	Very high	87.4	Confident	146 Å²	146	78.2 Å²	78.2	64%	0.635	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	136.5	175.2	-65.3	-173.9	178.2	-170.8	0	109	I514	I514-K521 WeakPolarHBondContact O-CA 3.04Å
522	E	88.8	Confident	87.5	Confident	79 Å²	79	76 Å²	76	37%	0.369	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.3	178.3	-168.7	174.4	165.4	0	0	109.5	L422 I514	L422-E522 WeakPolarHBondContact CD1-OE2 3.49Å; I514-E522 HydrophobicContact CD1-CB 4.32Å; I514-E522 HydrophobicContact CG1-CB 3.96Å; I514-E522 PolarHBondContact N-O 3.15Å; I514-E522 PolarHBondContact O-N 2.77Å
523	L	89.4	Confident	87.3	Confident	99 Å²	99	81.5 Å²	81.5	52%	0.518	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.2	176.2	-64.6	178.5	0	0	0	108.2	V511 F512 Q513	V511-L523 HydrophobicContact CG1-CB 4.17Å; V511-L523 HydrophobicContact CG1-CD2 4.3Å; F512-L523 CarbonylContact O-C 3.6Å; F512-L523 WeakPolarHBondContact O-CA 2.98Å; Q513-L523 HydrophobicContact CB-CD2 3.74Å; Q513-L523 HydrophobicContact CG-CD2 3.82Å
524	V	85.5	Confident	87.1	Confident	14 Å²	14	76.6 Å²	76.6	9%	0.085	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	109.1	177	-177.8	0	0	0	0	108	L435 V511 F512 I514	L435-V524 HydrophobicContact CD1-CB 4.42Å; L435-V524 HydrophobicContact CD1-CG1 4.12Å; L435-V524 HydrophobicContact CD2-CB 4.35Å; L435-V524 HydrophobicContact CD2-CG2 3.84Å; V511-V524 CarbonylContact C-O 3.58Å; V511-V524 WeakPolarHBondContact CA-O 3.07Å; F512-V524 HydrophobicContact CB-CB 4.29Å; F512-V524 PolarHBondContact N-O 2.97Å; F512-V524 PolarHBondContact O-N 2.94Å; I514-V524 HydrophobicContact CD1-CG2 4.21Å
525	Q	87.5	Confident	86.9	Confident	109 Å²	109	81.2 Å²	81.2	51%	0.509	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	130.5	179.6	-61.1	-177.1	-28.6	0	0	109.7	V511 T528	V511-Q525 HydrophobicContact CG1-CG 3.97Å; V511-Q525 HydrophobicContact CG2-CB 4.49Å; V511-Q525 HydrophobicContact CG2-CG 3.95Å; Q525-T528 PolarHBondContact O-OG1 3.22Å
526	L	86.2	Confident	86.5	Confident	4 Å²	4	74.7 Å²	74.7	2%	0.021	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-83.5	-18.7	-177.8	-59.7	-166.3	0	0	0	113.9	L419 F438 Y507 V510 F512 T528 I529 L532	L419-L526 HydrophobicContact CD1-CD2 4.29Å; L419-L526 HydrophobicContact CD2-CD2 4.49Å; F438-L526 HydrophobicContact CD1-CD1 4.2Å; F438-L526 HydrophobicContact CE1-CD1 3.38Å; F438-L526 HydrophobicContact CZ-CD1 3.87Å; Y507-L526 HydrophobicContact CD1-CD1 4.39Å; Y507-L526 HydrophobicContact CG-CD1 4.26Å; Y507-L526 WeakPolarHBondContact O-CB 3.42Å; V510-L526 HydrophobicContact CB-CB 4.38Å; V510-L526 HydrophobicContact CB-CD1 3.76Å; V510-L526 HydrophobicContact CB-CG 4.03Å; V510-L526 HydrophobicContact CG1-CD1 3.6Å; V510-L526 HydrophobicContact CG1-CG 3.97Å; V510-L526 PolarHBondContact O-N 3.28Å; F512-L526 HydrophobicContact CD2-CD2 4.2Å; F512-L526 HydrophobicContact CD2-CG 4.46Å; F512-L526 HydrophobicContact CE2-CD1 3.99Å; F512-L526 HydrophobicContact CE2-CD2 4.07Å; F512-L526 HydrophobicContact CE2-CG 4.21Å; L526-T528 PolarHBondContact O-N 3.08Å; L526-T528 VanDerWaalsContact O-N 3.1Å; L526-I529 HydrophobicContact CD2-CD1 3.77Å; L526-I529 WeakPolarHBondContact O-CB 3.5Å; L526-I529 PolarHBondContact O-N 3.44Å; L526-L532 HydrophobicContact CB-CD1 4Å; L526-L532 HydrophobicContact CD1-CD1 4.22Å
