X2JGL7_DROME Loading...

Spermine synthase, isoform D AlphaSync

AlphaFold DB , UniProt , Accession X2JGL7, Species DROME (Drosophila melanogaster, Fruit fly), Gene Sms, Length 458 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	82.2	Confident	93.9	Very high	114 Å²	114	29.3 Å²	29.3	56%	0.562	17%	0.166	S	C	*	.				0	148.5	0	-64.3	167.3	-75.1	0	0	105.9	F83 D86 G123	M1-F83 HydrophobicContact CB-CE2 3.86Å; M1-F83 HydrophobicContact CB-CZ 3.72Å; M1-F83 HydrophobicContact CG-CZ 3.92Å; M1-F83 HydrophobicContact SD-CZ 3.79Å; M1-D86 VanDerWaalsContact CA-OD1 3.3Å; M1-D86 WeakPolarHBondContact CA-OD1 3.36Å; M1-D86 WeakPolarHBondContact CG-OD2 2.88Å; M1-D86 PolarHBondContact N-OD1 3.1Å; M1-D86 PolarHBondContact N-OD2 3.43Å; M1-G123 WeakPolarHBondContact O-CA 3.46Å
2	A	87.2	Confident	94.1	Very high	13 Å²	13	27.2 Å²	27.2	11%	0.107	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	150.6	178.1	0	0	0	0	0	111.2	L84 K120 R121	A2-L84 PolarHBondContact N-O 3.05Å; A2-L84 VanDerWaalsContact N-O 3.12Å; A2-L84 PolarHBondContact O-N 3.48Å; A2-K120 HydrophobicContact CB-CB 4.17Å; A2-R121 CarbonylContact C-O 3.49Å; A2-R121 WeakPolarHBondContact CA-O 3.46Å
3	A	91.9	Very high	94.2	Very high	26 Å²	26	31 Å²	31	22%	0.215	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	126.3	160.6	0	0	0	0	0	108.3	E81 R121	A3-E81 HydrophobicContact CB-CG 4.25Å; A3-R121 HydrophobicContact CB-CB 4.37Å; A3-R121 PolarHBondContact N-O 3.22Å; A3-R121 PolarHBondContact O-N 3.19Å
4	Q	93.2	Very high	94.2	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.037	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.1	171.1	-70.9	-70.6	-9.2	0	0	108.1	E81 Y82 L84	Q4-E81 VanDerWaalsContact O-CA 3.28Å; Q4-E81 WeakPolarHBondContact O-CA 3.27Å; Q4-Y82 HydrophobicContact CB-CD1 4.04Å; Q4-Y82 HydrophobicContact CB-CD2 4.26Å; Q4-Y82 HydrophobicContact CB-CE1 3.6Å; Q4-Y82 HydrophobicContact CB-CE2 3.84Å; Q4-Y82 HydrophobicContact CB-CG 4.35Å; Q4-Y82 HydrophobicContact CG-CE1 4.48Å; Q4-Y82 HydrophobicContact CG-CE2 3.95Å; Q4-Y82 PolarHBondContact N-O 2.95Å; Q4-Y82 PolarHBondContact O-N 3.23Å; Q4-L84 HydrophobicContact CG-CB 3.63Å; Q4-L84 HydrophobicContact CG-CD2 3.87Å; Q4-L84 HydrophobicContact CG-CG 4.37Å; Q4-L84 VanDerWaalsContact NE2-CD2 3.26Å
5	T	95.3	Very high	94.3	Very high	9 Å²	9	44.1 Å²	44.1	6%	0.055	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.1	175.7	-54.6	0	0	0	0	109.5	L7 E81 P118 I119 R121	T5-L7 HydrophobicContact CG2-CD2 3.68Å; T5-L7 HydrophobicContact CG2-CG 4.18Å; T5-E81 PolarHBondContact OG1-OE2 3.26Å; T5-E81 VanDerWaalsContact OG1-OE2 3.04Å; T5-P118 WeakPolarHBondContact O-CA 3.44Å; T5-I119 PolarHBondContact N-O 2.75Å; T5-I119 PolarHBondContact O-N 2.86Å; T5-R121 VanDerWaalsContact OG1-CD 3.31Å; T5-R121 WeakPolarHBondContact OG1-CD 3.48Å
6	I	95.5	Very high	94.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.3	173.3	-47.9	170.4	0	0	0	108	F8 N79 V80 Y82 I92 M97 P118	I6-F8 HydrophobicContact CB-CE2 3.89Å; I6-F8 HydrophobicContact CG2-CD2 4.02Å; I6-F8 HydrophobicContact CG2-CE2 3.28Å; I6-F8 HydrophobicContact CG2-CZ 3.58Å; I6-N79 WeakPolarHBondContact O-CA 3.48Å; I6-V80 HydrophobicContact CB-CB 4.41Å; I6-V80 PolarHBondContact N-O 2.8Å; I6-V80 PolarHBondContact O-N 2.82Å; I6-Y82 HydrophobicContact CD1-CE1 3.83Å; I6-Y82 HydrophobicContact CG1-CE1 4.32Å; I6-I92 HydrophobicContact CD1-CB 3.84Å; I6-I92 HydrophobicContact CD1-CD1 3.84Å; I6-I92 HydrophobicContact CD1-CG1 4.39Å; I6-I92 HydrophobicContact CD1-CG2 3.86Å; I6-M97 HydrophobicContact CD1-CG 4.05Å; I6-M97 HydrophobicContact CD1-SD 3.7Å; I6-M97 HydrophobicContact CG1-SD 4.11Å; I6-M97 HydrophobicContact CG2-CG 4.23Å; I6-M97 HydrophobicContact CG2-SD 3.6Å; I6-M97 VanDerWaalsContact CG2-SD 3.6Å; I6-P118 HydrophobicContact CG1-CB 4.19Å; I6-P118 HydrophobicContact CG1-CG 4.16Å
7	L	96.4	Very high	94.3	Very high	46 Å²	46	42.8 Å²	42.8	24%	0.241	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128	-176.1	-56.1	171.3	0	0	0	109	T5 N79 Y115 L116	T5-L7 HydrophobicContact CG2-CD2 3.68Å; T5-L7 HydrophobicContact CG2-CG 4.18Å; L7-N79 HydrophobicContact CD2-CB 4.11Å; L7-N79 WeakPolarHBondContact CD2-OD1 3.47Å; L7-Y115 CarbonylContact O-C 3.53Å; L7-Y115 VanDerWaalsContact O-CA 3.22Å; L7-Y115 WeakPolarHBondContact O-CA 3.36Å; L7-L116 HydrophobicContact CB-CB 4.2Å; L7-L116 HydrophobicContact CB-CD1 4.04Å; L7-L116 HydrophobicContact CB-CG 4.21Å; L7-L116 HydrophobicContact CD1-CD1 3.87Å; L7-L116 PolarHBondContact O-N 3Å
8	F	97.6	Very high	94.2	Very high	1 Å²	1	43.3 Å²	43.3	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.6	176.5	-59.4	-102.5	0	0	0	110.2	I6 F10 T77 L78 V80 M97 M100 K114 Y115	I6-F8 HydrophobicContact CB-CE2 3.89Å; I6-F8 HydrophobicContact CG2-CD2 4.02Å; I6-F8 HydrophobicContact CG2-CE2 3.28Å; I6-F8 HydrophobicContact CG2-CZ 3.58Å; F8-F10 HydrophobicContact CB-CE2 3.7Å; F8-F10 HydrophobicContact CB-CZ 4.26Å; F8-T77 CarbonylContact O-C 3.52Å; F8-T77 WeakPolarHBondContact O-CA 3.44Å; F8-L78 HydrophobicContact CB-CB 4.15Å; F8-L78 HydrophobicContact CB-CD2 4.48Å; F8-L78 HydrophobicContact CD2-CD2 4.25Å; F8-L78 HydrophobicContact CD2-CG 4.49Å; F8-L78 HydrophobicContact CG-CD2 4.48Å; F8-L78 PolarHBondContact N-O 2.92Å; F8-L78 PolarHBondContact O-N 3.35Å; F8-V80 HydrophobicContact CD2-CG2 4.46Å; F8-V80 HydrophobicContact CE2-CG2 4.03Å; F8-M97 HydrophobicContact CE1-CB 4.39Å; F8-M97 HydrophobicContact CZ-CB 4.23Å; F8-M97 HydrophobicContact CZ-CG 4.23Å; F8-M100 HydrophobicContact CE1-CB 4.49Å; F8-M100 HydrophobicContact CE1-CG 4.35Å; F8-M100 HydrophobicContact CE1-SD 3.99Å; F8-M100 HydrophobicContact CE2-SD 3.98Å; F8-M100 HydrophobicContact CZ-SD 3.58Å; F8-M100 VanDerWaalsContact CZ-SD 3.58Å; F8-K114 CarbonylContact C-O 3.54Å; F8-K114 WeakPolarHBondContact CA-O 3.4Å; F8-Y115 VanDerWaalsContact CD1-CB 3.44Å; F8-Y115 HydrophobicContact CD1-CG 4.48Å; F8-Y115 HydrophobicContact CE1-CG 4.23Å
9	D	97.4	Very high	94.2	Very high	53 Å²	53	45.5 Å²	45.5	28%	0.283	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.3	179.2	-57.9	-40.8	0	0	0	110.1	S113 K114	D9-S113 CarbonylContact O-C 3.43Å; D9-S113 WeakPolarHBondContact O-CA 3.42Å; D9-K114 PolarHBondContact N-O 3.4Å; D9-K114 PolarHBondContact O-N 3.02Å
10	F	98	Very high	94.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	126.3	176	-58	-90.2	0	0	0	110	F8 L12 L76 E101 L104 R112	F8-F10 HydrophobicContact CB-CE2 3.7Å; F8-F10 HydrophobicContact CB-CZ 4.26Å; F10-L12 HydrophobicContact CB-CD2 4.08Å; F10-L76 HydrophobicContact CB-CB 4.21Å; F10-L76 HydrophobicContact CB-CD2 4.39Å; F10-L76 HydrophobicContact CB-CG 4.42Å; F10-L76 HydrophobicContact CD2-CD2 4.1Å; F10-L76 HydrophobicContact CD2-CG 4.13Å; F10-L76 HydrophobicContact CG-CD2 4.47Å; F10-L76 PolarHBondContact N-O 3.27Å; F10-L76 PolarHBondContact O-N 2.87Å; F10-E101 HydrophobicContact CE1-CG 4.39Å; F10-L104 HydrophobicContact CD1-CB 4.35Å; F10-L104 HydrophobicContact CE1-CB 3.53Å; F10-L104 HydrophobicContact CE1-CD1 4.48Å; F10-L104 HydrophobicContact CE2-CB 4.36Å; F10-L104 HydrophobicContact CE2-CD1 3.92Å; F10-L104 HydrophobicContact CZ-CB 3.54Å; F10-L104 HydrophobicContact CZ-CD1 3.62Å; F10-L104 HydrophobicContact CZ-CG 4.23Å; F10-R112 CarbonylContact C-O 3.53Å; F10-R112 WeakPolarHBondContact CA-O 3.31Å
11	T	98	Very high	94.3	Very high	52 Å²	52	52.7 Å²	52.7	32%	0.319	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.4	169	-52.5	0	0	0	0	108.5	G74 S110 D111 R112	T11-G74 CarbonylContact C-O 3.51Å; T11-G74 WeakPolarHBondContact CA-O 3.23Å; T11-S110 CarbonylContact O-C 3.51Å; T11-S110 WeakPolarHBondContact O-CA 3.36Å; T11-S110 WeakPolarHBondContact O-CB 3.45Å; T11-S110 PolarHBondContact O-OG 3.47Å; T11-D111 HydrophobicContact CG2-CB 4.5Å; T11-D111 PolarHBondContact O-N 3.14Å; T11-R112 PolarHBondContact N-O 3.47Å
12	L	96.9	Very high	94.9	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	26%	0.257	C	S	.	.			trans	-112	160.3	-178.5	-49.7	-171.5	0	0	0	109.2	F10 K14 T17 V26 G74 L76 F108	F10-L12 HydrophobicContact CB-CD2 4.08Å; L12-K14 PolarHBondContact O-N 3.02Å; L12-T17 HydrophobicContact CB-CG2 4.38Å; L12-T17 HydrophobicContact CD1-CG2 4.04Å; L12-V26 HydrophobicContact CD1-CG1 3.79Å; L12-V26 HydrophobicContact CD1-CG2 4.11Å; L12-G74 PolarHBondContact N-O 2.84Å; L12-G74 VanDerWaalsContact O-CA 3.31Å; L12-G74 WeakPolarHBondContact O-CA 3.38Å; L12-L76 HydrophobicContact CD1-CB 4.3Å; L12-F108 HydrophobicContact CD1-CB 4.41Å; L12-F108 HydrophobicContact CD1-CG 4.44Å; L12-F108 HydrophobicContact CD2-CB 3.41Å; L12-F108 VanDerWaalsContact CD2-CB 3.41Å; L12-F108 HydrophobicContact CD2-CD2 4.33Å; L12-F108 HydrophobicContact CD2-CG 4.02Å
13	D	95.5	Very high	95.4	Very high	77 Å²	77	47.7 Å²	47.7	41%	0.412	25%	0.252	S	S	.	.			trans	-54	132.4	164.2	-169.8	-28.8	0	0	0	109.3	D15 K16	D13-D15 PolarHBondContact O-N 3.42Å; D13-D15 PolarHBondContact OD1-N 2.96Å; D13-K16 HydrophobicContact CB-CD 4.13Å; D13-K16 HydrophobicContact CB-CG 4.12Å; D13-K16 WeakPolarHBondContact O-CB 3.18Å; D13-K16 PolarHBondContact O-N 3.41Å
14	K	93.9	Very high	95.6	Very high	132 Å²	132	50 Å²	50	57%	0.574	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-56.7	-37.4	-178.8	-67.6	-178.9	179	178.4	0	111.1	L12 K16 T17 A18	L12-K14 PolarHBondContact O-N 3.02Å; K14-K16 PolarHBondContact O-N 3.4Å; K14-T17 CarbonylContact O-C 3.54Å; K14-T17 PolarHBondContact O-N 3.08Å; K14-T17 PolarHBondContact O-OG1 2.68Å; K14-T17 VanDerWaalsContact O-OG1 3.08Å; K14-A18 WeakPolarHBondContact O-CB 3.35Å; K14-A18 PolarHBondContact O-N 3.26Å
15	D	95	Very high	95.7	Very high	126 Å²	126	55 Å²	55	67%	0.674	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-63.8	-26.3	-179.5	-68.4	-10.9	0	0	0	111.8	D13 T17	D13-D15 PolarHBondContact O-N 3.42Å; D13-D15 PolarHBondContact OD1-N 2.96Å; D15-T17 PolarHBondContact O-N 2.65Å
16	K	94.6	Very high	95.8	Very high	66 Å²	66	54.9 Å²	54.9	29%	0.287	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-75.3	-5.1	174.2	-62.4	177.8	-172.7	168.8	0	113.4	D13 K14 A22 V26 F108 D109	D13-K16 HydrophobicContact CB-CD 4.13Å; D13-K16 HydrophobicContact CB-CG 4.12Å; D13-K16 WeakPolarHBondContact O-CB 3.18Å; D13-K16 PolarHBondContact O-N 3.41Å; K14-K16 PolarHBondContact O-N 3.4Å; K16-A22 CarbonylContact O-C 3.6Å; K16-A22 VanDerWaalsContact O-C 3.3Å; K16-A22 WeakPolarHBondContact O-CB 3.2Å; K16-V26 HydrophobicContact CB-CG2 4.36Å; K16-V26 VanDerWaalsContact O-CG2 3.29Å; K16-V26 WeakPolarHBondContact O-CG2 3.34Å; K16-F108 PolarHBondContact NZ-O 2.87Å; K16-D109 IonicContact NZ-OD2 2.54Å; K16-D109 PolarHBondContact NZ-OD2 3.08Å
17	T	94.9	Very high	95.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.8	-3.6	-177.5	63.2	0	0	0	0	114.3	L12 K14 D15 D19 R23 I70 F71 Q72 G74	L12-T17 HydrophobicContact CB-CG2 4.38Å; L12-T17 HydrophobicContact CD1-CG2 4.04Å; K14-T17 CarbonylContact O-C 3.54Å; K14-T17 PolarHBondContact O-N 3.08Å; K14-T17 PolarHBondContact O-OG1 2.68Å; K14-T17 VanDerWaalsContact O-OG1 3.08Å; D15-T17 PolarHBondContact O-N 2.65Å; T17-D19 PolarHBondContact O-N 3.19Å; T17-R23 VanDerWaalsContact O-CG 3.24Å; T17-R23 WeakPolarHBondContact O-CG 3.4Å; T17-R23 PolarHBondContact O-NH1 3.19Å; T17-I70 HydrophobicContact CG2-CG2 3.65Å; T17-F71 WeakPolarHBondContact CB-O 3.33Å; T17-F71 PolarHBondContact OG1-O 2.85Å; T17-Q72 WeakPolarHBondContact O-CA 3.3Å; T17-Q72 PolarHBondContact OG1-O 2.85Å; T17-G74 VanDerWaalsContact OG1-CA 3.3Å; T17-G74 WeakPolarHBondContact OG1-CA 3.35Å; T17-G74 PolarHBondContact OG1-N 3.2Å
18	A	92.9	Very high	95.8	Very high	52 Å²	52	59.5 Å²	59.5	43%	0.43	30%	0.303	S	S	.	.	S	Bend	trans	-63.7	-42.9	-169.4	0	0	0	0	0	112.7	K14 R23	K14-A18 WeakPolarHBondContact O-CB 3.35Å; K14-A18 PolarHBondContact O-N 3.26Å; A18-R23 VanDerWaalsContact C-NH1 3.29Å; A18-R23 PolarHBondContact O-NH1 3.07Å
19	D	94.2	Very high	95.7	Very high	85 Å²	85	62.1 Å²	62.1	46%	0.455	32%	0.316	S	S	.	.	S	Bend	trans	-115.6	171.7	179.4	62.7	54.7	0	0	0	112.8	T17 E21 A22 R23	T17-D19 PolarHBondContact O-N 3.19Å; D19-E21 VanDerWaalsContact C-N 3.34Å; D19-E21 PolarHBondContact O-N 3.35Å; D19-E21 PolarHBondContact OD1-N 3.26Å; D19-E21 VanDerWaalsContact OD1-N 3.09Å; D19-A22 PolarHBondContact O-N 3.38Å; D19-A22 WeakPolarHBondContact OD1-CB 3.47Å; D19-A22 PolarHBondContact OD1-N 3.25Å; D19-R23 VanDerWaalsContact C-CZ 3.41Å; D19-R23 WeakPolarHBondContact O-CG 3.48Å; D19-R23 PolarHBondContact O-N 2.92Å; D19-R23 PolarHBondContact O-NH1 3.1Å; D19-R23 VanDerWaalsContact O-NH1 3.15Å
20	E	95	Very high	95.7	Very high	103 Å²	103	59.7 Å²	59.7	48%	0.481	30%	0.303	S	S	.	.	H	α-helix	trans	-58.1	-45	-179.1	172.5	176.6	178.5	0	0	111.8	A22 R23 L24 E48	E20-A22 PolarHBondContact O-N 2.87Å; E20-R23 PolarHBondContact O-N 3.24Å; E20-L24 HydrophobicContact CG-CD1 3.85Å; E20-L24 HydrophobicContact CG-CG 4.35Å; E20-L24 WeakPolarHBondContact O-CB 3.48Å; E20-L24 VanDerWaalsContact O-CG 3.28Å; E20-L24 WeakPolarHBondContact O-CG 3.36Å; E20-L24 PolarHBondContact O-N 3.32Å; E20-E48 HydrophobicContact CG-CG 3.9Å
21	E	95.3	Very high	95.6	Very high	140 Å²	140	64.1 Å²	64.1	65%	0.654	32%	0.32	S	S	*	.	H	α-helix	trans	-62.9	-44.9	-177.6	-176.3	175.2	-179.5	0	0	110.9	D19 L24 Q25	D19-E21 VanDerWaalsContact C-N 3.34Å; D19-E21 PolarHBondContact O-N 3.35Å; D19-E21 PolarHBondContact OD1-N 3.26Å; D19-E21 VanDerWaalsContact OD1-N 3.09Å; E21-L24 PolarHBondContact O-N 3.45Å; E21-Q25 VanDerWaalsContact O-CG 3.23Å; E21-Q25 WeakPolarHBondContact O-CG 3.45Å; E21-Q25 PolarHBondContact O-N 2.9Å
22	A	95.1	Very high	95.4	Very high	17 Å²	17	65 Å²	65	14%	0.14	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-43.9	177.2	0	0	0	0	0	111.6	K16 D19 E20 L24 Q25 V26	K16-A22 CarbonylContact O-C 3.6Å; K16-A22 VanDerWaalsContact O-C 3.3Å; K16-A22 WeakPolarHBondContact O-CB 3.2Å; D19-A22 PolarHBondContact O-N 3.38Å; D19-A22 WeakPolarHBondContact OD1-CB 3.47Å; D19-A22 PolarHBondContact OD1-N 3.25Å; E20-A22 PolarHBondContact O-N 2.87Å; A22-L24 PolarHBondContact O-N 3.01Å; A22-Q25 WeakPolarHBondContact O-CB 3.46Å; A22-Q25 PolarHBondContact O-N 3.03Å; A22-V26 WeakPolarHBondContact O-CG2 3.3Å; A22-V26 PolarHBondContact O-N 3.38Å
23	R	96.2	Very high	95.2	Very high	5 Å²	5	65.7 Å²	65.7	2%	0.019	33%	0.326	C	S	.	.	H	α-helix	trans	-62.8	-41.9	175.5	-71.3	-173.2	-68	-81.7	5	112.5	T17 A18 D19 E20 Q25 V26 A27 E48 I70	T17-R23 VanDerWaalsContact O-CG 3.24Å; T17-R23 WeakPolarHBondContact O-CG 3.4Å; T17-R23 PolarHBondContact O-NH1 3.19Å; A18-R23 VanDerWaalsContact C-NH1 3.29Å; A18-R23 PolarHBondContact O-NH1 3.07Å; D19-R23 VanDerWaalsContact C-CZ 3.41Å; D19-R23 WeakPolarHBondContact O-CG 3.48Å; D19-R23 PolarHBondContact O-N 2.92Å; D19-R23 PolarHBondContact O-NH1 3.1Å; D19-R23 VanDerWaalsContact O-NH1 3.15Å; E20-R23 PolarHBondContact O-N 3.24Å; R23-Q25 VanDerWaalsContact C-N 3.33Å; R23-Q25 PolarHBondContact O-N 2.93Å; R23-V26 PolarHBondContact O-N 2.94Å; R23-A27 WeakPolarHBondContact O-CB 3.37Å; R23-A27 PolarHBondContact O-N 3.2Å; R23-E48 IonicContact CZ-OE1 2.69Å; R23-E48 IonicContact NE-OE1 3.7Å; R23-E48 PolarHBondContact NE-OE1 2.83Å; R23-E48 IonicContact NH2-OE1 2.78Å; R23-E48 PolarHBondContact NH2-OE1 2.88Å; R23-I70 HydrophobicContact CB-CG2 4.49Å; R23-I70 HydrophobicContact CG-CG2 4Å; R23-I70 WeakPolarHBondContact O-CD1 3.44Å
24	L	96.1	Very high	95.2	Very high	74 Å²	74	62 Å²	62	39%	0.387	31%	0.307	S	S	.	.	H	α-helix	trans	-66.9	-33.9	177.8	-69.8	175	0	0	0	112.1	E20 E21 A22 A27 K28 E48 Y54	E20-L24 HydrophobicContact CG-CD1 3.85Å; E20-L24 HydrophobicContact CG-CG 4.35Å; E20-L24 WeakPolarHBondContact O-CB 3.48Å; E20-L24 VanDerWaalsContact O-CG 3.28Å; E20-L24 WeakPolarHBondContact O-CG 3.36Å; E20-L24 PolarHBondContact O-N 3.32Å; E21-L24 PolarHBondContact O-N 3.45Å; A22-L24 PolarHBondContact O-N 3.01Å; L24-A27 PolarHBondContact O-N 2.82Å; L24-K28 WeakPolarHBondContact O-CB 3.36Å; L24-K28 PolarHBondContact O-N 2.75Å; L24-E48 HydrophobicContact CD2-CG 4.44Å; L24-Y54 HydrophobicContact CD2-CD2 3.94Å; L24-Y54 HydrophobicContact CD2-CE2 3.88Å
25	Q	96	Very high	95.1	Very high	112 Å²	112	59.2 Å²	59.2	52%	0.523	30%	0.295	S	S	.	.	H	α-helix	trans	-62.2	-48.6	171.1	-72.2	-97.6	-10.6	0	0	111.3	E21 A22 R23 A27 K28 I29	E21-Q25 VanDerWaalsContact O-CG 3.23Å; E21-Q25 WeakPolarHBondContact O-CG 3.45Å; E21-Q25 PolarHBondContact O-N 2.9Å; A22-Q25 WeakPolarHBondContact O-CB 3.46Å; A22-Q25 PolarHBondContact O-N 3.03Å; R23-Q25 VanDerWaalsContact C-N 3.33Å; R23-Q25 PolarHBondContact O-N 2.93Å; Q25-A27 PolarHBondContact O-N 2.88Å; Q25-K28 PolarHBondContact O-N 3.16Å; Q25-I29 WeakPolarHBondContact O-CG1 3.48Å; Q25-I29 PolarHBondContact O-N 2.89Å
26	V	96.6	Very high	94.8	Very high	7 Å²	7	59.4 Å²	59.4	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-60.7	-45.6	175.8	172.8	0	0	0	0	111	L12 K16 A22 R23 K28 I29 L30 I70 L76 F108	L12-V26 HydrophobicContact CD1-CG1 3.79Å; L12-V26 HydrophobicContact CD1-CG2 4.11Å; K16-V26 HydrophobicContact CB-CG2 4.36Å; K16-V26 VanDerWaalsContact O-CG2 3.29Å; K16-V26 WeakPolarHBondContact O-CG2 3.34Å; A22-V26 WeakPolarHBondContact O-CG2 3.3Å; A22-V26 PolarHBondContact O-N 3.38Å; R23-V26 PolarHBondContact O-N 2.94Å; V26-K28 VanDerWaalsContact C-N 3.31Å; V26-K28 PolarHBondContact O-N 3.01Å; V26-I29 PolarHBondContact O-N 3.24Å; V26-L30 WeakPolarHBondContact O-CB 3.16Å; V26-L30 PolarHBondContact O-N 3.46Å; V26-I70 HydrophobicContact CB-CD1 4.03Å; V26-I70 HydrophobicContact CG1-CD1 3.72Å; V26-I70 HydrophobicContact CG1-CG1 4.25Å; V26-I70 HydrophobicContact CG1-CG2 4.48Å; V26-L76 HydrophobicContact CG1-CD2 4.35Å; V26-F108 HydrophobicContact CG1-CD1 4.1Å; V26-F108 HydrophobicContact CG1-CE1 3.74Å; V26-F108 HydrophobicContact CG1-CZ 4.31Å
27	A	96.8	Very high	94.4	Very high	8 Å²	8	59.2 Å²	59.2	7%	0.066	29%	0.294	C	S	.	.	H	α-helix	trans	-60.5	-39.5	177.9	0	0	0	0	0	112.5	R23 L24 Q25 L30 R31 Y54 I70	R23-A27 WeakPolarHBondContact O-CB 3.37Å; R23-A27 PolarHBondContact O-N 3.2Å; L24-A27 PolarHBondContact O-N 2.82Å; Q25-A27 PolarHBondContact O-N 2.88Å; A27-L30 PolarHBondContact O-N 3.17Å; A27-R31 WeakPolarHBondContact O-CB 3.37Å; A27-R31 PolarHBondContact O-N 3.2Å; A27-Y54 HydrophobicContact CB-CD1 3.93Å; A27-Y54 HydrophobicContact CB-CD2 4.31Å; A27-Y54 HydrophobicContact CB-CE1 3.53Å; A27-Y54 HydrophobicContact CB-CE2 3.94Å; A27-Y54 HydrophobicContact CB-CG 4.3Å; A27-I70 HydrophobicContact CB-CD1 3.84Å
28	K	96.1	Very high	94.1	Very high	136 Å²	136	60.1 Å²	60.1	59%	0.591	30%	0.298	S	S	*	.	H	α-helix	trans	-65.2	-45.8	176.4	-176	-179.3	-179.8	-178.5	0	111.8	L24 Q25 V26 R31 N32	L24-K28 WeakPolarHBondContact O-CB 3.36Å; L24-K28 PolarHBondContact O-N 2.75Å; Q25-K28 PolarHBondContact O-N 3.16Å; V26-K28 VanDerWaalsContact C-N 3.31Å; V26-K28 PolarHBondContact O-N 3.01Å; K28-R31 PolarHBondContact O-N 3.16Å; K28-N32 PolarHBondContact O-N 3.26Å; K28-N32 PolarHBondContact O-ND2 2.87Å; K28-N32 PolarHBondContact O-OD1 3.36Å
29	I	96	Very high	93.9	Very high	55 Å²	55	63 Å²	63	28%	0.282	31%	0.312	S	S	.	.	H	α-helix	trans	-60.8	-48.5	175.6	-67	166	0	0	0	109.6	Q25 V26 R31 N32 E33 K107 F108	Q25-I29 WeakPolarHBondContact O-CG1 3.48Å; Q25-I29 PolarHBondContact O-N 2.89Å; V26-I29 PolarHBondContact O-N 3.24Å; I29-R31 PolarHBondContact O-N 2.72Å; I29-N32 PolarHBondContact O-N 3.28Å; I29-E33 WeakPolarHBondContact O-CG 3.23Å; I29-E33 PolarHBondContact O-N 2.88Å; I29-E33 VanDerWaalsContact O-N 3.09Å; I29-K107 HydrophobicContact CG2-CB 3.98Å; I29-F108 HydrophobicContact CB-CE1 3.78Å; I29-F108 HydrophobicContact CG2-CD1 4.04Å; I29-F108 HydrophobicContact CG2-CE1 3.5Å; I29-F108 VanDerWaalsContact CG2-CE1 3.5Å; I29-F108 HydrophobicContact CG2-CZ 4.13Å
30	L	96.6	Very high	93.9	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-53.1	-54.1	177.9	-178.5	58.2	0	0	0	111	V26 A27 N32 E33 L34 C68 L76 L78 L104 F108	V26-L30 WeakPolarHBondContact O-CB 3.16Å; V26-L30 PolarHBondContact O-N 3.46Å; A27-L30 PolarHBondContact O-N 3.17Å; L30-N32 VanDerWaalsContact C-N 3.35Å; L30-N32 PolarHBondContact O-N 3.12Å; L30-E33 PolarHBondContact O-N 2.75Å; L30-L34 HydrophobicContact CD1-CD1 4.11Å; L30-L34 HydrophobicContact CD1-CD2 4.39Å; L30-L34 HydrophobicContact CD1-CG 4.05Å; L30-L34 HydrophobicContact CG-CD1 3.91Å; L30-L34 HydrophobicContact CG-CG 4.24Å; L30-L34 VanDerWaalsContact O-CG 3.28Å; L30-L34 WeakPolarHBondContact O-CG 3.41Å; L30-L34 PolarHBondContact O-N 3.43Å; L30-C68 HydrophobicContact CD2-CB 3.65Å; L30-L76 HydrophobicContact CD2-CD1 3.91Å; L30-L76 HydrophobicContact CD2-CD2 4.35Å; L30-L78 HydrophobicContact CD1-CD2 4.41Å; L30-L78 HydrophobicContact CD2-CD1 4.49Å; L30-L104 HydrophobicContact CD1-CD1 3.98Å; L30-L104 HydrophobicContact CD1-CD2 3.86Å; L30-F108 HydrophobicContact CB-CZ 3.8Å; L30-F108 HydrophobicContact CD1-CE2 4.32Å; L30-F108 HydrophobicContact CD1-CZ 4.13Å
31	R	95.2	Very high	93.8	Very high	93 Å²	93	60.7 Å²	60.7	35%	0.351	30%	0.299	S	S	.	.	H	α-helix	trans	-57.2	-46.3	-179.3	-179.4	178.1	171.2	167	4.6	112.1	A27 K28 I29 E33 L34 E35 L58	A27-R31 WeakPolarHBondContact O-CB 3.37Å; A27-R31 PolarHBondContact O-N 3.2Å; K28-R31 PolarHBondContact O-N 3.16Å; I29-R31 PolarHBondContact O-N 2.72Å; R31-E33 VanDerWaalsContact C-N 3.28Å; R31-E33 PolarHBondContact O-N 2.82Å; R31-L34 PolarHBondContact O-N 3.5Å; R31-E35 HydrophobicContact CG-CG 4.32Å; R31-E35 WeakPolarHBondContact CG-OE1 3.28Å; R31-E35 IonicContact CZ-OE1 3.66Å; R31-E35 IonicContact NE-OE1 3.1Å; R31-E35 PolarHBondContact NE-OE1 3.37Å; R31-E35 IonicContact NH2-OE1 3.71Å; R31-E35 PolarHBondContact NH2-OE1 3.15Å; R31-E35 WeakPolarHBondContact O-CG 3.4Å; R31-E35 PolarHBondContact O-N 2.67Å; R31-L58 HydrophobicContact CG-CD2 4.35Å
32	N	94.5	Very high	93.8	Very high	71 Å²	71	59.7 Å²	59.7	38%	0.38	29%	0.294	S	S	.	.	H	α-helix	trans	-61.6	-35	179.6	-68.6	-10	0	0	0	112.9	K28 I29 L30 Q36	K28-N32 PolarHBondContact O-N 3.26Å; K28-N32 PolarHBondContact O-ND2 2.87Å; K28-N32 PolarHBondContact O-OD1 3.36Å; I29-N32 PolarHBondContact O-N 3.28Å; L30-N32 VanDerWaalsContact C-N 3.35Å; L30-N32 PolarHBondContact O-N 3.12Å; N32-Q36 PolarHBondContact O-NE2 2.97Å
33	E	93.8	Very high	93.8	Very high	18 Å²	18	61.8 Å²	61.8	8%	0.084	30%	0.303	C	S	.	.	H	α-helix	trans	-78	-34.3	176	-59.2	-51.9	141.9	0	0	111.8	I29 L30 R31 Q36 I103 L104 K107	I29-E33 WeakPolarHBondContact O-CG 3.23Å; I29-E33 PolarHBondContact O-N 2.88Å; I29-E33 VanDerWaalsContact O-N 3.09Å; L30-E33 PolarHBondContact O-N 2.75Å; R31-E33 VanDerWaalsContact C-N 3.28Å; R31-E33 PolarHBondContact O-N 2.82Å; E33-Q36 PolarHBondContact O-N 2.98Å; E33-Q36 PolarHBondContact OE2-NE2 3.1Å; E33-I103 HydrophobicContact CB-CG2 4.49Å; E33-I103 HydrophobicContact CG-CG2 4.3Å; E33-I103 WeakPolarHBondContact OE2-CG2 3.31Å; E33-L104 HydrophobicContact CB-CD2 3.67Å; E33-L104 HydrophobicContact CG-CD2 4.06Å; E33-K107 HydrophobicContact CG-CD 4.31Å; E33-K107 HydrophobicContact CG-CG 3.98Å; E33-K107 WeakPolarHBondContact OE1-CD 3.21Å; E33-K107 WeakPolarHBondContact OE1-CE 3.48Å; E33-K107 IonicContact OE1-NZ 3.43Å; E33-K107 PolarHBondContact OE1-NZ 2.78Å; E33-K107 IonicContact OE2-NZ 3.92Å
34	L	93.5	Very high	93.8	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-65.3	-41	173.6	-66.8	179.9	0	0	0	111.8	L30 R31 Q36 L37 F38 L41 I66 L78 M100	L30-L34 HydrophobicContact CD1-CD1 4.11Å; L30-L34 HydrophobicContact CD1-CD2 4.39Å; L30-L34 HydrophobicContact CD1-CG 4.05Å; L30-L34 HydrophobicContact CG-CD1 3.91Å; L30-L34 HydrophobicContact CG-CG 4.24Å; L30-L34 VanDerWaalsContact O-CG 3.28Å; L30-L34 WeakPolarHBondContact O-CG 3.41Å; L30-L34 PolarHBondContact O-N 3.43Å; R31-L34 PolarHBondContact O-N 3.5Å; L34-Q36 PolarHBondContact O-N 2.93Å; L34-L37 CarbonylContact O-C 3.59Å; L34-L37 PolarHBondContact O-N 3.25Å; L34-F38 HydrophobicContact CB-CD2 4.35Å; L34-F38 HydrophobicContact CD2-CD2 4.31Å; L34-F38 HydrophobicContact CD2-CE2 4.16Å; L34-F38 WeakPolarHBondContact O-CB 3.3Å; L34-F38 WeakPolarHBondContact O-CD2 3.13Å; L34-F38 PolarHBondContact O-N 2.85Å; L34-L41 HydrophobicContact CB-CD2 3.37Å; L34-L41 HydrophobicContact CD1-CD2 4.36Å; L34-I66 HydrophobicContact CD1-CG2 4.2Å; L34-L78 HydrophobicContact CD1-CD1 4.22Å; L34-L78 HydrophobicContact CD2-CD2 4.1Å; L34-M100 HydrophobicContact CD2-CE 3.15Å