527	R	83.9	Confident	86.1	Confident	158 Å²	158	76.2 Å²	76.2	60%	0.596	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-54.7	-30.1	178.7	-166.5	177.4	-73	-141.2	-5.2	113.9	S508 D509 I529	S508-R527 WeakPolarHBondContact O-CB 3.41Å; S508-R527 PolarHBondContact O-NE 2.92Å; D509-R527 IonicContact OD1-CZ 3.52Å; D509-R527 IonicContact OD1-NH2 3.77Å; D509-R527 PolarHBondContact OD1-NH2 2.9Å; R527-I529 VanDerWaalsContact C-N 3.26Å; R527-I529 PolarHBondContact O-N 2.87Å
528	T	79.3	Confident	85.7	Confident	107 Å²	107	73.5 Å²	73.5	66%	0.656	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-81.1	-6.1	-178	54.7	0	0	0	0	113.1	Q525 L526 S530	Q525-T528 PolarHBondContact O-OG1 3.22Å; L526-T528 PolarHBondContact O-N 3.08Å; L526-T528 VanDerWaalsContact O-N 3.1Å; T528-S530 PolarHBondContact O-N 2.83Å
529	I	84.6	Confident	84.9	Confident	12 Å²	12	68.7 Å²	68.7	6%	0.062	36%	0.355	C	S	.	.			trans	-101.4	83.3	-172.1	-51.2	173	0	0	0	109.1	L419 L526 R527 A531 L532	L419-I529 HydrophobicContact CB-CD1 4.07Å; L419-I529 HydrophobicContact CD2-CD1 3.73Å; L419-I529 HydrophobicContact CD2-CG2 4.14Å; L526-I529 HydrophobicContact CD2-CD1 3.77Å; L526-I529 WeakPolarHBondContact O-CB 3.5Å; L526-I529 PolarHBondContact O-N 3.44Å; R527-I529 VanDerWaalsContact C-N 3.26Å; R527-I529 PolarHBondContact O-N 2.87Å; I529-A531 HydrophobicContact CG2-CB 4.28Å; I529-A531 PolarHBondContact O-N 3.25Å; I529-A531 VanDerWaalsContact O-N 3.15Å; I529-L532 HydrophobicContact CB-CD1 4.1Å; I529-L532 HydrophobicContact CB-CG 4.34Å; I529-L532 HydrophobicContact CG2-CD1 4.31Å; I529-L532 HydrophobicContact CG2-CG 4.06Å; I529-L532 WeakPolarHBondContact O-CB 3.26Å; I529-L532 PolarHBondContact O-N 3.39Å; I529-L532 VanDerWaalsContact O-N 3.1Å
530	S	84	Confident	84	Confident	94 Å²	94	76.9 Å²	76.9	66%	0.657	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-59.4	-25.7	179.5	58.2	0	0	0	0	113.4	T528 L532 N533	T528-S530 PolarHBondContact O-N 2.83Å; S530-L532 PolarHBondContact O-N 2.93Å; S530-L532 VanDerWaalsContact O-N 3.15Å; S530-N533 WeakPolarHBondContact O-CB 3.2Å; S530-N533 PolarHBondContact O-N 3.12Å
531	A	86.6	Confident	83	Confident	9 Å²	9	76.4 Å²	76.4	7%	0.074	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-60.2	-21.4	176.4	0	0	0	0	0	113.5	F380 Q404 L417 I529 N533 Y534	F380-A531 HydrophobicContact CE2-CB 3.88Å; F380-A531 HydrophobicContact CZ-CB 4.13Å; Q404-A531 VanDerWaalsContact CD-CB 3.47Å; Q404-A531 HydrophobicContact CG-CB 3.81Å; L417-A531 HydrophobicContact CD1-CB 4.18Å; L417-A531 WeakPolarHBondContact CD1-O 3.06Å; L417-A531 HydrophobicContact CG-CB 4.26Å; I529-A531 HydrophobicContact CG2-CB 4.28Å; I529-A531 PolarHBondContact O-N 3.25Å; I529-A531 VanDerWaalsContact O-N 3.15Å; A531-N533 PolarHBondContact O-N 3.43Å; A531-Y534 WeakPolarHBondContact O-CD1 3.42Å