35	E	92.4	Very high	93.8	Very high	73 Å²	73	66.9 Å²	66.9	34%	0.341	33%	0.332	S	S	.	.	H	α-helix	trans	-60.6	-25.5	178	-75.6	172.5	179.2	0	0	112.9	R31 F38 L41	R31-E35 HydrophobicContact CG-CG 4.32Å; R31-E35 WeakPolarHBondContact CG-OE1 3.28Å; R31-E35 IonicContact CZ-OE1 3.66Å; R31-E35 IonicContact NE-OE1 3.1Å; R31-E35 PolarHBondContact NE-OE1 3.37Å; R31-E35 IonicContact NH2-OE1 3.71Å; R31-E35 PolarHBondContact NH2-OE1 3.15Å; R31-E35 WeakPolarHBondContact O-CG 3.4Å; R31-E35 PolarHBondContact O-N 2.67Å; E35-F38 CarbonylContact O-C 3.56Å; E35-L41 HydrophobicContact CG-CB 4.28Å; E35-L41 HydrophobicContact CG-CD2 4.03Å
36	Q	88.2	Confident	93.8	Very high	130 Å²	130	64.2 Å²	64.2	61%	0.607	33%	0.325	S	S	*	.	H	α-helix	trans	-74.2	-28.8	174	-68.7	171.5	62.1	0	0	112.7	N32 E33 L34	N32-Q36 PolarHBondContact O-NE2 2.97Å; E33-Q36 PolarHBondContact O-N 2.98Å; E33-Q36 PolarHBondContact OE2-NE2 3.1Å; L34-Q36 PolarHBondContact O-N 2.93Å
37	L	86.2	Confident	93.7	Very high	61 Å²	61	67.6 Å²	67.6	32%	0.319	34%	0.342	S	S	.	.	H	α-helix	trans	-92.8	-28.8	179.4	-65.3	173.4	0	0	0	112.2	L34 M100	L34-L37 CarbonylContact O-C 3.59Å; L34-L37 PolarHBondContact O-N 3.25Å; L37-M100 HydrophobicContact CD1-CB 3.74Å; L37-M100 HydrophobicContact CD1-CE 4.26Å; L37-M100 HydrophobicContact CD1-CG 3.52Å; L37-M100 HydrophobicContact CD1-SD 4.04Å
38	F	90.5	Very high	93.5	Very high	19 Å²	19	69.4 Å²	69.4	8%	0.083	35%	0.349	C	S	.	.			trans	-126.7	87.5	-175.1	-59.7	-67.5	0	0	0	108.2	L34 E35 Q40 L41 E60 I66 V80 I92 M100	L34-F38 HydrophobicContact CB-CD2 4.35Å; L34-F38 HydrophobicContact CD2-CD2 4.31Å; L34-F38 HydrophobicContact CD2-CE2 4.16Å; L34-F38 WeakPolarHBondContact O-CB 3.3Å; L34-F38 WeakPolarHBondContact O-CD2 3.13Å; L34-F38 PolarHBondContact O-N 2.85Å; E35-F38 CarbonylContact O-C 3.56Å; F38-Q40 PolarHBondContact O-N 3.31Å; F38-L41 HydrophobicContact CB-CB 3.99Å; F38-L41 HydrophobicContact CB-CD1 4.13Å; F38-L41 HydrophobicContact CB-CG 4.48Å; F38-L41 WeakPolarHBondContact O-CB 3.45Å; F38-L41 PolarHBondContact O-N 2.87Å; F38-E60 WeakPolarHBondContact CA-OE2 3.21Å; F38-E60 HydrophobicContact CB-CB 4.08Å; F38-E60 HydrophobicContact CB-CG 3.99Å; F38-E60 VanDerWaalsContact CB-OE2 3.32Å; F38-E60 WeakPolarHBondContact CB-OE2 3.41Å; F38-E60 HydrophobicContact CD1-CB 4.12Å; F38-E60 HydrophobicContact CD1-CG 3.85Å; F38-E60 HydrophobicContact CG-CB 4.35Å; F38-E60 HydrophobicContact CG-CG 4.33Å; F38-I66 HydrophobicContact CD1-CD1 4.42Å; F38-I66 HydrophobicContact CD2-CD1 3.51Å; F38-I66 HydrophobicContact CE1-CD1 4.35Å; F38-I66 HydrophobicContact CE2-CD1 3.45Å; F38-I66 VanDerWaalsContact CE2-CD1 3.45Å; F38-I66 HydrophobicContact CG-CD1 4.01Å; F38-I66 HydrophobicContact CZ-CD1 3.89Å; F38-V80 HydrophobicContact CZ-CG1 4.13Å; F38-I92 HydrophobicContact CE1-CD1 4.14Å; F38-I92 HydrophobicContact CZ-CD1 4.07Å; F38-M100 HydrophobicContact CE2-CE 4.07Å
39	P	88.7	Confident	93.1	Very high	113 Å²	113	64.2 Å²	64.2	73%	0.734	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.9	-170	-23.4	35	0	0	0	115.5
40	Q	92.2	Very high	92.4	Very high	125 Å²	125	66.1 Å²	66.1	58%	0.584	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	24	177.7	-60.1	175.6	56.8	0	0	111.4	F38 E42 E60	F38-Q40 PolarHBondContact O-N 3.31Å; Q40-E42 PolarHBondContact O-N 3.37Å; Q40-E60 WeakPolarHBondContact CA-OE2 3.44Å; Q40-E60 PolarHBondContact N-OE1 2.83Å; Q40-E60 PolarHBondContact N-OE2 2.85Å
41	L	94.6	Very high	91.8	Very high	14 Å²	14	74 Å²	74	7%	0.073	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	122	-173.8	-171	72.8	0	0	0	110.6	L34 E35 F38 L58 H59 E60 I66	L34-L41 HydrophobicContact CB-CD2 3.37Å; L34-L41 HydrophobicContact CD1-CD2 4.36Å; E35-L41 HydrophobicContact CG-CB 4.28Å; E35-L41 HydrophobicContact CG-CD2 4.03Å; F38-L41 HydrophobicContact CB-CB 3.99Å; F38-L41 HydrophobicContact CB-CD1 4.13Å; F38-L41 HydrophobicContact CB-CG 4.48Å; F38-L41 WeakPolarHBondContact O-CB 3.45Å; F38-L41 PolarHBondContact O-N 2.87Å; L41-L58 HydrophobicContact CD1-CB 3.72Å; L41-L58 HydrophobicContact CD1-CD2 4.32Å; L41-L58 HydrophobicContact CD2-CD2 3.8Å; L41-L58 HydrophobicContact CG-CB 4.18Å; L41-L58 HydrophobicContact CG-CD2 3.96Å; L41-H59 WeakPolarHBondContact CA-O 3.3Å; L41-E60 HydrophobicContact CD1-CB 4.3Å; L41-E60 PolarHBondContact N-OE2 2.98Å; L41-I66 HydrophobicContact CD1-CD1 3.85Å
42	E	94.7	Very high	91.3	Very high	119 Å²	119	73.8 Å²	73.8	56%	0.556	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	142.5	177.7	-71.8	-178.9	-177.4	0	0	110.4	Q40 A44 L58 H59	Q40-E42 PolarHBondContact O-N 3.37Å; E42-A44 PolarHBondContact O-N 3.48Å; E42-L58 CarbonylContact O-C 3.51Å; E42-L58 WeakPolarHBondContact O-CA 3.02Å; E42-L58 WeakPolarHBondContact O-CB 3.47Å; E42-H59 WeakPolarHBondContact CB-NE2 3.32Å; E42-H59 PolarHBondContact N-O 3.39Å; E42-H59 PolarHBondContact O-N 3.49Å; E42-H59 IonicContact OE2-CE1 3.27Å; E42-H59 PolarHBondContact OE2-CE1 3.41Å; E42-H59 VanDerWaalsContact OE2-CE1 3.25Å; E42-H59 IonicContact OE2-NE2 3.76Å
43	L	95.3	Very high	91.3	Very high	62 Å²	62	70.4 Å²	70.4	33%	0.325	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	108.3	174.2	179	67.3	0	0	0	108.8	Y45 A56 L58	L43-Y45 WeakPolarHBondContact CD1-O 3.43Å; L43-A56 HydrophobicContact CD1-CB 3.9Å; L43-L58 HydrophobicContact CD1-CD2 4.38Å; L43-L58 HydrophobicContact CD1-CG 4.04Å
44	A	94.9	Very high	91.4	Very high	65 Å²	65	70.6 Å²	70.6	54%	0.537	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-39.6	176.6	0	0	0	0	0	112.4	E42 V57	E42-A44 PolarHBondContact O-N 3.48Å; A44-V57 PolarHBondContact N-O 2.96Å
45	Y	96.4	Very high	91.6	Very high	121 Å²	121	73.3 Å²	73.3	48%	0.475	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	142.6	-177.9	-179.1	-100.2	0	0	0	110.6	L43 M47 F55 A56 V57	L43-Y45 WeakPolarHBondContact CD1-O 3.43Å; Y45-M47 HydrophobicContact CE1-CB 3.93Å; Y45-M47 HydrophobicContact CE1-CG 3.92Å; Y45-M47 HydrophobicContact CE1-SD 4.24Å; Y45-F55 HydrophobicContact CD1-CD1 4.3Å; Y45-F55 HydrophobicContact CD1-CE1 4.36Å; Y45-F55 HydrophobicContact CE1-CD1 4.27Å; Y45-A56 CarbonylContact O-C 3.3Å; Y45-A56 VanDerWaalsContact O-CA 3.26Å; Y45-A56 WeakPolarHBondContact O-CA 3.45Å; Y45-V57 PolarHBondContact N-O 3.33Å; Y45-V57 VanDerWaalsContact N-O 3.12Å; Y45-V57 PolarHBondContact O-N 3.28Å
46	S	96	Very high	91.9	Very high	55 Å²	55	69.9 Å²	69.9	39%	0.385	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	151.4	161.9	58	0	0	0	0	110.4	F55	S46-F55 CarbonylContact C-O 3.54Å; S46-F55 VanDerWaalsContact CA-O 3.27Å; S46-F55 WeakPolarHBondContact CA-O 3.25Å
47	M	94.8	Very high	92.3	Very high	78 Å²	78	65.5 Å²	65.5	38%	0.384	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148.2	167.5	64.4	175.8	-174.3	0	0	109.7	Y45 Y54 F55	Y45-M47 HydrophobicContact CE1-CB 3.93Å; Y45-M47 HydrophobicContact CE1-CG 3.92Å; Y45-M47 HydrophobicContact CE1-SD 4.24Å; M47-Y54 WeakPolarHBondContact O-CA 3.39Å; M47-F55 HydrophobicContact CE-CB 3.61Å; M47-F55 HydrophobicContact CE-CD1 3.93Å; M47-F55 HydrophobicContact CE-CG 3.96Å; M47-F55 HydrophobicContact CG-CB 3.89Å; M47-F55 HydrophobicContact CG-CD1 4.3Å; M47-F55 PolarHBondContact N-O 3.27Å; M47-F55 PolarHBondContact O-N 3.3Å
48	E	92.3	Very high	92.8	Very high	46 Å²	46	62.9 Å²	62.9	22%	0.215	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.7	170.6	-158.3	-65.3	134.9	0	0	106.8	E20 R23 L24 Y54	E20-E48 HydrophobicContact CG-CG 3.9Å; R23-E48 IonicContact CZ-OE1 2.69Å; R23-E48 IonicContact NE-OE1 3.7Å; R23-E48 PolarHBondContact NE-OE1 2.83Å; R23-E48 IonicContact NH2-OE1 2.78Å; R23-E48 PolarHBondContact NH2-OE1 2.88Å; L24-E48 HydrophobicContact CD2-CG 4.44Å; E48-Y54 HydrophobicContact CB-CD2 4.32Å; E48-Y54 HydrophobicContact CG-CD2 4.31Å
49	S	88.1	Confident	93	Very high	28 Å²	28	64.6 Å²	64.6	20%	0.196	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	137.9	173.3	167.8	0	0	0	0	110.8	E51 N52 G53	S49-E51 PolarHBondContact O-N 2.93Å; S49-E51 PolarHBondContact OG-N 2.91Å; S49-N52 PolarHBondContact O-N 3.41Å; S49-N52 PolarHBondContact OG-N 2.94Å; S49-N52 PolarHBondContact OG-ND2 3.01Å; S49-G53 PolarHBondContact N-O 2.82Å; S49-G53 PolarHBondContact O-N 2.65Å
50	P	81.6	Confident	93.1	Very high	95 Å²	95	59.9 Å²	59.9	62%	0.617	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-10.2	171	-25.8	34.4	0	0	0	115.4	Q72	P50-Q72 PolarHBondContact O-NE2 3Å
51	E	84.8	Confident	92.6	Very high	168 Å²	168	56.8 Å²	56.8	79%	0.785	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-36.9	174.8	-64.9	-176.1	171.3	0	0	112.2	S49	S49-E51 PolarHBondContact O-N 2.93Å; S49-E51 PolarHBondContact OG-N 2.91Å
52	N	83.8	Confident	91.7	Very high	87 Å²	87	66 Å²	66	47%	0.465	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-9.7	-170.1	-61.4	-64	0	0	0	114.2	S49	S49-N52 PolarHBondContact O-N 3.41Å; S49-N52 PolarHBondContact OG-N 2.94Å; S49-N52 PolarHBondContact OG-ND2 3.01Å
53	G	93.6	Very high	91.1	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.01	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.5	-156.4	-171.8	0	0	0	0	0	112	S49 I70	S49-G53 PolarHBondContact N-O 2.82Å; S49-G53 PolarHBondContact O-N 2.65Å; G53-I70 WeakPolarHBondContact CA-O 3.42Å
54	Y	97.4	Very high	91	Very high	22 Å²	22	63 Å²	63	9%	0.086	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	139	176.7	178.1	-87.5	0	0	0	110.4	L24 A27 M47 E48 A56 R69 I70	L24-Y54 HydrophobicContact CD2-CD2 3.94Å; L24-Y54 HydrophobicContact CD2-CE2 3.88Å; A27-Y54 HydrophobicContact CB-CD1 3.93Å; A27-Y54 HydrophobicContact CB-CD2 4.31Å; A27-Y54 HydrophobicContact CB-CE1 3.53Å; A27-Y54 HydrophobicContact CB-CE2 3.94Å; A27-Y54 HydrophobicContact CB-CG 4.3Å; M47-Y54 WeakPolarHBondContact O-CA 3.39Å; E48-Y54 HydrophobicContact CB-CD2 4.32Å; E48-Y54 HydrophobicContact CG-CD2 4.31Å; Y54-A56 HydrophobicContact CE1-CB 3.58Å; Y54-R69 CarbonylContact O-C 3.59Å; Y54-R69 VanDerWaalsContact O-CA 3.32Å; Y54-R69 WeakPolarHBondContact O-CA 3.2Å; Y54-I70 HydrophobicContact CD1-CD1 3.74Å; Y54-I70 HydrophobicContact CD1-CG1 4.22Å; Y54-I70 HydrophobicContact CE1-CD1 4.48Å; Y54-I70 HydrophobicContact CG-CD1 4.19Å; Y54-I70 PolarHBondContact N-O 2.88Å; Y54-I70 PolarHBondContact O-N 2.97Å
55	F	97.3	Very high	91	Very high	58 Å²	58	62.9 Å²	62.9	25%	0.254	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	138	173.1	174.4	-100.2	0	0	0	109.6	Y45 S46 M47 V57 C68 R69	Y45-F55 HydrophobicContact CD1-CD1 4.3Å; Y45-F55 HydrophobicContact CD1-CE1 4.36Å; Y45-F55 HydrophobicContact CE1-CD1 4.27Å; S46-F55 CarbonylContact C-O 3.54Å; S46-F55 VanDerWaalsContact CA-O 3.27Å; S46-F55 WeakPolarHBondContact CA-O 3.25Å; M47-F55 HydrophobicContact CE-CB 3.61Å; M47-F55 HydrophobicContact CE-CD1 3.93Å; M47-F55 HydrophobicContact CE-CG 3.96Å; M47-F55 HydrophobicContact CG-CB 3.89Å; M47-F55 HydrophobicContact CG-CD1 4.3Å; M47-F55 PolarHBondContact N-O 3.27Å; M47-F55 PolarHBondContact O-N 3.3Å; F55-V57 HydrophobicContact CE1-CG2 3.55Å; F55-V57 HydrophobicContact CZ-CG2 3.73Å; F55-C68 WeakPolarHBondContact CA-O 3.13Å; F55-C68 WeakPolarHBondContact CD2-O 3.29Å; F55-R69 HydrophobicContact CD2-CB 4.35Å
56	A	97.4	Very high	91	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	149.5	172.9	0	0	0	0	0	112.6	L43 Y45 Y54 L58 T67 C68	L43-A56 HydrophobicContact CD1-CB 3.9Å; Y45-A56 CarbonylContact O-C 3.3Å; Y45-A56 VanDerWaalsContact O-CA 3.26Å; Y45-A56 WeakPolarHBondContact O-CA 3.45Å; Y54-A56 HydrophobicContact CE1-CB 3.58Å; A56-L58 HydrophobicContact CB-CD1 4.25Å; A56-T67 WeakPolarHBondContact O-CA 3.34Å; A56-C68 PolarHBondContact N-O 3.38Å; A56-C68 PolarHBondContact O-N 2.92Å