532	L	85.4	Confident	82	Confident	15 Å²	15	69.9 Å²	69.9	8%	0.079	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-68.6	-18.3	173.5	-74	172.1	0	0	0	113.1	L417 L419 Q442 Y507 L526 I529 S530 Y534	L417-L532 HydrophobicContact CD1-CD2 4.09Å; L417-L532 HydrophobicContact CD2-CD2 3.95Å; L417-L532 HydrophobicContact CD2-CG 4.5Å; L419-L532 HydrophobicContact CD2-CD1 4.11Å; L419-L532 HydrophobicContact CD2-CD2 3.95Å; L419-L532 HydrophobicContact CD2-CG 4.12Å; Q442-L532 HydrophobicContact CG-CD2 3.86Å; Y507-L532 HydrophobicContact CD2-CB 4.37Å; Y507-L532 HydrophobicContact CD2-CD1 4.1Å; Y507-L532 HydrophobicContact CD2-CD2 4.34Å; Y507-L532 HydrophobicContact CG-CD1 4.41Å; L526-L532 HydrophobicContact CB-CD1 4Å; L526-L532 HydrophobicContact CD1-CD1 4.22Å; I529-L532 HydrophobicContact CB-CD1 4.1Å; I529-L532 HydrophobicContact CB-CG 4.34Å; I529-L532 HydrophobicContact CG2-CD1 4.31Å; I529-L532 HydrophobicContact CG2-CG 4.06Å; I529-L532 WeakPolarHBondContact O-CB 3.26Å; I529-L532 PolarHBondContact O-N 3.39Å; I529-L532 VanDerWaalsContact O-N 3.1Å; S530-L532 PolarHBondContact O-N 2.93Å; S530-L532 VanDerWaalsContact O-N 3.15Å; L532-Y534 WeakPolarHBondContact O-CD1 3.37Å; L532-Y534 PolarHBondContact O-N 3.06Å
533	N	83.8	Confident	80.6	Confident	121 Å²	121	69.9 Å²	69.9	65%	0.647	36%	0.355	S	S	*	.			trans	-90.1	71.3	176.5	-169.8	15	0	0	0	110.7	S530 A531	S530-N533 WeakPolarHBondContact O-CB 3.2Å; S530-N533 PolarHBondContact O-N 3.12Å; A531-N533 PolarHBondContact O-N 3.43Å
534	Y	84.2	Confident	79.3	Confident	24 Å²	24	65.6 Å²	65.6	9%	0.094	33%	0.332	C	S	.	.			trans	-112.4	157.4	174.9	64.7	-88.3	0	0	0	111.4	L417 Q442 R445 Y446 C449 Y450 A531 L532	L417-Y534 HydrophobicContact CD1-CD1 4.14Å; L417-Y534 HydrophobicContact CD1-CE1 4.04Å; Q442-Y534 PolarHBondContact OE1-OH 3.5Å; R445-Y534 WeakPolarHBondContact CD-OH 3.46Å; R445-Y534 VanDerWaalsContact CG-OH 3.3Å; R445-Y534 WeakPolarHBondContact CG-OH 3.22Å; Y446-Y534 AromaticContact CD2-CD1 3.97Å; Y446-Y534 HydrophobicContact CD2-CD1 3.97Å; Y446-Y534 AromaticContact CD2-CD2 3.98Å; Y446-Y534 HydrophobicContact CD2-CD2 3.98Å; Y446-Y534 HydrophobicContact CD2-CE1 4.08Å; Y446-Y534 HydrophobicContact CD2-CE2 4.09Å; Y446-Y534 AromaticContact CD2-CG 3.92Å; Y446-Y534 HydrophobicContact CD2-CG 3.92Å; Y446-Y534 HydrophobicContact CE2-CD1 4.43Å; Y446-Y534 HydrophobicContact CE2-CD2 4.36Å; Y446-Y534 HydrophobicContact CE2-CG 4.12Å; C449-Y534 HydrophobicContact CB-CE2 4.15Å; C449-Y534 VanDerWaalsContact SG-CE2 3.53Å; Y450-Y534 HydrophobicContact CE2-CD2 4.16Å; A531-Y534 WeakPolarHBondContact O-CD1 3.42Å; L532-Y534 WeakPolarHBondContact O-CD1 3.37Å; L532-Y534 PolarHBondContact O-N 3.06Å
535	T	82.7	Confident	77.9	Confident	101 Å²	101	68.1 Å²	68.1	62%	0.62	34%	0.342	S	S	*	.			trans	-121.3	139.9	175.6	53.7	0	0	0	0	109.6	Y450 P537	Y450-T535 PolarHBondContact OH-O 2.9Å; T535-P537 WeakPolarHBondContact O-CD 3.37Å