57	V	97.3	Very high	91.1	Very high	38 Å²	38	56.1 Å²	56.1	23%	0.23	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	115.5	169.5	-173.9	0	0	0	0	107	A44 Y45 F55 V65 T67	A44-V57 PolarHBondContact N-O 2.96Å; Y45-V57 PolarHBondContact N-O 3.33Å; Y45-V57 VanDerWaalsContact N-O 3.12Å; Y45-V57 PolarHBondContact O-N 3.28Å; F55-V57 HydrophobicContact CE1-CG2 3.55Å; F55-V57 HydrophobicContact CZ-CG2 3.73Å; V57-V65 HydrophobicContact CG1-CG1 3.89Å; V57-T67 HydrophobicContact CG2-CG2 4.34Å
58	L	96.7	Very high	91.2	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	155.7	170.7	-49.3	96.2	0	0	0	108.4	R31 L41 E42 L43 A56 I66	R31-L58 HydrophobicContact CG-CD2 4.35Å; L41-L58 HydrophobicContact CD1-CB 3.72Å; L41-L58 HydrophobicContact CD1-CD2 4.32Å; L41-L58 HydrophobicContact CD2-CD2 3.8Å; L41-L58 HydrophobicContact CG-CB 4.18Å; L41-L58 HydrophobicContact CG-CD2 3.96Å; E42-L58 CarbonylContact O-C 3.51Å; E42-L58 WeakPolarHBondContact O-CA 3.02Å; E42-L58 WeakPolarHBondContact O-CB 3.47Å; L43-L58 HydrophobicContact CD1-CD2 4.38Å; L43-L58 HydrophobicContact CD1-CG 4.04Å; A56-L58 HydrophobicContact CB-CD1 4.25Å; L58-I66 HydrophobicContact CB-CB 4.31Å; L58-I66 HydrophobicContact CD1-CG2 4.42Å; L58-I66 PolarHBondContact N-O 2.97Å; L58-I66 PolarHBondContact O-N 2.92Å
59	H	94.4	Very high	91.4	Very high	55 Å²	55	55.2 Å²	55.2	26%	0.255	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.3	169.5	61.4	96.6	0	0	0	109.5	L41 E42 N61 T64	L41-H59 WeakPolarHBondContact CA-O 3.3Å; E42-H59 WeakPolarHBondContact CB-NE2 3.32Å; E42-H59 PolarHBondContact N-O 3.39Å; E42-H59 PolarHBondContact O-N 3.49Å; E42-H59 IonicContact OE2-CE1 3.27Å; E42-H59 PolarHBondContact OE2-CE1 3.41Å; E42-H59 VanDerWaalsContact OE2-CE1 3.25Å; E42-H59 IonicContact OE2-NE2 3.76Å; H59-N61 PolarHBondContact ND1-O 3.17Å; H59-T64 CarbonylContact C-O 3.5Å; H59-T64 VanDerWaalsContact CA-O 3.29Å; H59-T64 WeakPolarHBondContact CA-O 3.46Å
60	E	90.4	Very high	91.9	Very high	14 Å²	14	53.9 Å²	53.9	7%	0.065	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	122.6	168.6	166.8	69.1	-165.3	0	0	105.3	F38 Q40 L41 T64	F38-E60 WeakPolarHBondContact CA-OE2 3.21Å; F38-E60 HydrophobicContact CB-CB 4.08Å; F38-E60 HydrophobicContact CB-CG 3.99Å; F38-E60 VanDerWaalsContact CB-OE2 3.32Å; F38-E60 WeakPolarHBondContact CB-OE2 3.41Å; F38-E60 HydrophobicContact CD1-CB 4.12Å; F38-E60 HydrophobicContact CD1-CG 3.85Å; F38-E60 HydrophobicContact CG-CB 4.35Å; F38-E60 HydrophobicContact CG-CG 4.33Å; Q40-E60 WeakPolarHBondContact CA-OE2 3.44Å; Q40-E60 PolarHBondContact N-OE1 2.83Å; Q40-E60 PolarHBondContact N-OE2 2.85Å; L41-E60 HydrophobicContact CD1-CB 4.3Å; L41-E60 PolarHBondContact N-OE2 2.98Å; E60-T64 HydrophobicContact CB-CG2 4.16Å; E60-T64 PolarHBondContact N-O 2.93Å; E60-T64 WeakPolarHBondContact O-CB 3.42Å; E60-T64 PolarHBondContact O-N 3.01Å
61	N	83.1	Confident	92.6	Very high	61 Å²	61	52 Å²	52	33%	0.326	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	-149.5	-174.9	68.8	59.9	0	0	0	112.9	H59 D63	H59-N61 PolarHBondContact ND1-O 3.17Å; N61-D63 PolarHBondContact OD1-N 3.19Å
62	K	74.3	Confident	92.9	Very high	206 Å²	206	46.5 Å²	46.5	90%	0.896	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-10.9	-179.1	-71.5	-172.1	178.2	-178.1	0	114.3
63	D	83.9	Confident	93.3	Very high	103 Å²	103	49.1 Å²	49.1	55%	0.551	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.7	-8.6	-164.8	-59.2	-36.5	0	0	0	113.4	N61 Y82 F83	N61-D63 PolarHBondContact OD1-N 3.19Å; D63-Y82 VanDerWaalsContact O-CA 3.25Å; D63-Y82 WeakPolarHBondContact O-CA 3.38Å; D63-F83 PolarHBondContact O-N 3.02Å; D63-F83 VanDerWaalsContact O-N 3.09Å
64	T	92.5	Very high	93.4	Very high	16 Å²	16	49.2 Å²	49.2	10%	0.098	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.9	179.2	-58	0	0	0	0	111	H59 E60 I66 V80 E81 Y82	H59-T64 CarbonylContact C-O 3.5Å; H59-T64 VanDerWaalsContact CA-O 3.29Å; H59-T64 WeakPolarHBondContact CA-O 3.46Å; E60-T64 HydrophobicContact CB-CG2 4.16Å; E60-T64 PolarHBondContact N-O 2.93Å; E60-T64 WeakPolarHBondContact O-CB 3.42Å; E60-T64 PolarHBondContact O-N 3.01Å; T64-I66 HydrophobicContact CG2-CG1 4.15Å; T64-V80 HydrophobicContact CG2-CG1 4.13Å; T64-E81 CarbonylContact C-O 3.57Å; T64-E81 WeakPolarHBondContact CA-O 3.26Å; T64-Y82 WeakPolarHBondContact OG1-CB 3.28Å
65	V	95.6	Very high	93.4	Very high	62 Å²	62	51.1 Å²	51.1	38%	0.376	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.8	172.4	177.8	0	0	0	0	108.7	V57 T67 E81	V57-V65 HydrophobicContact CG1-CG1 3.89Å; V65-T67 HydrophobicContact CG1-CG2 4.23Å; V65-E81 PolarHBondContact N-O 3.09Å; V65-E81 PolarHBondContact O-N 2.9Å; V65-E81 VanDerWaalsContact O-O 3.09Å
66	I	96.5	Very high	93.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.6	177.1	-56.4	-177.8	0	0	0	108	L34 F38 L41 L58 T64 L78 N79 V80	L34-I66 HydrophobicContact CD1-CG2 4.2Å; F38-I66 HydrophobicContact CD1-CD1 4.42Å; F38-I66 HydrophobicContact CD2-CD1 3.51Å; F38-I66 HydrophobicContact CE1-CD1 4.35Å; F38-I66 HydrophobicContact CE2-CD1 3.45Å; F38-I66 VanDerWaalsContact CE2-CD1 3.45Å; F38-I66 HydrophobicContact CG-CD1 4.01Å; F38-I66 HydrophobicContact CZ-CD1 3.89Å; L41-I66 HydrophobicContact CD1-CD1 3.85Å; L58-I66 HydrophobicContact CB-CB 4.31Å; L58-I66 HydrophobicContact CD1-CG2 4.42Å; L58-I66 PolarHBondContact N-O 2.97Å; L58-I66 PolarHBondContact O-N 2.92Å; T64-I66 HydrophobicContact CG2-CG1 4.15Å; I66-L78 HydrophobicContact CG2-CD1 3.33Å; I66-L78 HydrophobicContact CG2-CG 4.33Å; I66-N79 CarbonylContact C-O 3.53Å; I66-N79 VanDerWaalsContact CA-O 3.27Å; I66-N79 WeakPolarHBondContact CA-O 3.45Å; I66-V80 HydrophobicContact CD1-CG2 4.36Å; I66-V80 HydrophobicContact CG1-CG1 4.21Å; I66-V80 HydrophobicContact CG1-CG2 4.24Å; I66-V80 HydrophobicContact CG2-CG2 4.3Å
67	T	97.1	Very high	93.4	Very high	35 Å²	35	49.6 Å²	49.6	22%	0.215	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133.1	173.1	66	0	0	0	0	109.7	A56 V57 V65 L78 N79	A56-T67 WeakPolarHBondContact O-CA 3.34Å; V57-T67 HydrophobicContact CG2-CG2 4.34Å; V65-T67 HydrophobicContact CG1-CG2 4.23Å; T67-L78 WeakPolarHBondContact O-CA 3.22Å; T67-N79 PolarHBondContact N-O 2.75Å; T67-N79 PolarHBondContact O-N 2.75Å; T67-N79 WeakPolarHBondContact OG1-CB 3.29Å; T67-N79 PolarHBondContact OG1-ND2 3.37Å; T67-N79 VanDerWaalsContact OG1-ND2 3.08Å
68	C	96.9	Very high	93.4	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.027	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	148.4	172.6	71.8	0	0	0	0	111.4	L30 F55 A56 L76 T77 L78	L30-C68 HydrophobicContact CD2-CB 3.65Å; F55-C68 WeakPolarHBondContact CA-O 3.13Å; F55-C68 WeakPolarHBondContact CD2-O 3.29Å; A56-C68 PolarHBondContact N-O 3.38Å; A56-C68 PolarHBondContact O-N 2.92Å; C68-L76 HydrophobicContact CB-CD1 4.37Å; C68-T77 CarbonylContact C-O 3.53Å; C68-T77 VanDerWaalsContact CA-O 3.31Å; C68-T77 WeakPolarHBondContact CA-O 3.37Å; C68-L78 HydrophobicContact CB-CD1 3.78Å
69	R	97.1	Very high	93.4	Very high	101 Å²	101	50 Å²	50	38%	0.381	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	126.5	175.7	-171.5	172.2	-179.1	-179.4	2.2	109.8	Y54 F55 F71 L76 T77	Y54-R69 CarbonylContact O-C 3.59Å; Y54-R69 VanDerWaalsContact O-CA 3.32Å; Y54-R69 WeakPolarHBondContact O-CA 3.2Å; F55-R69 HydrophobicContact CD2-CB 4.35Å; R69-F71 HydrophobicContact CB-CE2 4.17Å; R69-F71 HydrophobicContact CG-CD2 4.14Å; R69-F71 HydrophobicContact CG-CE1 4.47Å; R69-F71 HydrophobicContact CG-CE2 3.77Å; R69-F71 HydrophobicContact CG-CZ 3.98Å; R69-F71 VanDerWaalsContact CZ-CE1 3.43Å; R69-L76 CarbonylContact O-C 3.54Å; R69-L76 WeakPolarHBondContact O-CA 3.48Å; R69-T77 PolarHBondContact N-O 2.86Å; R69-T77 PolarHBondContact O-N 3.47Å
70	I	97.7	Very high	93.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	108.8	174.9	-51.7	163.2	0	0	0	107.3	T17 R23 V26 A27 G53 Y54 L76	T17-I70 HydrophobicContact CG2-CG2 3.65Å; R23-I70 HydrophobicContact CB-CG2 4.49Å; R23-I70 HydrophobicContact CG-CG2 4Å; R23-I70 WeakPolarHBondContact O-CD1 3.44Å; V26-I70 HydrophobicContact CB-CD1 4.03Å; V26-I70 HydrophobicContact CG1-CD1 3.72Å; V26-I70 HydrophobicContact CG1-CG1 4.25Å; V26-I70 HydrophobicContact CG1-CG2 4.48Å; A27-I70 HydrophobicContact CB-CD1 3.84Å; G53-I70 WeakPolarHBondContact CA-O 3.42Å; Y54-I70 HydrophobicContact CD1-CD1 3.74Å; Y54-I70 HydrophobicContact CD1-CG1 4.22Å; Y54-I70 HydrophobicContact CE1-CD1 4.48Å; Y54-I70 HydrophobicContact CG-CD1 4.19Å; Y54-I70 PolarHBondContact N-O 2.88Å; Y54-I70 PolarHBondContact O-N 2.97Å; I70-L76 HydrophobicContact CG1-CD1 3.77Å
71	F	96.1	Very high	93.7	Very high	55 Å²	55	49.9 Å²	49.9	24%	0.241	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	154.1	174.8	-59.9	-100.1	0	0	0	110.1	T17 R69 H73 L75 T77	T17-F71 WeakPolarHBondContact CB-O 3.33Å; T17-F71 PolarHBondContact OG1-O 2.85Å; R69-F71 HydrophobicContact CB-CE2 4.17Å; R69-F71 HydrophobicContact CG-CD2 4.14Å; R69-F71 HydrophobicContact CG-CE1 4.47Å; R69-F71 HydrophobicContact CG-CE2 3.77Å; R69-F71 HydrophobicContact CG-CZ 3.98Å; R69-F71 VanDerWaalsContact CZ-CE1 3.43Å; F71-H73 PolarHBondContact O-N 2.89Å; F71-H73 VanDerWaalsContact O-N 3.15Å; F71-L75 HydrophobicContact CB-CB 4.1Å; F71-L75 HydrophobicContact CD2-CB 3.96Å; F71-L75 HydrophobicContact CD2-CD2 3.75Å; F71-L75 HydrophobicContact CD2-CG 3.75Å; F71-L75 WeakPolarHBondContact CD2-O 3.38Å; F71-L75 HydrophobicContact CE2-CD2 3.85Å; F71-L75 HydrophobicContact CE2-CG 4.17Å; F71-L75 HydrophobicContact CG-CB 4.32Å; F71-L75 HydrophobicContact CG-CD2 4.32Å; F71-L75 HydrophobicContact CG-CG 4.5Å; F71-L75 HydrophobicContact CZ-CD2 4.49Å; F71-L75 PolarHBondContact N-O 2.76Å; F71-T77 HydrophobicContact CE2-CG2 3.97Å
72	Q	92.1	Very high	94.2	Very high	52 Å²	52	47.3 Å²	47.3	24%	0.243	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-9.4	-176.3	-55	179.5	-13.9	0	0	114.7	T17 P50	T17-Q72 WeakPolarHBondContact O-CA 3.3Å; T17-Q72 PolarHBondContact OG1-O 2.85Å; P50-Q72 PolarHBondContact O-NE2 3Å
73	H	92.4	Very high	95	Very high	143 Å²	143	41.9 Å²	41.9	66%	0.662	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.4	27.3	-171.7	-57.5	92.6	0	0	0	112	F71	F71-H73 PolarHBondContact O-N 2.89Å; F71-H73 VanDerWaalsContact O-N 3.15Å
74	G	95.1	Very high	95.2	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.021	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	31.3	178.6	0	0	0	0	0	113.8	T11 L12 T17	T11-G74 CarbonylContact C-O 3.51Å; T11-G74 WeakPolarHBondContact CA-O 3.23Å; L12-G74 PolarHBondContact N-O 2.84Å; L12-G74 VanDerWaalsContact O-CA 3.31Å; L12-G74 WeakPolarHBondContact O-CA 3.38Å; T17-G74 VanDerWaalsContact OG1-CA 3.3Å; T17-G74 WeakPolarHBondContact OG1-CA 3.35Å; T17-G74 PolarHBondContact OG1-N 3.2Å
75	L	96.6	Very high	95	Very high	63 Å²	63	39.8 Å²	39.8	33%	0.33	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128	175.5	176.2	65.9	0	0	0	110.1	F71 T77	F71-L75 HydrophobicContact CB-CB 4.1Å; F71-L75 HydrophobicContact CD2-CB 3.96Å; F71-L75 HydrophobicContact CD2-CD2 3.75Å; F71-L75 HydrophobicContact CD2-CG 3.75Å; F71-L75 WeakPolarHBondContact CD2-O 3.38Å; F71-L75 HydrophobicContact CE2-CD2 3.85Å; F71-L75 HydrophobicContact CE2-CG 4.17Å; F71-L75 HydrophobicContact CG-CB 4.32Å; F71-L75 HydrophobicContact CG-CD2 4.32Å; F71-L75 HydrophobicContact CG-CG 4.5Å; F71-L75 HydrophobicContact CZ-CD2 4.49Å; F71-L75 PolarHBondContact N-O 2.76Å; L75-T77 HydrophobicContact CD1-CG2 4.24Å; L75-T77 HydrophobicContact CD2-CG2 4.25Å; L75-T77 HydrophobicContact CG-CG2 4.13Å
76	L	97.4	Very high	94.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.1	168.1	159.5	64.1	0	0	0	108.4	F10 L12 V26 L30 C68 R69 I70 F108	F10-L76 HydrophobicContact CB-CB 4.21Å; F10-L76 HydrophobicContact CB-CD2 4.39Å; F10-L76 HydrophobicContact CB-CG 4.42Å; F10-L76 HydrophobicContact CD2-CD2 4.1Å; F10-L76 HydrophobicContact CD2-CG 4.13Å; F10-L76 HydrophobicContact CG-CD2 4.47Å; F10-L76 PolarHBondContact N-O 3.27Å; F10-L76 PolarHBondContact O-N 2.87Å; L12-L76 HydrophobicContact CD1-CB 4.3Å; V26-L76 HydrophobicContact CG1-CD2 4.35Å; L30-L76 HydrophobicContact CD2-CD1 3.91Å; L30-L76 HydrophobicContact CD2-CD2 4.35Å; C68-L76 HydrophobicContact CB-CD1 4.37Å; R69-L76 CarbonylContact O-C 3.54Å; R69-L76 WeakPolarHBondContact O-CA 3.48Å; I70-L76 HydrophobicContact CG1-CD1 3.77Å; L76-F108 HydrophobicContact CD2-CD2 4.1Å; L76-F108 HydrophobicContact CD2-CE2 3.54Å; L76-F108 HydrophobicContact CD2-CZ 3.91Å
77	T	97.7	Very high	93.7	Very high	26 Å²	26	46.5 Å²	46.5	16%	0.16	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.4	171.1	60.6	0	0	0	0	109.6	F8 C68 R69 F71 L75	F8-T77 CarbonylContact O-C 3.52Å; F8-T77 WeakPolarHBondContact O-CA 3.44Å; C68-T77 CarbonylContact C-O 3.53Å; C68-T77 VanDerWaalsContact CA-O 3.31Å; C68-T77 WeakPolarHBondContact CA-O 3.37Å; R69-T77 PolarHBondContact N-O 2.86Å; R69-T77 PolarHBondContact O-N 3.47Å; F71-T77 HydrophobicContact CE2-CG2 3.97Å; L75-T77 HydrophobicContact CD1-CG2 4.24Å; L75-T77 HydrophobicContact CD2-CG2 4.25Å; L75-T77 HydrophobicContact CG-CG2 4.13Å
78	L	97.3	Very high	93.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124.1	179.6	173.1	76.9	0	0	0	109.1	F8 L30 L34 I66 T67 C68 V80 M100 L104	F8-L78 HydrophobicContact CB-CB 4.15Å; F8-L78 HydrophobicContact CB-CD2 4.48Å; F8-L78 HydrophobicContact CD2-CD2 4.25Å; F8-L78 HydrophobicContact CD2-CG 4.49Å; F8-L78 HydrophobicContact CG-CD2 4.48Å; F8-L78 PolarHBondContact N-O 2.92Å; F8-L78 PolarHBondContact O-N 3.35Å; L30-L78 HydrophobicContact CD1-CD2 4.41Å; L30-L78 HydrophobicContact CD2-CD1 4.49Å; L34-L78 HydrophobicContact CD1-CD1 4.22Å; L34-L78 HydrophobicContact CD2-CD2 4.1Å; I66-L78 HydrophobicContact CG2-CD1 3.33Å; I66-L78 HydrophobicContact CG2-CG 4.33Å; T67-L78 WeakPolarHBondContact O-CA 3.22Å; C68-L78 HydrophobicContact CB-CD1 3.78Å; L78-V80 HydrophobicContact CG-CG2 4.47Å; L78-M100 HydrophobicContact CD2-CE 3.43Å; L78-M100 VanDerWaalsContact CD2-CE 3.43Å; L78-L104 HydrophobicContact CD2-CD1 4.21Å
79	N	96.8	Very high	92.8	Very high	51 Å²	51	59.2 Å²	59.2	27%	0.273	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.2	175.9	-46.9	-32.8	0	0	0	108	I6 L7 I66 T67	I6-N79 WeakPolarHBondContact O-CA 3.48Å; L7-N79 HydrophobicContact CD2-CB 4.11Å; L7-N79 WeakPolarHBondContact CD2-OD1 3.47Å; I66-N79 CarbonylContact C-O 3.53Å; I66-N79 VanDerWaalsContact CA-O 3.27Å; I66-N79 WeakPolarHBondContact CA-O 3.45Å; T67-N79 PolarHBondContact N-O 2.75Å; T67-N79 PolarHBondContact O-N 2.75Å; T67-N79 WeakPolarHBondContact OG1-CB 3.29Å; T67-N79 PolarHBondContact OG1-ND2 3.37Å; T67-N79 VanDerWaalsContact OG1-ND2 3.08Å
80	V	95.4	Very high	92.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	111.8	169.8	-178.2	0	0	0	0	106.9	I6 F8 F38 T64 I66 L78 Y82 I92 M100	I6-V80 HydrophobicContact CB-CB 4.41Å; I6-V80 PolarHBondContact N-O 2.8Å; I6-V80 PolarHBondContact O-N 2.82Å; F8-V80 HydrophobicContact CD2-CG2 4.46Å; F8-V80 HydrophobicContact CE2-CG2 4.03Å; F38-V80 HydrophobicContact CZ-CG1 4.13Å; T64-V80 HydrophobicContact CG2-CG1 4.13Å; I66-V80 HydrophobicContact CD1-CG2 4.36Å; I66-V80 HydrophobicContact CG1-CG1 4.21Å; I66-V80 HydrophobicContact CG1-CG2 4.24Å; I66-V80 HydrophobicContact CG2-CG2 4.3Å; L78-V80 HydrophobicContact CG-CG2 4.47Å; V80-Y82 HydrophobicContact CG1-CD1 4.44Å; V80-I92 HydrophobicContact CG1-CD1 3.53Å; V80-M100 HydrophobicContact CG2-CE 4.29Å
81	E	95.4	Very high	91.7	Very high	68 Å²	68	61.8 Å²	61.8	32%	0.318	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.2	179.3	-173.2	168.4	97.1	0	0	109.6	A3 Q4 T5 T64 V65 R121	A3-E81 HydrophobicContact CB-CG 4.25Å; Q4-E81 VanDerWaalsContact O-CA 3.28Å; Q4-E81 WeakPolarHBondContact O-CA 3.27Å; T5-E81 PolarHBondContact OG1-OE2 3.26Å; T5-E81 VanDerWaalsContact OG1-OE2 3.04Å; T64-E81 CarbonylContact C-O 3.57Å; T64-E81 WeakPolarHBondContact CA-O 3.26Å; V65-E81 PolarHBondContact N-O 3.09Å; V65-E81 PolarHBondContact O-N 2.9Å; V65-E81 VanDerWaalsContact O-O 3.09Å; E81-R121 IonicContact OE2-CZ 3.41Å; E81-R121 IonicContact OE2-NH1 3.57Å; E81-R121 PolarHBondContact OE2-NH1 3.08Å
82	Y	93.9	Very high	91.3	Very high	6 Å²	6	59.8 Å²	59.8	2%	0.024	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	152.4	177.2	64.8	-83.8	0	0	0	112.3	Q4 I6 D63 T64 V80 L84 I92	Q4-Y82 HydrophobicContact CB-CD1 4.04Å; Q4-Y82 HydrophobicContact CB-CD2 4.26Å; Q4-Y82 HydrophobicContact CB-CE1 3.6Å; Q4-Y82 HydrophobicContact CB-CE2 3.84Å; Q4-Y82 HydrophobicContact CB-CG 4.35Å; Q4-Y82 HydrophobicContact CG-CE1 4.48Å; Q4-Y82 HydrophobicContact CG-CE2 3.95Å; Q4-Y82 PolarHBondContact N-O 2.95Å; Q4-Y82 PolarHBondContact O-N 3.23Å; I6-Y82 HydrophobicContact CD1-CE1 3.83Å; I6-Y82 HydrophobicContact CG1-CE1 4.32Å; D63-Y82 VanDerWaalsContact O-CA 3.25Å; D63-Y82 WeakPolarHBondContact O-CA 3.38Å; T64-Y82 WeakPolarHBondContact OG1-CB 3.28Å; V80-Y82 HydrophobicContact CG1-CD1 4.44Å; Y82-L84 HydrophobicContact CE2-CB 4.44Å; Y82-I92 HydrophobicContact CD1-CD1 4.01Å; Y82-I92 HydrophobicContact CE1-CB 4.32Å; Y82-I92 HydrophobicContact CE1-CD1 3.81Å; Y82-I92 HydrophobicContact CE1-CG1 4.04Å
83	F	91	Very high	91.1	Very high	93 Å²	93	59.9 Å²	59.9	41%	0.408	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	124.8	176.8	-176.2	-106.5	0	0	0	111.4	M1 D63 P85	M1-F83 HydrophobicContact CB-CE2 3.86Å; M1-F83 HydrophobicContact CB-CZ 3.72Å; M1-F83 HydrophobicContact CG-CZ 3.92Å; M1-F83 HydrophobicContact SD-CZ 3.79Å; D63-F83 PolarHBondContact O-N 3.02Å; D63-F83 VanDerWaalsContact O-N 3.09Å; F83-P85 HydrophobicContact CD1-CG 4.07Å; F83-P85 HydrophobicContact CE1-CB 4.31Å; F83-P85 HydrophobicContact CE1-CG 3.86Å
84	L	89.4	Confident	91	Very high	18 Å²	18	58.5 Å²	58.5	9%	0.094	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	111.4	172	-174.3	65.5	0	0	0	110.6	A2 Q4 Y82 K88 E89	A2-L84 PolarHBondContact N-O 3.05Å; A2-L84 VanDerWaalsContact N-O 3.12Å; A2-L84 PolarHBondContact O-N 3.48Å; Q4-L84 HydrophobicContact CG-CB 3.63Å; Q4-L84 HydrophobicContact CG-CD2 3.87Å; Q4-L84 HydrophobicContact CG-CG 4.37Å; Q4-L84 VanDerWaalsContact NE2-CD2 3.26Å; Y82-L84 HydrophobicContact CE2-CB 4.44Å; L84-K88 HydrophobicContact CD1-CB 3.98Å; L84-E89 WeakPolarHBondContact CD1-O 3.29Å
85	P	87.8	Confident	90.7	Very high	56 Å²	56	63.3 Å²	63.3	36%	0.364	35%	0.353	S	S	.	.			trans	-64.7	153.3	172.7	-18.1	29.8	0	0	0	112.3	F83 K88	F83-P85 HydrophobicContact CD1-CG 4.07Å; F83-P85 HydrophobicContact CE1-CB 4.31Å; F83-P85 HydrophobicContact CE1-CG 3.86Å; P85-K88 HydrophobicContact CB-CG 3.88Å; P85-K88 HydrophobicContact CG-CG 4.19Å; P85-K88 WeakPolarHBondContact O-CB 3.37Å; P85-K88 PolarHBondContact O-N 2.95Å
86	D	83.2	Confident	90.3	Very high	118 Å²	118	63 Å²	63	63%	0.631	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	139.5	176.9	-72.7	-37.3	0	0	0	112.3	M1 K88	M1-D86 VanDerWaalsContact CA-OD1 3.3Å; M1-D86 WeakPolarHBondContact CA-OD1 3.36Å; M1-D86 WeakPolarHBondContact CG-OD2 2.88Å; M1-D86 PolarHBondContact N-OD1 3.1Å; M1-D86 PolarHBondContact N-OD2 3.43Å; D86-K88 PolarHBondContact O-N 2.89Å
87	G	82.5	Confident	90.1	Very high	85 Å²	85	63.6 Å²	63.6	88%	0.876	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	11.7	179.4	0	0	0	0	0	114.6
88	K	86.8	Confident	89.9	Confident	141 Å²	141	68.7 Å²	68.7	61%	0.613	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-99.1	146.7	170.7	-63.5	-61.9	-175.3	-179.5	0	110.8	L84 P85 D86	L84-K88 HydrophobicContact CD1-CB 3.98Å; P85-K88 HydrophobicContact CB-CG 3.88Å; P85-K88 HydrophobicContact CG-CG 4.19Å; P85-K88 WeakPolarHBondContact O-CB 3.37Å; P85-K88 PolarHBondContact O-N 2.95Å; D86-K88 PolarHBondContact O-N 2.89Å
89	E	86.9	Confident	89.7	Confident	165 Å²	165	72 Å²	72	77%	0.771	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-71.3	147.3	171.5	-67.4	-58.4	146.3	0	0	110.8	L84 S91	L84-E89 WeakPolarHBondContact CD1-O 3.29Å; E89-S91 PolarHBondContact O-N 2.64Å
90	P	87.3	Confident	89.5	Confident	62 Å²	62	69.6 Å²	69.6	40%	0.403	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-52.6	131	175	-25.9	34.7	0	0	0	112	I92	P90-I92 PolarHBondContact O-N 3.01Å
91	S	84.6	Confident	89.5	Confident	93 Å²	93	70.8 Å²	70.8	65%	0.65	39%	0.386	S	S	*	.	S	Bend	trans	-67.2	-23.9	178.9	-54	0	0	0	0	112.8	E89	E89-S91 PolarHBondContact O-N 2.64Å
92	I	88.3	Confident	89.5	Confident	14 Å²	14	71.9 Å²	71.9	7%	0.072	39%	0.393	C	S	.	.	S	Bend	trans	-115.4	111.4	177.7	-56	177.9	0	0	0	107.6	I6 F38 V80 Y82 P90 T96 M97	I6-I92 HydrophobicContact CD1-CB 3.84Å; I6-I92 HydrophobicContact CD1-CD1 3.84Å; I6-I92 HydrophobicContact CD1-CG1 4.39Å; I6-I92 HydrophobicContact CD1-CG2 3.86Å; F38-I92 HydrophobicContact CE1-CD1 4.14Å; F38-I92 HydrophobicContact CZ-CD1 4.07Å; V80-I92 HydrophobicContact CG1-CD1 3.53Å; Y82-I92 HydrophobicContact CD1-CD1 4.01Å; Y82-I92 HydrophobicContact CE1-CB 4.32Å; Y82-I92 HydrophobicContact CE1-CD1 3.81Å; Y82-I92 HydrophobicContact CE1-CG1 4.04Å; P90-I92 PolarHBondContact O-N 3.01Å; I92-T96 HydrophobicContact CG2-CG2 3.86Å; I92-M97 HydrophobicContact CG2-CG 3.62Å
93	S	88.5	Confident	89.5	Confident	54 Å²	54	74.1 Å²	74.1	38%	0.378	41%	0.405	S	S	.	.			trans	-77.6	165.6	-179.2	77	0	0	0	0	111.9	D95 T96 M97	S93-D95 VanDerWaalsContact C-N 3.26Å; S93-D95 PolarHBondContact O-N 2.95Å; S93-D95 PolarHBondContact OG-N 2.76Å; S93-T96 PolarHBondContact O-N 3.47Å; S93-T96 VanDerWaalsContact O-N 3.16Å; S93-T96 PolarHBondContact OG-N 2.89Å; S93-T96 VanDerWaalsContact OG-N 3.16Å; S93-T96 PolarHBondContact OG-OG1 3.38Å; S93-T96 VanDerWaalsContact OG-OG1 3.11Å; S93-M97 WeakPolarHBondContact O-CG 3.47Å; S93-M97 PolarHBondContact O-N 3.14Å
94	F	89	Confident	89.7	Confident	113 Å²	113	69.8 Å²	69.8	50%	0.496	39%	0.386	S	S	.	.	H	α-helix	trans	-52.3	-44.7	170.7	173.3	-91.7	0	0	0	112.6	T96 M97 R98 Y115	F94-T96 VanDerWaalsContact C-N 3.33Å; F94-T96 PolarHBondContact O-N 2.88Å; F94-M97 HydrophobicContact CB-CE 4.44Å; F94-M97 PolarHBondContact O-N 2.88Å; F94-R98 WeakPolarHBondContact O-CB 3.43Å; F94-R98 PolarHBondContact O-N 3.34Å; F94-Y115 WeakPolarHBondContact CD2-OH 3.31Å; F94-Y115 WeakPolarHBondContact CE2-OH 3.35Å
95	D	89.5	Confident	90.1	Very high	104 Å²	104	73.4 Å²	73.4	56%	0.556	40%	0.399	S	S	*	.	H	α-helix	trans	-67.2	-35.7	-179.5	-66.8	-38.5	0	0	0	111.8	S93 T99	S93-D95 VanDerWaalsContact C-N 3.26Å; S93-D95 PolarHBondContact O-N 2.95Å; S93-D95 PolarHBondContact OG-N 2.76Å; D95-T99 VanDerWaalsContact O-CB 3.23Å; D95-T99 WeakPolarHBondContact O-CB 3.4Å; D95-T99 PolarHBondContact O-N 2.65Å; D95-T99 PolarHBondContact O-OG1 2.73Å
96	T	88.8	Confident	90.5	Very high	56 Å²	56	78.2 Å²	78.2	34%	0.344	42%	0.416	S	S	.	.	H	α-helix	trans	-65.8	-47.2	174.3	-56.3	0	0	0	0	111.1	I92 S93 F94 R98 T99 M100	I92-T96 HydrophobicContact CG2-CG2 3.86Å; S93-T96 PolarHBondContact O-N 3.47Å; S93-T96 VanDerWaalsContact O-N 3.16Å; S93-T96 PolarHBondContact OG-N 2.89Å; S93-T96 VanDerWaalsContact OG-N 3.16Å; S93-T96 PolarHBondContact OG-OG1 3.38Å; S93-T96 VanDerWaalsContact OG-OG1 3.11Å; F94-T96 VanDerWaalsContact C-N 3.33Å; F94-T96 PolarHBondContact O-N 2.88Å; T96-R98 VanDerWaalsContact C-N 3.33Å; T96-R98 PolarHBondContact O-N 3.31Å; T96-T99 PolarHBondContact O-N 2.88Å; T96-M100 VanDerWaalsContact O-CB 3.27Å; T96-M100 WeakPolarHBondContact O-CB 3.48Å; T96-M100 PolarHBondContact O-N 3.22Å
97	M	92.4	Very high	91.1	Very high	12 Å²	12	77.5 Å²	77.5	6%	0.059	41%	0.408	C	S	.	.	H	α-helix	trans	-58.8	-45.9	176.3	-66.8	-175.6	-77.1	0	0	111.3	I6 F8 I92 S93 F94 M100 E101 Y115 P118	I6-M97 HydrophobicContact CD1-CG 4.05Å; I6-M97 HydrophobicContact CD1-SD 3.7Å; I6-M97 HydrophobicContact CG1-SD 4.11Å; I6-M97 HydrophobicContact CG2-CG 4.23Å; I6-M97 HydrophobicContact CG2-SD 3.6Å; I6-M97 VanDerWaalsContact CG2-SD 3.6Å; F8-M97 HydrophobicContact CE1-CB 4.39Å; F8-M97 HydrophobicContact CZ-CB 4.23Å; F8-M97 HydrophobicContact CZ-CG 4.23Å; I92-M97 HydrophobicContact CG2-CG 3.62Å; S93-M97 WeakPolarHBondContact O-CG 3.47Å; S93-M97 PolarHBondContact O-N 3.14Å; F94-M97 HydrophobicContact CB-CE 4.44Å; F94-M97 PolarHBondContact O-N 2.88Å; M97-M100 PolarHBondContact O-N 2.95Å; M97-E101 PolarHBondContact O-N 3.24Å; M97-Y115 HydrophobicContact CB-CD2 4.27Å; M97-Y115 HydrophobicContact CB-CE2 4.29Å; M97-Y115 HydrophobicContact CB-CG 4.44Å; M97-Y115 HydrophobicContact SD-CD2 4.32Å; M97-Y115 HydrophobicContact SD-CE2 4.47Å; M97-P118 HydrophobicContact CE-CG 3.93Å; M97-P118 HydrophobicContact SD-CG 3.79Å