536	C	83.3	Confident	76.5	Confident	15 Å²	15	67.5 Å²	67.5	10%	0.101	34%	0.336	C	S	.	.			trans	-78.5	121	-178.3	-61	0	0	0	0	111.2	C449 P501 Y538 A539	C449-C536 HydrophobicContact CB-CB 4.07Å; C449-C536 WeakPolarHBondContact CB-SG 3.45Å; C449-C536 WeakPolarHBondContact SG-CA 3.39Å; C449-C536 WeakPolarHBondContact SG-CB 3.44Å; C449-C536 CovalentContact SG-SG 2.02Å; C449-C536 PolarHBondContact SG-SG 3.2Å; P501-C536 PolarHBondContact O-SG 3.09Å; P501-C536 VanDerWaalsContact O-SG 3.39Å; C536-Y538 PolarHBondContact O-N 3.1Å; C536-A539 HydrophobicContact CB-CB 3.78Å; C536-A539 VanDerWaalsContact O-CB 3.3Å; C536-A539 WeakPolarHBondContact O-CB 2.83Å; C536-A539 PolarHBondContact O-N 3.13Å
537	P	83.7	Confident	75.6	Confident	62 Å²	62	68.1 Å²	68.1	40%	0.403	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-34.7	-178.7	23.2	-33.5	0	0	0	112.3	C449 Y450 T535	C449-P537 WeakPolarHBondContact O-CD 3.41Å; Y450-P537 HydrophobicContact CD1-CG 3.75Å; Y450-P537 HydrophobicContact CE1-CG 3.98Å; Y450-P537 HydrophobicContact CG-CG 4.4Å; T535-P537 WeakPolarHBondContact O-CD 3.37Å
538	Y	81.5	Confident	74.8	Confident	64 Å²	64	61.8 Å²	61.8	25%	0.251	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	11.8	-178.3	-50.6	-63.4	0	0	0	113.4	Y450 D452 C536 K540 R541 R542	Y450-Y538 WeakPolarHBondContact O-CE2 3.47Å; D452-Y538 HydrophobicContact CB-CD1 4.36Å; D452-Y538 HydrophobicContact CB-CD2 4.02Å; D452-Y538 HydrophobicContact CB-CE1 3.98Å; D452-Y538 HydrophobicContact CB-CE2 3.59Å; D452-Y538 HydrophobicContact CB-CG 4.38Å; D452-Y538 VanDerWaalsContact CG-CE1 3.49Å; D452-Y538 VanDerWaalsContact OD1-CD1 3.23Å; D452-Y538 WeakPolarHBondContact OD1-CD1 3.42Å; D452-Y538 WeakPolarHBondContact OD1-CE1 3.41Å; C536-Y538 PolarHBondContact O-N 3.1Å; Y538-K540 PolarHBondContact O-N 3.07Å; Y538-K540 VanDerWaalsContact O-N 3.11Å; Y538-R541 WeakPolarHBondContact O-CB 3.27Å; Y538-R541 PolarHBondContact O-N 3.36Å; Y538-R542 VanDerWaalsContact O-CG 3.32Å; Y538-R542 WeakPolarHBondContact O-CG 3.28Å; Y538-R542 PolarHBondContact O-N 2.9Å
539	A	71.4	Confident	74.4	Confident	9 Å²	9	57.9 Å²	57.9	7%	0.074	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-32.4	-173.5	0	0	0	0	0	113.5	P501 N502 C536 R541 R542	P501-A539 HydrophobicContact CB-CB 4.3Å; N502-A539 PolarHBondContact ND2-O 2.96Å; N502-A539 VanDerWaalsContact ND2-O 3.16Å; N502-A539 WeakPolarHBondContact OD1-CB 3.44Å; C536-A539 HydrophobicContact CB-CB 3.78Å; C536-A539 VanDerWaalsContact O-CB 3.3Å; C536-A539 WeakPolarHBondContact O-CB 2.83Å; C536-A539 PolarHBondContact O-N 3.13Å; A539-R541 VanDerWaalsContact C-N 3.33Å; A539-R541 PolarHBondContact O-N 2.87Å; A539-R542 CarbonylContact O-C 2.99Å; A539-R542 PolarHBondContact O-N 2.87Å
540	K	69.4	Low	73.6	Confident	206 Å²	206	57.4 Å²	57.4	90%	0.896	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-28	176.3	-64.7	-176.1	-180	179.9	0	113.7	Y538 R542	Y538-K540 PolarHBondContact O-N 3.07Å; Y538-K540 VanDerWaalsContact O-N 3.11Å; K540-R542 VanDerWaalsContact C-N 3.34Å