98	R	93.8	Very high	91.7	Very high	133 Å²	133	73.8 Å²	73.8	50%	0.502	37%	0.367	S	S	.	.	H	α-helix	trans	-64.5	-43.4	178.8	-175.3	178.5	-177.2	177.3	1.7	112.2	F94 T96 E101 L102 Y115	F94-R98 WeakPolarHBondContact O-CB 3.43Å; F94-R98 PolarHBondContact O-N 3.34Å; T96-R98 VanDerWaalsContact C-N 3.33Å; T96-R98 PolarHBondContact O-N 3.31Å; R98-E101 PolarHBondContact O-N 2.99Å; R98-L102 HydrophobicContact CG-CD1 4.19Å; R98-L102 VanDerWaalsContact O-CG 3.3Å; R98-L102 WeakPolarHBondContact O-CG 3.25Å; R98-L102 PolarHBondContact O-N 2.9Å; R98-Y115 HydrophobicContact CB-CE1 4.42Å
99	T	92.1	Very high	92	Very high	69 Å²	69	72.6 Å²	72.6	42%	0.423	37%	0.368	S	S	.	.	H	α-helix	trans	-63.7	-44.5	178.7	-60.8	0	0	0	0	110.7	D95 T96 E101 L102 I103	D95-T99 VanDerWaalsContact O-CB 3.23Å; D95-T99 WeakPolarHBondContact O-CB 3.4Å; D95-T99 PolarHBondContact O-N 2.65Å; D95-T99 PolarHBondContact O-OG1 2.73Å; T96-T99 PolarHBondContact O-N 2.88Å; T99-E101 PolarHBondContact O-N 2.89Å; T99-L102 PolarHBondContact O-N 2.86Å; T99-I103 HydrophobicContact CG2-CD1 3.73Å; T99-I103 HydrophobicContact CG2-CG1 4.37Å; T99-I103 VanDerWaalsContact O-CG1 3.3Å; T99-I103 WeakPolarHBondContact O-CG1 3.33Å; T99-I103 PolarHBondContact O-N 2.92Å
100	M	92.7	Very high	92.4	Very high	2 Å²	2	65 Å²	65	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-58.4	-47.5	175.4	-178.2	-178.8	-166.2	0	0	111.9	F8 L34 L37 F38 L78 V80 T96 M97 L102 I103 L104	F8-M100 HydrophobicContact CE1-CB 4.49Å; F8-M100 HydrophobicContact CE1-CG 4.35Å; F8-M100 HydrophobicContact CE1-SD 3.99Å; F8-M100 HydrophobicContact CE2-SD 3.98Å; F8-M100 HydrophobicContact CZ-SD 3.58Å; F8-M100 VanDerWaalsContact CZ-SD 3.58Å; L34-M100 HydrophobicContact CD2-CE 3.15Å; L37-M100 HydrophobicContact CD1-CB 3.74Å; L37-M100 HydrophobicContact CD1-CE 4.26Å; L37-M100 HydrophobicContact CD1-CG 3.52Å; L37-M100 HydrophobicContact CD1-SD 4.04Å; F38-M100 HydrophobicContact CE2-CE 4.07Å; L78-M100 HydrophobicContact CD2-CE 3.43Å; L78-M100 VanDerWaalsContact CD2-CE 3.43Å; V80-M100 HydrophobicContact CG2-CE 4.29Å; T96-M100 VanDerWaalsContact O-CB 3.27Å; T96-M100 WeakPolarHBondContact O-CB 3.48Å; T96-M100 PolarHBondContact O-N 3.22Å; M97-M100 PolarHBondContact O-N 2.95Å; M100-L102 PolarHBondContact O-N 3.04Å; M100-I103 PolarHBondContact O-N 2.75Å; M100-L104 HydrophobicContact CE-CD1 4.33Å; M100-L104 HydrophobicContact CG-CD1 4.08Å; M100-L104 WeakPolarHBondContact O-CB 3.37Å; M100-L104 WeakPolarHBondContact O-CG 3.38Å; M100-L104 PolarHBondContact O-N 2.91Å
101	E	95.4	Very high	92.7	Very high	25 Å²	25	67.6 Å²	67.6	12%	0.117	34%	0.343	C	S	.	.	H	α-helix	trans	-57.1	-48.5	175.9	-170.4	-157	165.8	0	0	111.4	F10 M97 R98 T99 L104 R105 S113 K114 Y115	F10-E101 HydrophobicContact CE1-CG 4.39Å; M97-E101 PolarHBondContact O-N 3.24Å; R98-E101 PolarHBondContact O-N 2.99Å; T99-E101 PolarHBondContact O-N 2.89Å; E101-L104 PolarHBondContact O-N 3.39Å; E101-R105 WeakPolarHBondContact O-CB 3.3Å; E101-R105 PolarHBondContact O-N 2.82Å; E101-S113 WeakPolarHBondContact OE1-CB 3.2Å; E101-S113 VanDerWaalsContact OE1-O 3.09Å; E101-S113 PolarHBondContact OE1-OG 3.18Å; E101-K114 PolarHBondContact OE1-N 2.87Å; E101-Y115 HydrophobicContact CB-CD1 4.13Å; E101-Y115 HydrophobicContact CG-CD1 4.35Å; E101-Y115 WeakPolarHBondContact OE2-CD1 3.24Å; E101-Y115 WeakPolarHBondContact OE2-CE1 3.08Å
102	L	95.3	Very high	93.2	Very high	90 Å²	90	71.2 Å²	71.2	47%	0.471	34%	0.343	S	S	.	.	H	α-helix	trans	-67.1	-40.2	-176.5	-70.1	174.7	0	0	0	112.9	R98 T99 M100 Q106	R98-L102 HydrophobicContact CG-CD1 4.19Å; R98-L102 VanDerWaalsContact O-CG 3.3Å; R98-L102 WeakPolarHBondContact O-CG 3.25Å; R98-L102 PolarHBondContact O-N 2.9Å; T99-L102 PolarHBondContact O-N 2.86Å; M100-L102 PolarHBondContact O-N 3.04Å; L102-Q106 WeakPolarHBondContact O-CB 3.36Å; L102-Q106 PolarHBondContact O-N 2.97Å
103	I	94.7	Very high	93.6	Very high	53 Å²	53	71.3 Å²	71.3	27%	0.272	35%	0.345	S	S	.	.	H	α-helix	trans	-62.8	-51.5	176.3	-70.2	170	0	0	0	109.6	E33 T99 M100 R105 Q106 K107	E33-I103 HydrophobicContact CB-CG2 4.49Å; E33-I103 HydrophobicContact CG-CG2 4.3Å; E33-I103 WeakPolarHBondContact OE2-CG2 3.31Å; T99-I103 HydrophobicContact CG2-CD1 3.73Å; T99-I103 HydrophobicContact CG2-CG1 4.37Å; T99-I103 VanDerWaalsContact O-CG1 3.3Å; T99-I103 WeakPolarHBondContact O-CG1 3.33Å; T99-I103 PolarHBondContact O-N 2.92Å; M100-I103 PolarHBondContact O-N 2.75Å; I103-R105 VanDerWaalsContact C-N 3.34Å; I103-R105 PolarHBondContact O-N 2.97Å; I103-Q106 PolarHBondContact O-N 2.79Å; I103-K107 HydrophobicContact CG2-CG 4.15Å; I103-K107 WeakPolarHBondContact O-CB 3.31Å; I103-K107 WeakPolarHBondContact O-CG 3.33Å; I103-K107 PolarHBondContact O-N 3.33Å
104	L	95.7	Very high	93.9	Very high	2 Å²	2	73.5 Å²	73.5	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-64.4	-39.7	-179.4	-67.7	178.8	0	0	0	111.6	F10 L30 E33 L78 M100 E101 Q106 K107 F108	F10-L104 HydrophobicContact CD1-CB 4.35Å; F10-L104 HydrophobicContact CE1-CB 3.53Å; F10-L104 HydrophobicContact CE1-CD1 4.48Å; F10-L104 HydrophobicContact CE2-CB 4.36Å; F10-L104 HydrophobicContact CE2-CD1 3.92Å; F10-L104 HydrophobicContact CZ-CB 3.54Å; F10-L104 HydrophobicContact CZ-CD1 3.62Å; F10-L104 HydrophobicContact CZ-CG 4.23Å; L30-L104 HydrophobicContact CD1-CD1 3.98Å; L30-L104 HydrophobicContact CD1-CD2 3.86Å; E33-L104 HydrophobicContact CB-CD2 3.67Å; E33-L104 HydrophobicContact CG-CD2 4.06Å; L78-L104 HydrophobicContact CD2-CD1 4.21Å; M100-L104 HydrophobicContact CE-CD1 4.33Å; M100-L104 HydrophobicContact CG-CD1 4.08Å; M100-L104 WeakPolarHBondContact O-CB 3.37Å; M100-L104 WeakPolarHBondContact O-CG 3.38Å; M100-L104 PolarHBondContact O-N 2.91Å; E101-L104 PolarHBondContact O-N 3.39Å; L104-Q106 VanDerWaalsContact C-N 3.32Å; L104-Q106 PolarHBondContact O-N 3.37Å; L104-K107 PolarHBondContact O-N 2.9Å; L104-F108 HydrophobicContact CB-CD2 4.17Å; L104-F108 HydrophobicContact CB-CE2 3.93Å; L104-F108 HydrophobicContact CD2-CE2 3.79Å; L104-F108 HydrophobicContact CD2-CZ 4.16Å; L104-F108 HydrophobicContact CG-CE2 4.34Å; L104-F108 WeakPolarHBondContact O-CD2 3.18Å; L104-F108 PolarHBondContact O-N 3.2Å
105	R	96.3	Very high	94.1	Very high	95 Å²	95	69.6 Å²	69.6	36%	0.358	33%	0.33	S	S	.	.	H	α-helix	trans	-54.2	-49.3	173	-179.4	-174.5	179.1	68.8	10.1	111.2	E101 I103 D109 S110 D111 S113	E101-R105 WeakPolarHBondContact O-CB 3.3Å; E101-R105 PolarHBondContact O-N 2.82Å; I103-R105 VanDerWaalsContact C-N 3.34Å; I103-R105 PolarHBondContact O-N 2.97Å; R105-D109 WeakPolarHBondContact O-CA 3.5Å; R105-D109 PolarHBondContact O-N 2.95Å; R105-D109 VanDerWaalsContact O-N 3.08Å; R105-S110 PolarHBondContact NH1-O 3.36Å; R105-S110 VanDerWaalsContact NH1-O 3.11Å; R105-S110 PolarHBondContact NH2-O 3.16Å; R105-S110 PolarHBondContact O-N 2.95Å; R105-D111 PolarHBondContact NH1-O 3.03Å; R105-D111 VanDerWaalsContact NH1-O 3.15Å; R105-D111 PolarHBondContact NH2-O 2.82Å; R105-S113 WeakPolarHBondContact CD-OG 3.43Å; R105-S113 VanDerWaalsContact NH1-N 3.19Å; R105-S113 PolarHBondContact NH1-OG 3.27Å
106	Q	96.2	Very high	94.2	Very high	156 Å²	156	67.8 Å²	67.8	73%	0.729	32%	0.32	S	S	*	.	H	α-helix	trans	-66.9	-42.9	-179.6	-174.3	-178.8	15.5	0	0	111.7	L102 I103 L104 D109	L102-Q106 WeakPolarHBondContact O-CB 3.36Å; L102-Q106 PolarHBondContact O-N 2.97Å; I103-Q106 PolarHBondContact O-N 2.79Å; L104-Q106 VanDerWaalsContact C-N 3.32Å; L104-Q106 PolarHBondContact O-N 3.37Å; Q106-D109 PolarHBondContact O-N 3.12Å
107	K	95.4	Very high	94.3	Very high	104 Å²	104	69.6 Å²	69.6	45%	0.452	33%	0.332	S	S	.	.	H	α-helix	trans	-67.4	-37.9	-176	-72.1	-79.9	176.3	146.9	0	113	I29 E33 I103 L104 D109	I29-K107 HydrophobicContact CG2-CB 3.98Å; E33-K107 HydrophobicContact CG-CD 4.31Å; E33-K107 HydrophobicContact CG-CG 3.98Å; E33-K107 WeakPolarHBondContact OE1-CD 3.21Å; E33-K107 WeakPolarHBondContact OE1-CE 3.48Å; E33-K107 IonicContact OE1-NZ 3.43Å; E33-K107 PolarHBondContact OE1-NZ 2.78Å; E33-K107 IonicContact OE2-NZ 3.92Å; I103-K107 HydrophobicContact CG2-CG 4.15Å; I103-K107 WeakPolarHBondContact O-CB 3.31Å; I103-K107 WeakPolarHBondContact O-CG 3.33Å; I103-K107 PolarHBondContact O-N 3.33Å; L104-K107 PolarHBondContact O-N 2.9Å; K107-D109 VanDerWaalsContact C-N 3.34Å
108	F	95.2	Very high	94.3	Very high	6 Å²	6	70.9 Å²	70.9	3%	0.026	34%	0.341	C	S	.	.	H	α-helix	trans	-87.1	-8.4	175.9	-57.7	-53.9	0	0	0	113.5	L12 K16 V26 I29 L30 L76 L104 S110	L12-F108 HydrophobicContact CD1-CB 4.41Å; L12-F108 HydrophobicContact CD1-CG 4.44Å; L12-F108 HydrophobicContact CD2-CB 3.41Å; L12-F108 VanDerWaalsContact CD2-CB 3.41Å; L12-F108 HydrophobicContact CD2-CD2 4.33Å; L12-F108 HydrophobicContact CD2-CG 4.02Å; K16-F108 PolarHBondContact NZ-O 2.87Å; V26-F108 HydrophobicContact CG1-CD1 4.1Å; V26-F108 HydrophobicContact CG1-CE1 3.74Å; V26-F108 HydrophobicContact CG1-CZ 4.31Å; I29-F108 HydrophobicContact CB-CE1 3.78Å; I29-F108 HydrophobicContact CG2-CD1 4.04Å; I29-F108 HydrophobicContact CG2-CE1 3.5Å; I29-F108 VanDerWaalsContact CG2-CE1 3.5Å; I29-F108 HydrophobicContact CG2-CZ 4.13Å; L30-F108 HydrophobicContact CB-CZ 3.8Å; L30-F108 HydrophobicContact CD1-CE2 4.32Å; L30-F108 HydrophobicContact CD1-CZ 4.13Å; L76-F108 HydrophobicContact CD2-CD2 4.1Å; L76-F108 HydrophobicContact CD2-CE2 3.54Å; L76-F108 HydrophobicContact CD2-CZ 3.91Å; L104-F108 HydrophobicContact CB-CD2 4.17Å; L104-F108 HydrophobicContact CB-CE2 3.93Å; L104-F108 HydrophobicContact CD2-CE2 3.79Å; L104-F108 HydrophobicContact CD2-CZ 4.16Å; L104-F108 HydrophobicContact CG-CE2 4.34Å; L104-F108 WeakPolarHBondContact O-CD2 3.18Å; L104-F108 PolarHBondContact O-N 3.2Å; F108-S110 VanDerWaalsContact C-N 3.28Å; F108-S110 PolarHBondContact O-N 3.29Å
109	D	94.6	Very high	94.3	Very high	117 Å²	117	67.1 Å²	67.1	63%	0.626	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	58.1	-168.5	176.7	49	0	0	0	109.1	K16 R105 Q106 K107	K16-D109 IonicContact NZ-OD2 2.54Å; K16-D109 PolarHBondContact NZ-OD2 3.08Å; R105-D109 WeakPolarHBondContact O-CA 3.5Å; R105-D109 PolarHBondContact O-N 2.95Å; R105-D109 VanDerWaalsContact O-N 3.08Å; Q106-D109 PolarHBondContact O-N 3.12Å; K107-D109 VanDerWaalsContact C-N 3.34Å
110	S	95.5	Very high	94.4	Very high	5 Å²	5	67.9 Å²	67.9	4%	0.035	33%	0.328	C	S	.	.			trans	-82.9	128.4	-171.8	175.4	0	0	0	0	110.9	T11 R105 F108 R112	T11-S110 CarbonylContact O-C 3.51Å; T11-S110 WeakPolarHBondContact O-CA 3.36Å; T11-S110 WeakPolarHBondContact O-CB 3.45Å; T11-S110 PolarHBondContact O-OG 3.47Å; R105-S110 PolarHBondContact NH1-O 3.36Å; R105-S110 VanDerWaalsContact NH1-O 3.11Å; R105-S110 PolarHBondContact NH2-O 3.16Å; R105-S110 PolarHBondContact O-N 2.95Å; F108-S110 VanDerWaalsContact C-N 3.28Å; F108-S110 PolarHBondContact O-N 3.29Å; S110-R112 VanDerWaalsContact C-N 3.32Å; S110-R112 PolarHBondContact O-N 2.55Å; S110-R112 PolarHBondContact OG-O 3.14Å
111	D	93.4	Very high	94.3	Very high	116 Å²	116	74.1 Å²	74.1	62%	0.62	35%	0.351	S	S	*	.	S	Bend	trans	-58	-47.4	176	-68	-34.9	0	0	0	110.7	T11 R105	T11-D111 HydrophobicContact CG2-CB 4.5Å; T11-D111 PolarHBondContact O-N 3.14Å; R105-D111 PolarHBondContact NH1-O 3.03Å; R105-D111 VanDerWaalsContact NH1-O 3.15Å; R105-D111 PolarHBondContact NH2-O 2.82Å
112	R	94.8	Very high	94.1	Very high	170 Å²	170	76.6 Å²	76.6	64%	0.642	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	127.7	179.8	176.9	179.9	171.8	-179.5	-4.1	110.4	F10 T11 S110	F10-R112 CarbonylContact C-O 3.53Å; F10-R112 WeakPolarHBondContact CA-O 3.31Å; T11-R112 PolarHBondContact N-O 3.47Å; S110-R112 VanDerWaalsContact C-N 3.32Å; S110-R112 PolarHBondContact O-N 2.55Å; S110-R112 PolarHBondContact OG-O 3.14Å
113	S	96.1	Very high	93.7	Very high	16 Å²	16	73.9 Å²	73.9	11%	0.112	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.9	167.6	60.8	0	0	0	0	109.1	D9 E101 R105	D9-S113 CarbonylContact O-C 3.43Å; D9-S113 WeakPolarHBondContact O-CA 3.42Å; E101-S113 WeakPolarHBondContact OE1-CB 3.2Å; E101-S113 VanDerWaalsContact OE1-O 3.09Å; E101-S113 PolarHBondContact OE1-OG 3.18Å; R105-S113 WeakPolarHBondContact CD-OG 3.43Å; R105-S113 VanDerWaalsContact NH1-N 3.19Å; R105-S113 PolarHBondContact NH1-OG 3.27Å
114	K	94.6	Very high	93.4	Very high	100 Å²	100	81 Å²	81	44%	0.435	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	139.5	172	-175.2	59	177.1	171.1	0	109.8	F8 D9 E101 L116	F8-K114 CarbonylContact C-O 3.54Å; F8-K114 WeakPolarHBondContact CA-O 3.4Å; D9-K114 PolarHBondContact N-O 3.4Å; D9-K114 PolarHBondContact O-N 3.02Å; E101-K114 PolarHBondContact OE1-N 2.87Å; K114-L116 HydrophobicContact CG-CD2 4.32Å
115	Y	93.4	Very high	93.1	Very high	31 Å²	31	82.8 Å²	82.8	12%	0.122	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	148.2	155.8	71.2	-87.9	0	0	0	110.5	L7 F8 F94 M97 R98 E101	L7-Y115 CarbonylContact O-C 3.53Å; L7-Y115 VanDerWaalsContact O-CA 3.22Å; L7-Y115 WeakPolarHBondContact O-CA 3.36Å; F8-Y115 VanDerWaalsContact CD1-CB 3.44Å; F8-Y115 HydrophobicContact CD1-CG 4.48Å; F8-Y115 HydrophobicContact CE1-CG 4.23Å; F94-Y115 WeakPolarHBondContact CD2-OH 3.31Å; F94-Y115 WeakPolarHBondContact CE2-OH 3.35Å; M97-Y115 HydrophobicContact CB-CD2 4.27Å; M97-Y115 HydrophobicContact CB-CE2 4.29Å; M97-Y115 HydrophobicContact CB-CG 4.44Å; M97-Y115 HydrophobicContact SD-CD2 4.32Å; M97-Y115 HydrophobicContact SD-CE2 4.47Å; R98-Y115 HydrophobicContact CB-CE1 4.42Å; E101-Y115 HydrophobicContact CB-CD1 4.13Å; E101-Y115 HydrophobicContact CG-CD1 4.35Å; E101-Y115 WeakPolarHBondContact OE2-CD1 3.24Å; E101-Y115 WeakPolarHBondContact OE2-CE1 3.08Å
116	L	92.6	Very high	92.9	Very high	66 Å²	66	82.7 Å²	82.7	35%	0.346	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-92	154.5	174.6	-56.1	-176.2	0	0	0	110.3	L7 K114	L7-L116 HydrophobicContact CB-CB 4.2Å; L7-L116 HydrophobicContact CB-CD1 4.04Å; L7-L116 HydrophobicContact CB-CG 4.21Å; L7-L116 HydrophobicContact CD1-CD1 3.87Å; L7-L116 PolarHBondContact O-N 3Å; K114-L116 HydrophobicContact CG-CD2 4.32Å
117	P	91	Very high	92.8	Very high	93 Å²	93	76.4 Å²	76.4	60%	0.604	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-51.2	137.2	169.7	-25.7	35.4	0	0	0	110.9	I119	P117-I119 PolarHBondContact O-N 2.8Å
118	P	92.3	Very high	92.8	Very high	39 Å²	39	74.1 Å²	74.1	25%	0.253	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-57.4	133.8	177.3	-24.2	33.4	0	0	0	111.5	T5 I6 M97	T5-P118 WeakPolarHBondContact O-CA 3.44Å; I6-P118 HydrophobicContact CG1-CB 4.19Å; I6-P118 HydrophobicContact CG1-CG 4.16Å; M97-P118 HydrophobicContact CE-CG 3.93Å; M97-P118 HydrophobicContact SD-CG 3.79Å
119	I	93.8	Very high	92.8	Very high	54 Å²	54	74.7 Å²	74.7	28%	0.277	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.1	176.9	-56.2	-61.2	0	0	0	109.4	T5 P117 R121 Y128	T5-I119 PolarHBondContact N-O 2.75Å; T5-I119 PolarHBondContact O-N 2.86Å; P117-I119 PolarHBondContact O-N 2.8Å; I119-R121 HydrophobicContact CG2-CG 4.01Å; I119-Y128 HydrophobicContact CD1-CE1 4.41Å; I119-Y128 HydrophobicContact CG2-CE2 3.96Å
120	K	92.7	Very high	92.8	Very high	85 Å²	85	72 Å²	72	37%	0.37	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	124.1	175.2	-60.5	178.2	-165	131.4	0	110.2	A2 I127 Y128 E138	A2-K120 HydrophobicContact CB-CB 4.17Å; K120-I127 HydrophobicContact CB-CD1 4.38Å; K120-I127 HydrophobicContact CD-CD1 3.88Å; K120-Y128 HydrophobicContact CB-CE2 4.08Å; K120-Y128 PolarHBondContact N-OH 3.38Å; K120-Y128 VanDerWaalsContact N-OH 3.1Å; K120-Y128 WeakPolarHBondContact O-CE2 3.33Å; K120-E138 IonicContact NZ-OE1 2.79Å; K120-E138 PolarHBondContact NZ-OE1 2.95Å
121	R	92.5	Very high	92.7	Very high	133 Å²	133	72 Å²	72	50%	0.502	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.5	-176.5	-62.7	173.7	64.9	-149	-2.3	111.1	A2 A3 T5 E81 I119 G123	A2-R121 CarbonylContact C-O 3.49Å; A2-R121 WeakPolarHBondContact CA-O 3.46Å; A3-R121 HydrophobicContact CB-CB 4.37Å; A3-R121 PolarHBondContact N-O 3.22Å; A3-R121 PolarHBondContact O-N 3.19Å; T5-R121 VanDerWaalsContact OG1-CD 3.31Å; T5-R121 WeakPolarHBondContact OG1-CD 3.48Å; E81-R121 IonicContact OE2-CZ 3.41Å; E81-R121 IonicContact OE2-NH1 3.57Å; E81-R121 PolarHBondContact OE2-NH1 3.08Å; I119-R121 HydrophobicContact CG2-CG 4.01Å; R121-G123 PolarHBondContact O-N 2.99Å
122	G	90.4	Very high	92.7	Very high	78 Å²	78	67.1 Å²	67.1	80%	0.804	34%	0.344	S	S	*	.	S	Bend	trans	67.7	24.9	179.6	0	0	0	0	0	113.9
123	G	87.6	Confident	92.6	Very high	33 Å²	33	61.3 Å²	61.3	34%	0.34	33%	0.326	S	S	.	.			trans	-60.8	151.8	167.8	0	0	0	0	0	111.1	M1 R121 I125	M1-G123 WeakPolarHBondContact O-CA 3.46Å; R121-G123 PolarHBondContact O-N 2.99Å; G123-I125 PolarHBondContact O-N 3.26Å
124	Y	86.5	Confident	92.5	Very high	203 Å²	203	67.3 Å²	67.3	80%	0.796	35%	0.352	S	S	*	.	S	Bend	trans	-68	-20.4	170.7	-178.3	-96.9	0	0	0	112.2
125	I	91.2	Very high	92.4	Very high	38 Å²	38	68.6 Å²	68.6	20%	0.195	35%	0.354	C	S	.	.	S	Bend	trans	-120.5	125	-178.3	-54.5	-173.7	0	0	0	106.9	G123 I127 I141 D142 V144 M158	G123-I125 PolarHBondContact O-N 3.26Å; I125-I127 HydrophobicContact CG2-CG2 4.22Å; I125-I127 PolarHBondContact O-N 3.38Å; I125-I141 HydrophobicContact CG2-CB 4.33Å; I125-I141 HydrophobicContact CG2-CG2 3.55Å; I125-D142 VanDerWaalsContact CD1-C 3.42Å; I125-D142 VanDerWaalsContact CD1-O 3.27Å; I125-D142 WeakPolarHBondContact CD1-O 3.2Å; I125-V144 HydrophobicContact CG1-CG2 4.2Å; I125-V144 HydrophobicContact CG2-CG2 4.39Å; I125-M158 HydrophobicContact CG2-CE 3.51Å
126	D	91.7	Very high	92.5	Very high	94 Å²	94	73.2 Å²	73.2	50%	0.503	38%	0.38	S	S	.	.			trans	-74.4	119.6	172.1	-60.8	-49.8	0	0	0	109.2
127	I	94.3	Very high	92.6	Very high	24 Å²	24	70.9 Å²	70.9	12%	0.123	37%	0.367	C	S	.	.			trans	-115.3	-9.3	-177.5	65.8	171.6	0	0	0	112.7	K120 I125 E138 Y139 I141	K120-I127 HydrophobicContact CB-CD1 4.38Å; K120-I127 HydrophobicContact CD-CD1 3.88Å; I125-I127 HydrophobicContact CG2-CG2 4.22Å; I125-I127 PolarHBondContact O-N 3.38Å; I127-E138 HydrophobicContact CD1-CG 3.92Å; I127-E138 HydrophobicContact CG1-CG 4.33Å; I127-E138 WeakPolarHBondContact O-CA 3.5Å; I127-Y139 PolarHBondContact O-N 3.02Å; I127-I141 HydrophobicContact CG2-CB 4.37Å
128	Y	95.3	Very high	92.8	Very high	56 Å²	56	70.5 Å²	70.5	22%	0.22	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.6	178.5	-63.2	-73	0	0	0	109.4	I119 K120 I136 I137 E138	I119-Y128 HydrophobicContact CD1-CE1 4.41Å; I119-Y128 HydrophobicContact CG2-CE2 3.96Å; K120-Y128 HydrophobicContact CB-CE2 4.08Å; K120-Y128 PolarHBondContact N-OH 3.38Å; K120-Y128 VanDerWaalsContact N-OH 3.1Å; K120-Y128 WeakPolarHBondContact O-CE2 3.33Å; Y128-I136 HydrophobicContact CD1-CG2 3.74Å; Y128-I136 HydrophobicContact CG-CG2 4.39Å; Y128-I137 VanDerWaalsContact CA-O 3.27Å; Y128-I137 WeakPolarHBondContact CA-O 3.3Å; Y128-E138 HydrophobicContact CD1-CB 3.85Å; Y128-E138 HydrophobicContact CD1-CG 4.09Å; Y128-E138 HydrophobicContact CE1-CB 3.56Å; Y128-E138 HydrophobicContact CE1-CG 3.56Å; Y128-E138 PolarHBondContact OH-OE2 3.45Å
129	M	94.2	Very high	93.1	Very high	18 Å²	18	68.9 Å²	68.9	9%	0.089	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	-178.9	171.9	-53.4	163.4	-158.8	0	0	108.9	I137 Y139 I141 L168 Q173	M129-I137 PolarHBondContact N-O 3.28Å; M129-I137 PolarHBondContact O-N 3.04Å; M129-Y139 HydrophobicContact CB-CD2 4.47Å; M129-Y139 HydrophobicContact CB-CE2 3.91Å; M129-Y139 HydrophobicContact CE-CD2 4.04Å; M129-Y139 HydrophobicContact CE-CE2 4.34Å; M129-Y139 HydrophobicContact CE-CG 4.49Å; M129-Y139 HydrophobicContact CG-CD2 4.24Å; M129-Y139 HydrophobicContact CG-CE2 4.03Å; M129-Y139 HydrophobicContact SD-CD2 3.88Å; M129-Y139 HydrophobicContact SD-CE2 3.58Å; M129-Y139 VanDerWaalsContact SD-CE2 3.58Å; M129-I141 HydrophobicContact CE-CD1 3.46Å; M129-I141 VanDerWaalsContact CE-CD1 3.46Å; M129-L168 HydrophobicContact CE-CD1 4.44Å; M129-L168 HydrophobicContact CE-CD2 3.4Å; M129-L168 HydrophobicContact CE-CG 4.21Å; M129-L168 HydrophobicContact SD-CD2 4Å; M129-L168 HydrophobicContact SD-CG 4.38Å; M129-Q173 HydrophobicContact SD-CB 4.33Å
130	T	93.9	Very high	93.2	Very high	60 Å²	60	68.7 Å²	68.7	37%	0.368	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	142.1	177.4	49.5	0	0	0	0	111.8	R135 Q173	T130-R135 CarbonylContact C-O 3.46Å; T130-R135 VanDerWaalsContact CA-O 3.28Å; T130-R135 WeakPolarHBondContact CA-O 3.39Å; T130-Q173 PolarHBondContact O-NE2 3.02Å
131	S	94.5	Very high	93.4	Very high	6 Å²	6	65.3 Å²	65.3	4%	0.042	33%	0.332	C	S	.	.			trans	-65.8	170.8	162.9	61.8	0	0	0	0	111.2	D133 E134 R135 E357	S131-D133 WeakPolarHBondContact CB-OD1 3.28Å; S131-D133 PolarHBondContact O-N 2.9Å; S131-D133 VanDerWaalsContact O-N 3.12Å; S131-D133 PolarHBondContact OG-OD1 3.38Å; S131-E134 PolarHBondContact O-N 2.89Å; S131-R135 PolarHBondContact N-O 3.29Å; S131-R135 WeakPolarHBondContact OG-CA 3.32Å; S131-R135 VanDerWaalsContact OG-CB 3.24Å; S131-R135 WeakPolarHBondContact OG-CB 3.27Å; S131-R135 PolarHBondContact OG-N 2.69Å; S131-R135 PolarHBondContact OG-O 3.01Å; S131-E357 VanDerWaalsContact CB-CD 3.5Å; S131-E357 WeakPolarHBondContact CB-OE1 3.4Å
132	S	93.7	Very high	93.5	Very high	13 Å²	13	62.4 Å²	62.4	9%	0.091	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.8	175.6	58.1	0	0	0	0	113.8	I287 G322 C325 E357	S132-I287 WeakPolarHBondContact O-CD1 3.31Å; S132-I287 WeakPolarHBondContact O-CG1 3.3Å; S132-G322 VanDerWaalsContact OG-CA 3.23Å; S132-G322 WeakPolarHBondContact OG-CA 3.44Å; S132-G322 PolarHBondContact OG-N 2.74Å; S132-C325 PolarHBondContact O-SG 2.94Å; S132-C325 PolarHBondContact OG-SG 3.21Å; S132-E357 WeakPolarHBondContact CB-OE2 3.41Å; S132-E357 PolarHBondContact N-OE2 3.16Å; S132-E357 PolarHBondContact OG-OE1 2.75Å; S132-E357 PolarHBondContact OG-OE2 2.86Å
133	D	93.1	Very high	93.7	Very high	48 Å²	48	64.4 Å²	64.4	26%	0.257	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	29.7	174.6	64	-9.2	0	0	0	113.6	S131 R135 T324	S131-D133 WeakPolarHBondContact CB-OD1 3.28Å; S131-D133 PolarHBondContact O-N 2.9Å; S131-D133 VanDerWaalsContact O-N 3.12Å; S131-D133 PolarHBondContact OG-OD1 3.38Å; D133-R135 VanDerWaalsContact C-N 3.3Å; D133-R135 VanDerWaalsContact CG-NE 3.27Å; D133-R135 PolarHBondContact O-N 3.05Å; D133-R135 IonicContact OD1-CZ 3.5Å; D133-R135 IonicContact OD1-NE 3.31Å; D133-R135 PolarHBondContact OD1-NE 3.02Å; D133-R135 IonicContact OD1-NH2 2.62Å; D133-R135 PolarHBondContact OD1-NH2 3.05Å; D133-R135 IonicContact OD2-CZ 3.48Å; D133-R135 IonicContact OD2-NE 3.25Å; D133-R135 PolarHBondContact OD2-NE 3.19Å; D133-R135 VanDerWaalsContact OD2-NE 3.1Å; D133-R135 IonicContact OD2-NH2 3.63Å; D133-T324 VanDerWaalsContact CG-OG1 3.25Å; D133-T324 WeakPolarHBondContact OD2-CB 3.42Å; D133-T324 PolarHBondContact OD2-OG1 2.81Å
134	E	92.7	Very high	94.2	Very high	142 Å²	142	64.8 Å²	64.8	66%	0.664	31%	0.308	S	S	*	.	S	Bend	trans	66.7	16.2	171.4	-52.8	-173	137.5	0	0	116.4	S131 I287	S131-E134 PolarHBondContact O-N 2.89Å; E134-I287 HydrophobicContact CG-CG2 4.42Å
135	R	93.9	Very high	94.7	Very high	126 Å²	126	56.9 Å²	56.9	48%	0.475	28%	0.281	S	S	.	.			trans	-79.3	143	172.8	-56.1	173.8	-72.3	149.3	1.8	110.1	T130 S131 D133 E357	T130-R135 CarbonylContact C-O 3.46Å; T130-R135 VanDerWaalsContact CA-O 3.28Å; T130-R135 WeakPolarHBondContact CA-O 3.39Å; S131-R135 PolarHBondContact N-O 3.29Å; S131-R135 WeakPolarHBondContact OG-CA 3.32Å; S131-R135 VanDerWaalsContact OG-CB 3.24Å; S131-R135 WeakPolarHBondContact OG-CB 3.27Å; S131-R135 PolarHBondContact OG-N 2.69Å; S131-R135 PolarHBondContact OG-O 3.01Å; D133-R135 VanDerWaalsContact C-N 3.3Å; D133-R135 VanDerWaalsContact CG-NE 3.27Å; D133-R135 PolarHBondContact O-N 3.05Å; D133-R135 IonicContact OD1-CZ 3.5Å; D133-R135 IonicContact OD1-NE 3.31Å; D133-R135 PolarHBondContact OD1-NE 3.02Å; D133-R135 IonicContact OD1-NH2 2.62Å; D133-R135 PolarHBondContact OD1-NH2 3.05Å; D133-R135 IonicContact OD2-CZ 3.48Å; D133-R135 IonicContact OD2-NE 3.25Å; D133-R135 PolarHBondContact OD2-NE 3.19Å; D133-R135 VanDerWaalsContact OD2-NE 3.1Å; D133-R135 IonicContact OD2-NH2 3.63Å; R135-E357 IonicContact CZ-OE1 3.75Å; R135-E357 IonicContact NH2-OE1 3.51Å; R135-E357 PolarHBondContact NH2-OE1 3.02Å