541	R	70.7	Confident	72.6	Confident	157 Å²	157	55 Å²	55	59%	0.592	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-17	174.6	-62.4	-179.7	-179.6	171.4	-3.5	111.7	D452 A456 Y538 A539	D452-R541 IonicContact OD1-NH1 2.61Å; D452-R541 PolarHBondContact OD1-NH1 3.15Å; D452-R541 IonicContact OD2-NH1 3.96Å; D452-R541 PolarHBondContact OD2-NH1 3.5Å; A456-R541 WeakPolarHBondContact CB-O 3.45Å; Y538-R541 WeakPolarHBondContact O-CB 3.27Å; Y538-R541 PolarHBondContact O-N 3.36Å; A539-R541 VanDerWaalsContact C-N 3.33Å; A539-R541 PolarHBondContact O-N 2.87Å
542	R	69.9	Low	71	Confident	8 Å²	8	60 Å²	60	3%	0.03	30%	0.3	C	S	.	.			trans	-103.9	96.1	-174.6	-63.2	-82.4	171.9	77.1	19.2	109.5	C448 D451 D452 V454 F462 P501 N502 Y538 A539 K540	C448-R542 PolarHBondContact O-NH1 2.56Å; D451-R542 PolarHBondContact O-NH1 2.91Å; D451-R542 PolarHBondContact O-NH2 3.07Å; D452-R542 PolarHBondContact O-NH2 3.35Å; V454-R542 VanDerWaalsContact CB-NH1 3.34Å; V454-R542 PolarHBondContact O-NE 2.6Å; V454-R542 VanDerWaalsContact O-NE 3.1Å; V454-R542 PolarHBondContact O-NH2 2.95Å; V454-R542 VanDerWaalsContact O-NH2 3.16Å; F462-R542 HydrophobicContact CD2-CG 4.46Å; P501-R542 HydrophobicContact CB-CB 3.88Å; P501-R542 HydrophobicContact CG-CB 3.77Å; P501-R542 WeakPolarHBondContact CG-O 3.47Å; N502-R542 PolarHBondContact ND2-O 3.44Å; Y538-R542 VanDerWaalsContact O-CG 3.32Å; Y538-R542 WeakPolarHBondContact O-CG 3.28Å; Y538-R542 PolarHBondContact O-N 2.9Å; A539-R542 CarbonylContact O-C 2.99Å; A539-R542 PolarHBondContact O-N 2.87Å; K540-R542 VanDerWaalsContact C-N 3.34Å
543	V	60.8	Low	69.6	Low	80 Å²	80	62 Å²	62	49%	0.485	31%	0.312	S	S	.	.			trans	-89.2	111.3	165	-73.7	0	0	0	0	108.9	F545	V543-F545 HydrophobicContact CB-CD2 4.04Å; V543-F545 HydrophobicContact CB-CE2 3.4Å; V543-F545 VanDerWaalsContact CB-CE2 3.4Å; V543-F545 HydrophobicContact CB-CZ 3.76Å; V543-F545 HydrophobicContact CG1-CE2 4.04Å; V543-F545 HydrophobicContact CG1-CZ 3.94Å; V543-F545 HydrophobicContact CG2-CD2 4.34Å; V543-F545 HydrophobicContact CG2-CE2 3.74Å; V543-F545 HydrophobicContact CG2-CZ 4.48Å
544	N	61	Low	67.8	Low	8 Å²	8	61.9 Å²	61.9	4%	0.043	33%	0.327	C	S	.	.			trans	-110.1	114.9	172.7	-169.7	-9.8	0	0	0	108.3	P459 F462 N463 M500 P501 Y546	P459-N544 CarbonylContact O-C 3.51Å; P459-N544 VanDerWaalsContact O-CA 3.31Å; P459-N544 WeakPolarHBondContact O-CA 3.09Å; P459-N544 PolarHBondContact O-OD1 3.12Å; F462-N544 HydrophobicContact CB-CB 4.28Å; N463-N544 PolarHBondContact N-ND2 3.28Å; M500-N544 HydrophobicContact CE-CB 3.58Å; M500-N544 VanDerWaalsContact CE-CG 3.41Å; M500-N544 WeakPolarHBondContact CE-O 3.43Å; M500-N544 HydrophobicContact SD-CB 4.11Å; M500-N544 PolarHBondContact SD-ND2 3.4Å; P501-N544 HydrophobicContact CG-CB 4.1Å; N544-Y546 PolarHBondContact OD1-N 2.98Å; N544-Y546 PolarHBondContact OD1-O 2.72Å
545	F	56.1	Low	66.2	Low	67 Å²	67	67.8 Å²	67.8	29%	0.294	36%	0.36	S	S	.	.			trans	-118.6	-20.4	-176.7	-63.5	-64.8	0	0	0	112.3	P127 P459 V543	P127-F545 HydrophobicContact CG-CB 3.59Å; P127-F545 HydrophobicContact CG-CG 4.4Å; P127-F545 WeakPolarHBondContact CG-O 3.48Å; P459-F545 HydrophobicContact CB-CB 4.1Å; P459-F545 HydrophobicContact CB-CD2 3.9Å; P459-F545 PolarHBondContact O-N 3.02Å; V543-F545 HydrophobicContact CB-CD2 4.04Å; V543-F545 HydrophobicContact CB-CE2 3.4Å; V543-F545 VanDerWaalsContact CB-CE2 3.4Å; V543-F545 HydrophobicContact CB-CZ 3.76Å; V543-F545 HydrophobicContact CG1-CE2 4.04Å; V543-F545 HydrophobicContact CG1-CZ 3.94Å; V543-F545 HydrophobicContact CG2-CD2 4.34Å; V543-F545 HydrophobicContact CG2-CE2 3.74Å; V543-F545 HydrophobicContact CG2-CZ 4.48Å
546	Y	57.9	Low	64.2	Low	96 Å²	96	66.3 Å²	66.3	38%	0.376	34%	0.344	S	S	.	.	S	Bend	trans	-123.7	143.2	-177.5	-62.7	-96.5	0	0	0	110.7	P127 P459 D460 N544	P127-Y546 HydrophobicContact CB-CE1 4.44Å; P127-Y546 HydrophobicContact CG-CD2 4.41Å; P127-Y546 HydrophobicContact CG-CE1 4.22Å; P127-Y546 HydrophobicContact CG-CE2 3.99Å; P459-Y546 HydrophobicContact CB-CD2 3.51Å; P459-Y546 HydrophobicContact CB-CE2 3.8Å; P459-Y546 HydrophobicContact CG-CD2 3.2Å; P459-Y546 HydrophobicContact CG-CE2 3.38Å; P459-Y546 HydrophobicContact CG-CG 4.31Å; P459-Y546 PolarHBondContact O-N 2.8Å; P459-Y546 VanDerWaalsContact O-N 3.16Å; D460-Y546 WeakPolarHBondContact CB-O 3.43Å; N544-Y546 PolarHBondContact OD1-N 2.98Å; N544-Y546 PolarHBondContact OD1-O 2.72Å
547	L	67.7	Low	62.3	Low	17 Å²	17	70.1 Å²	70.1	9%	0.089	36%	0.363	C	S	.	.			trans	-82.4	129.4	170.1	-64.9	167	0	0	0	108.8	Y133 A496 D497 M500 D549	Y133-L547 HydrophobicContact CD1-CD1 3.64Å; Y133-L547 HydrophobicContact CE1-CB 4.39Å; Y133-L547 HydrophobicContact CE1-CD1 3.58Å; Y133-L547 HydrophobicContact CE1-CG 4.16Å; A496-L547 VanDerWaalsContact C-CD2 3.48Å; A496-L547 HydrophobicContact CB-CD2 4.31Å; A496-L547 WeakPolarHBondContact O-CD2 3.37Å; D497-L547 WeakPolarHBondContact OD1-CD1 3.45Å; M500-L547 HydrophobicContact SD-CD2 4.43Å; L547-D549 PolarHBondContact O-N 3.23Å; L547-D549 VanDerWaalsContact O-N 3.16Å
548	Y	67.3	Low	60.4	Low	26 Å²	26	73.5 Å²	73.5	10%	0.102	37%	0.374	C	S	.	.			trans	-73.4	108.4	172.5	175.8	-121.3	0	0	0	109.3	N463 R464 Y467 W489 P550 D553	N463-Y548 WeakPolarHBondContact OD1-CB 3.35Å; N463-Y548 PolarHBondContact OD1-N 3.38Å; R464-Y548 HydrophobicContact CB-CD1 4.48Å; R464-Y548 HydrophobicContact CB-CG 4.41Å; R464-Y548 HydrophobicContact CG-CD1 3.87Å; R464-Y548 HydrophobicContact CG-CD2 3.61Å; R464-Y548 HydrophobicContact CG-CE1 4.38Å; R464-Y548 HydrophobicContact CG-CE2 4.2Å; R464-Y548 HydrophobicContact CG-CG 3.42Å; R464-Y548 VanDerWaalsContact CG-CG 3.42Å; Y467-Y548 HydrophobicContact CD1-CD1 4.04Å; Y467-Y548 AromaticContact CD1-CE1 3.44Å; Y467-Y548 HydrophobicContact CD1-CE1 3.44Å; Y467-Y548 VanDerWaalsContact CD1-CE1 3.44Å; Y467-Y548 HydrophobicContact CD2-CD1 4.26Å; Y467-Y548 HydrophobicContact CD2-CE1 4.21Å; Y467-Y548 AromaticContact CE1-CE1 3.89Å; Y467-Y548 HydrophobicContact CE1-CE1 3.89Å; Y467-Y548 AromaticContact CG-CD1 3.7Å; Y467-Y548 HydrophobicContact CG-CD1 3.7Å; Y467-Y548 AromaticContact CG-CE1 3.58Å; Y467-Y548 HydrophobicContact CG-CE1 3.58Å; W489-Y548 PolarHBondContact NE1-O 2.76Å; Y548-P550 HydrophobicContact CE1-CB 4.11Å; Y548-D553 VanDerWaalsContact CE2-OD2 3.27Å; Y548-D553 WeakPolarHBondContact CE2-OD2 3.48Å; Y548-D553 PolarHBondContact OH-OD2 3.04Å
549	D	69.6	Low	58.4	Low	24 Å²	24	78.4 Å²	78.4	13%	0.128	40%	0.396	C	S	.	.			trans	-102.1	107.8	171.9	-161.3	-37.2	0	0	0	109.2	R494 L547 S551 V552	R494-D549 IonicContact CZ-OD2 3.63Å; R494-D549 IonicContact NH1-OD2 2.74Å; R494-D549 PolarHBondContact NH1-OD2 3.26Å; R494-D549 IonicContact NH2-OD2 3.73Å; L547-D549 PolarHBondContact O-N 3.23Å; L547-D549 VanDerWaalsContact O-N 3.16Å; D549-S551 VanDerWaalsContact CG-OG 3.28Å; D549-S551 PolarHBondContact O-N 2.91Å; D549-S551 VanDerWaalsContact O-N 3.12Å; D549-S551 WeakPolarHBondContact OD1-CB 3.49Å; D549-S551 PolarHBondContact OD1-N 3.15Å; D549-S551 VanDerWaalsContact OD1-N 3.07Å; D549-S551 PolarHBondContact OD1-OG 3.49Å; D549-V552 HydrophobicContact CB-CG2 4.04Å; D549-V552 PolarHBondContact O-N 3.48Å
550	P	68.3	Low	56.7	Low	3 Å²	3	90.4 Å²	90.4	2%	0.019	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-63.1	-21.1	-177.5	29.7	-38.8	0	0	0	112.3	Y467 T490 Y548 V552 D553 Y556	Y467-P550 HydrophobicContact CD2-CG 4.44Å; Y467-P550 HydrophobicContact CE1-CB 4.31Å; Y467-P550 HydrophobicContact CE2-CB 4.02Å; Y467-P550 HydrophobicContact CE2-CG 3.61Å; T490-P550 HydrophobicContact CG2-CG 3.99Å; Y548-P550 HydrophobicContact CE1-CB 4.11Å; P550-V552 PolarHBondContact O-N 3.14Å; P550-D553 PolarHBondContact O-N 3.27Å; P550-Y556 HydrophobicContact CB-CD2 4.03Å; P550-Y556 HydrophobicContact CB-CE2 3.9Å; P550-Y556 HydrophobicContact CG-CE2 4.07Å; P550-Y556 WeakPolarHBondContact O-CB 3.47Å; P550-Y556 WeakPolarHBondContact O-CD2 3.15Å
551	S	62.8	Low	56	Low	43 Å²	43	84.7 Å²	84.7	30%	0.301	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-67.5	-13.7	-179.4	66.5	0	0	0	0	114.3	D549	D549-S551 VanDerWaalsContact CG-OG 3.28Å; D549-S551 PolarHBondContact O-N 2.91Å; D549-S551 VanDerWaalsContact O-N 3.12Å; D549-S551 WeakPolarHBondContact OD1-CB 3.49Å; D549-S551 PolarHBondContact OD1-N 3.15Å; D549-S551 VanDerWaalsContact OD1-N 3.07Å; D549-S551 PolarHBondContact OD1-OG 3.49Å
552	V	53.1	Low	55.2	Low	113 Å²	113	80.8 Å²	80.8	69%	0.685	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-95.1	-18.6	-178.3	-168.8	0	0	0	0	111.8	D549 P550	D549-V552 HydrophobicContact CB-CG2 4.04Å; D549-V552 PolarHBondContact O-N 3.48Å; P550-V552 PolarHBondContact O-N 3.14Å
553	D	55.8	Low	54.4	Low	59 Å²	59	84.9 Å²	84.9	32%	0.316	44%	0.437	S	S	.	.	S	Bend	trans	-71.4	134.6	177.4	-86	-11.1	0	0	0	109.9	R464 Y548 P550 D555 Y556	R464-D553 IonicContact CZ-OD2 3.8Å; R464-D553 IonicContact NH1-OD1 2.78Å; R464-D553 IonicContact NH1-OD2 3.22Å; R464-D553 PolarHBondContact NH1-OD2 3.25Å; R464-D553 IonicContact NH2-OD1 3.94Å; R464-D553 IonicContact NH2-OD2 3.91Å; Y548-D553 VanDerWaalsContact CE2-OD2 3.27Å; Y548-D553 WeakPolarHBondContact CE2-OD2 3.48Å; Y548-D553 PolarHBondContact OH-OD2 3.04Å; P550-D553 PolarHBondContact O-N 3.27Å; D553-D555 PolarHBondContact O-N 3.43Å; D553-Y556 VanDerWaalsContact O-CB 3.25Å; D553-Y556 WeakPolarHBondContact O-CB 3.17Å; D553-Y556 PolarHBondContact O-N 3.25Å
554	A	47.1	Very low	54.1	Low	117 Å²	117	85.2 Å²	85.2	97%	0.967	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.3	-173.5	0	0	0	0	0	114.1	Y556	A554-Y556 VanDerWaalsContact C-N 3.34Å
555	D	50.2	Low	53.6	Low	149 Å²	149	90 Å²	90	80%	0.797	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	16.7	-179.5	-146.2	16	0	0	0	112.3	D553 D557	D553-D555 PolarHBondContact O-N 3.43Å; D555-D557 PolarHBondContact O-N 3.34Å
556	Y	39.9	Very low	53.5	Low	70 Å²	70	91.5 Å²	91.5	28%	0.275	47%	0.47	S	S	.	.			trans	-69.1	84.7	176.2	-169.8	-103.5	0	0	0	110.2	K486 P550 D553 A554 E558	K486-Y556 VanDerWaalsContact CE-CE2 3.43Å; K486-Y556 VanDerWaalsContact CE-CZ 3.46Å; K486-Y556 WeakPolarHBondContact CE-OH 3.38Å; K486-Y556 PolarHBondContact NZ-OH 3.33Å; K486-Y556 VanDerWaalsContact NZ-OH 3.08Å; P550-Y556 HydrophobicContact CB-CD2 4.03Å; P550-Y556 HydrophobicContact CB-CE2 3.9Å; P550-Y556 HydrophobicContact CG-CE2 4.07Å; P550-Y556 WeakPolarHBondContact O-CB 3.47Å; P550-Y556 WeakPolarHBondContact O-CD2 3.15Å; D553-Y556 VanDerWaalsContact O-CB 3.25Å; D553-Y556 WeakPolarHBondContact O-CB 3.17Å; D553-Y556 PolarHBondContact O-N 3.25Å; A554-Y556 VanDerWaalsContact C-N 3.34Å; Y556-E558 HydrophobicContact CD1-CG 4.15Å; Y556-E558 HydrophobicContact CE1-CG 4.15Å; Y556-E558 PolarHBondContact O-N 3.41Å
557	D	44.7	Very low	53.1	Low	94 Å²	94	91.2 Å²	91.2	50%	0.503	48%	0.476	S	S	.	.			trans	-56.2	100.3	169.8	-106.7	-16.2	0	0	0	108.8	D555 K559	D555-D557 PolarHBondContact O-N 3.34Å; D557-K559 HydrophobicContact CB-CG 4.34Å; D557-K559 PolarHBondContact O-N 3.48Å; D557-K559 IonicContact OD1-NZ 3.88Å; D557-K559 WeakPolarHBondContact OD2-CE 3.47Å; D557-K559 IonicContact OD2-NZ 3.98Å; D557-K559 PolarHBondContact OD2-NZ 3.5Å
558	E	44.1	Very low	52	Low	133 Å²	133	96.9 Å²	96.9	62%	0.621	51%	0.506	S	S	*	.			trans	-70.1	54.6	157.7	-73.4	-158.4	154.5	0	0	109.7	Y556 K560	Y556-E558 HydrophobicContact CD1-CG 4.15Å; Y556-E558 HydrophobicContact CE1-CG 4.15Å; Y556-E558 PolarHBondContact O-N 3.41Å; E558-K560 PolarHBondContact O-N 3.4Å
559	K	39.6	Very low	50.7	Low	168 Å²	168	102.8 Å²	102.8	73%	0.73	54%	0.54	S	S	*	.			trans	-72.5	90.6	163.1	-78.1	-179.8	-179.5	134.1	0	107.4	D557	D557-K559 HydrophobicContact CB-CG 4.34Å; D557-K559 PolarHBondContact O-N 3.48Å; D557-K559 IonicContact OD1-NZ 3.88Å; D557-K559 WeakPolarHBondContact OD2-CE 3.47Å; D557-K559 IonicContact OD2-NZ 3.98Å; D557-K559 PolarHBondContact OD2-NZ 3.5Å
560	K	33.8	Very low	49	Very low	261 Å²	261	110 Å²	110	100%	1.135	58%	0.577	S	S	*	*			trans	-52.9	0	169.2	-98.1	176.6	178.1	161.1	0	113.1	E558	E558-K560 PolarHBondContact O-N 3.4Å

Retrieved 560 of 560 residues in 363.1 ms (Link to these results)

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