136	I	94.2	Very high	95.1	Very high	128 Å²	128	57.4 Å²	57.4	66%	0.656	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	131.2	175.9	-59.4	172.9	0	0	0	110.1	Y128	Y128-I136 HydrophobicContact CD1-CG2 3.74Å; Y128-I136 HydrophobicContact CG-CG2 4.39Å
137	I	95.7	Very high	95.4	Very high	17 Å²	17	58 Å²	58	9%	0.087	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.5	171.8	-59.5	173.1	0	0	0	108.6	Y128 M129 Y139 M356	Y128-I137 VanDerWaalsContact CA-O 3.27Å; Y128-I137 WeakPolarHBondContact CA-O 3.3Å; M129-I137 PolarHBondContact N-O 3.28Å; M129-I137 PolarHBondContact O-N 3.04Å; I137-Y139 HydrophobicContact CB-CD2 4.45Å; I137-Y139 HydrophobicContact CB-CE2 3.83Å; I137-Y139 HydrophobicContact CG2-CD2 3.85Å; I137-Y139 HydrophobicContact CG2-CE1 4.42Å; I137-Y139 HydrophobicContact CG2-CE2 3.38Å; I137-M356 HydrophobicContact CD1-CB 4.31Å; I137-M356 HydrophobicContact CG2-CE 4.01Å; I137-M356 HydrophobicContact CG2-CG 4.14Å; I137-M356 HydrophobicContact CG2-SD 3.43Å; I137-M356 WeakPolarHBondContact CG2-SD 3.43Å
138	E	95.5	Very high	95.6	Very high	86 Å²	86	58.2 Å²	58.2	40%	0.402	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.5	168.5	-170.7	174.5	170.6	0	0	110	K120 I127 Y128	K120-E138 IonicContact NZ-OE1 2.79Å; K120-E138 PolarHBondContact NZ-OE1 2.95Å; I127-E138 HydrophobicContact CD1-CG 3.92Å; I127-E138 HydrophobicContact CG1-CG 4.33Å; I127-E138 WeakPolarHBondContact O-CA 3.5Å; Y128-E138 HydrophobicContact CD1-CB 3.85Å; Y128-E138 HydrophobicContact CD1-CG 4.09Å; Y128-E138 HydrophobicContact CE1-CB 3.56Å; Y128-E138 HydrophobicContact CE1-CG 3.56Å; Y128-E138 PolarHBondContact OH-OE2 3.45Å
139	Y	96.8	Very high	95.7	Very high	5 Å²	5	63.1 Å²	63.1	2%	0.02	31%	0.306	C	S	.	.			trans	-95.4	153	174.9	-68.6	-95.7	0	0	0	111.7	I127 M129 I137 I141 L163 M166 S354 M356	I127-Y139 PolarHBondContact O-N 3.02Å; M129-Y139 HydrophobicContact CB-CD2 4.47Å; M129-Y139 HydrophobicContact CB-CE2 3.91Å; M129-Y139 HydrophobicContact CE-CD2 4.04Å; M129-Y139 HydrophobicContact CE-CE2 4.34Å; M129-Y139 HydrophobicContact CE-CG 4.49Å; M129-Y139 HydrophobicContact CG-CD2 4.24Å; M129-Y139 HydrophobicContact CG-CE2 4.03Å; M129-Y139 HydrophobicContact SD-CD2 3.88Å; M129-Y139 HydrophobicContact SD-CE2 3.58Å; M129-Y139 VanDerWaalsContact SD-CE2 3.58Å; I137-Y139 HydrophobicContact CB-CD2 4.45Å; I137-Y139 HydrophobicContact CB-CE2 3.83Å; I137-Y139 HydrophobicContact CG2-CD2 3.85Å; I137-Y139 HydrophobicContact CG2-CE1 4.42Å; I137-Y139 HydrophobicContact CG2-CE2 3.38Å; Y139-I141 HydrophobicContact CG-CD1 4.18Å; Y139-I141 PolarHBondContact O-N 3.37Å; Y139-L163 HydrophobicContact CD1-CD1 3.87Å; Y139-L163 HydrophobicContact CE1-CD1 3.97Å; Y139-M166 HydrophobicContact CD1-CE 3.7Å; Y139-M166 HydrophobicContact CD1-SD 4.18Å; Y139-M166 HydrophobicContact CE1-CE 3.55Å; Y139-S354 WeakPolarHBondContact CE1-O 3.41Å; Y139-S354 VanDerWaalsContact CZ-O 3.3Å; Y139-S354 PolarHBondContact OH-O 3.43Å; Y139-M356 HydrophobicContact CD1-CE 3.79Å; Y139-M356 HydrophobicContact CE1-CE 3.89Å; Y139-M356 HydrophobicContact CG-CE 4.36Å
140	D	95.9	Very high	95.9	Very high	50 Å²	50	62.7 Å²	62.7	27%	0.267	31%	0.305	S	S	.	.			trans	-87.1	34.4	174.6	67	-9.4	0	0	0	112.8	D142 S160 K161 T162	D140-D142 PolarHBondContact O-N 3.19Å; D140-S160 WeakPolarHBondContact OD1-CB 3.46Å; D140-S160 PolarHBondContact OD1-OG 2.95Å; D140-K161 PolarHBondContact O-N 2.87Å; D140-K161 PolarHBondContact OD1-N 3.46Å; D140-K161 WeakPolarHBondContact OD2-CB 3.45Å; D140-T162 VanDerWaalsContact CG-OG1 3.28Å; D140-T162 PolarHBondContact OD1-OG1 3.22Å; D140-T162 WeakPolarHBondContact OD2-CB 3.4Å; D140-T162 WeakPolarHBondContact OD2-CG2 3.49Å; D140-T162 PolarHBondContact OD2-N 2.84Å; D140-T162 VanDerWaalsContact OD2-N 3.1Å; D140-T162 PolarHBondContact OD2-OG1 3.11Å
141	I	96.8	Very high	96	Very high	13 Å²	13	65.9 Å²	65.9	7%	0.067	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.7	180	-64.3	161.6	0	0	0	109.8	I125 I127 M129 Y139 M158 H159 M166	I125-I141 HydrophobicContact CG2-CB 4.33Å; I125-I141 HydrophobicContact CG2-CG2 3.55Å; I127-I141 HydrophobicContact CG2-CB 4.37Å; M129-I141 HydrophobicContact CE-CD1 3.46Å; M129-I141 VanDerWaalsContact CE-CD1 3.46Å; Y139-I141 HydrophobicContact CG-CD1 4.18Å; Y139-I141 PolarHBondContact O-N 3.37Å; I141-M158 HydrophobicContact CD1-CB 4.04Å; I141-M158 HydrophobicContact CG1-CB 4.35Å; I141-M158 HydrophobicContact CG2-CB 3.92Å; I141-M158 HydrophobicContact CG2-CE 3.75Å; I141-H159 VanDerWaalsContact CA-O 3.28Å; I141-H159 WeakPolarHBondContact CA-O 3.3Å; I141-H159 WeakPolarHBondContact CG2-O 3.39Å; I141-M166 HydrophobicContact CD1-SD 4.33Å; I141-M166 HydrophobicContact CG1-SD 4.21Å
142	D	95	Very high	96	Very high	73 Å²	73	70.4 Å²	70.4	39%	0.39	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	-6.6	-178.9	65.7	-3.3	0	0	0	114	I125 D140 H159 K161	I125-D142 VanDerWaalsContact CD1-C 3.42Å; I125-D142 VanDerWaalsContact CD1-O 3.27Å; I125-D142 WeakPolarHBondContact CD1-O 3.2Å; D140-D142 PolarHBondContact O-N 3.19Å; D142-H159 PolarHBondContact N-O 2.87Å; D142-H159 IonicContact OD1-CE1 2.85Å; D142-H159 IonicContact OD1-CG 3.61Å; D142-H159 IonicContact OD1-ND1 2.99Å; D142-H159 PolarHBondContact OD1-ND1 3.45Å; D142-H159 VanDerWaalsContact OD1-O 3.08Å; D142-H159 IonicContact OD2-ND1 2.64Å; D142-K161 HydrophobicContact CB-CG 4.45Å
143	K	96.1	Very high	96.2	Very high	119 Å²	119	71.6 Å²	71.6	52%	0.517	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	135.9	-179.8	-172.8	178.4	177.8	-174.6	0	113.9	V145 M158 H159	K143-V145 HydrophobicContact CD-CG2 4.29Å; K143-V145 HydrophobicContact CG-CG2 4.28Å; K143-M158 WeakPolarHBondContact O-CA 3.35Å; K143-H159 HydrophobicContact CB-CB 4.17Å; K143-H159 PolarHBondContact O-N 3.4Å
144	V	97.1	Very high	96.4	Very high	41 Å²	41	70.4 Å²	70.4	25%	0.248	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	109.8	158.3	-173.9	0	0	0	0	107.7	I125 E147 M158	I125-V144 HydrophobicContact CG1-CG2 4.2Å; I125-V144 HydrophobicContact CG2-CG2 4.39Å; V144-E147 HydrophobicContact CG1-CB 4.27Å; V144-M158 HydrophobicContact CB-SD 4.17Å; V144-M158 HydrophobicContact CG1-SD 4.05Å; V144-M158 HydrophobicContact CG2-CE 3.7Å; V144-M158 HydrophobicContact CG2-SD 3.86Å
145	V	98.1	Very high	96.7	Very high	37 Å²	37	63.7 Å²	63.7	22%	0.224	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-37.8	-178	179.3	0	0	0	0	111.1	K143 I157 H159 Y237	K143-V145 HydrophobicContact CD-CG2 4.29Å; K143-V145 HydrophobicContact CG-CG2 4.28Å; V145-I157 WeakPolarHBondContact CA-O 3.46Å; V145-I157 HydrophobicContact CB-CB 4.1Å; V145-I157 HydrophobicContact CB-CG2 3.84Å; V145-I157 WeakPolarHBondContact CB-O 3.41Å; V145-I157 HydrophobicContact CG1-CG2 4.21Å; V145-I157 HydrophobicContact CG2-CG2 4.31Å; V145-I157 PolarHBondContact N-O 3.15Å; V145-H159 HydrophobicContact CG2-CB 3.73Å; V145-Y237 HydrophobicContact CG1-CD1 3.54Å; V145-Y237 HydrophobicContact CG1-CE1 3.62Å; V145-Y237 HydrophobicContact CG1-CG 4.31Å
146	F	98.3	Very high	96.9	Very high	49 Å²	49	58 Å²	58	22%	0.215	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	145.7	178.9	176.3	-97	0	0	0	109.9	A148 I155 Q156 I157 L229 T233 Y237	F146-A148 HydrophobicContact CE1-CB 3.64Å; F146-A148 HydrophobicContact CE2-CB 4.33Å; F146-A148 HydrophobicContact CZ-CB 3.42Å; F146-A148 VanDerWaalsContact CZ-CB 3.42Å; F146-I155 HydrophobicContact CE1-CG2 4.43Å; F146-Q156 CarbonylContact O-C 3.51Å; F146-Q156 WeakPolarHBondContact O-CA 3.16Å; F146-I157 HydrophobicContact CB-CB 4.05Å; F146-I157 HydrophobicContact CB-CG1 4.13Å; F146-I157 PolarHBondContact N-O 3.01Å; F146-I157 PolarHBondContact O-N 3.27Å; F146-L229 HydrophobicContact CZ-CD1 4.43Å; F146-T233 HydrophobicContact CD1-CG2 3.41Å; F146-T233 VanDerWaalsContact CD1-CG2 3.41Å; F146-T233 HydrophobicContact CE1-CG2 3.66Å; F146-T233 VanDerWaalsContact CE1-OG1 3.31Å; F146-T233 WeakPolarHBondContact CE1-OG1 3.37Å; F146-T233 HydrophobicContact CG-CG2 4.15Å; F146-Y237 HydrophobicContact CB-CD2 4.12Å; F146-Y237 HydrophobicContact CB-CE2 3.62Å; F146-Y237 AromaticContact CD2-CE2 3.82Å; F146-Y237 HydrophobicContact CD2-CE2 3.82Å; F146-Y237 HydrophobicContact CG-CD2 4.42Å; F146-Y237 AromaticContact CG-CE2 3.75Å; F146-Y237 HydrophobicContact CG-CE2 3.75Å
147	E	98	Very high	97.1	Very high	107 Å²	107	51.9 Å²	51.9	50%	0.5	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	132.2	170.4	179.8	170.3	129.5	0	0	109.2	V144 I155 Q156	V144-E147 HydrophobicContact CG1-CB 4.27Å; E147-I155 WeakPolarHBondContact CA-O 3.47Å; E147-Q156 HydrophobicContact CB-CG 4.11Å; E147-Q156 HydrophobicContact CG-CG 3.78Å; E147-Q156 PolarHBondContact OE2-NE2 2.89Å
148	A	98.2	Very high	97.2	Very high	29 Å²	29	51.1 Å²	51.1	24%	0.24	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	170.2	171.7	0	0	0	0	0	110.1	F146 I155 L229	F146-A148 HydrophobicContact CE1-CB 3.64Å; F146-A148 HydrophobicContact CE2-CB 4.33Å; F146-A148 HydrophobicContact CZ-CB 3.42Å; F146-A148 VanDerWaalsContact CZ-CB 3.42Å; A148-I155 PolarHBondContact N-O 3.11Å; A148-I155 PolarHBondContact O-N 3.25Å; A148-L229 HydrophobicContact CB-CD2 3.93Å
149	R	98.5	Very high	97.4	Very high	158 Å²	158	50 Å²	50	60%	0.596	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.3	170.4	178.9	162.3	-82.7	-80.3	4.2	109.1	Q153 K154 D170	R149-Q153 WeakPolarHBondContact CA-O 3.13Å; R149-K154 VanDerWaalsContact NH2-CB 3.32Å; R149-D170 IonicContact CZ-OD1 2.69Å; R149-D170 IonicContact NH1-OD1 3.83Å; R149-D170 IonicContact NH2-OD1 3.84Å; R149-D170 PolarHBondContact NH2-OD1 3.14Å
150	S	97.7	Very high	97.4	Very high	10 Å²	10	49.8 Å²	49.8	7%	0.07	25%	0.248	C	C	.	.			trans	-82.9	175.7	169.6	77.3	0	0	0	0	109.6	F152 Q153 D227	S150-F152 PolarHBondContact O-N 3.49Å; S150-F152 VanDerWaalsContact O-N 3.13Å; S150-F152 PolarHBondContact OG-N 3.43Å; S150-Q153 PolarHBondContact N-O 2.98Å; S150-Q153 PolarHBondContact OG-N 3.06Å; S150-Q153 VanDerWaalsContact OG-N 3.07Å; S150-Q153 PolarHBondContact OG-O 3.38Å; S150-D227 WeakPolarHBondContact CB-OD1 3.43Å; S150-D227 VanDerWaalsContact CB-OD2 3.27Å; S150-D227 WeakPolarHBondContact CB-OD2 3.38Å; S150-D227 PolarHBondContact OG-OD2 3.22Å
151	P	96.6	Very high	97.5	Very high	127 Å²	127	54.3 Å²	54.3	83%	0.825	27%	0.265	S	S	*	.	S	Bend	trans	-59.1	-15.1	168	-24.7	36.3	0	0	0	114.4
152	F	95	Very high	97.6	Very high	101 Å²	101	58.7 Å²	58.7	44%	0.443	29%	0.293	S	S	.	.	S	Bend	trans	-104.1	-44.3	-174.2	-52.8	-76.5	0	0	0	112.2	S150 I226 D227	S150-F152 PolarHBondContact O-N 3.49Å; S150-F152 VanDerWaalsContact O-N 3.13Å; S150-F152 PolarHBondContact OG-N 3.43Å; F152-I226 HydrophobicContact CD1-CD1 4.14Å; F152-I226 HydrophobicContact CD1-CG1 4.41Å; F152-I226 HydrophobicContact CD1-CG2 4.34Å; F152-I226 HydrophobicContact CE1-CD1 3.5Å; F152-I226 VanDerWaalsContact CE1-CD1 3.5Å; F152-I226 HydrophobicContact CE1-CG1 3.69Å; F152-I226 HydrophobicContact CE1-CG2 4.43Å; F152-I226 HydrophobicContact CE2-CG1 4.29Å; F152-I226 WeakPolarHBondContact CE2-O 3.36Å; F152-I226 HydrophobicContact CG-CG2 4.41Å; F152-I226 HydrophobicContact CZ-CD1 3.97Å; F152-I226 HydrophobicContact CZ-CG1 3.62Å; F152-D227 HydrophobicContact CD2-CB 3.92Å
153	Q	96.8	Very high	97.7	Very high	37 Å²	37	55.9 Å²	55.9	17%	0.173	28%	0.277	C	S	.	.			trans	-160	164	-167.9	61.6	-156.1	-33.2	0	0	113.5	R149 S150 I155 L169 D170 D227	R149-Q153 WeakPolarHBondContact CA-O 3.13Å; S150-Q153 PolarHBondContact N-O 2.98Å; S150-Q153 PolarHBondContact OG-N 3.06Å; S150-Q153 VanDerWaalsContact OG-N 3.07Å; S150-Q153 PolarHBondContact OG-O 3.38Å; Q153-I155 HydrophobicContact CG-CG1 4.01Å; Q153-L169 HydrophobicContact CG-CD2 4.3Å; Q153-D170 VanDerWaalsContact CB-OD2 3.29Å; Q153-D170 WeakPolarHBondContact CB-OD2 3.35Å; Q153-D227 PolarHBondContact NE2-OD2 3.22Å
154	K	98	Very high	97.8	Very high	24 Å²	24	50.8 Å²	50.8	10%	0.104	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	133.1	164.8	-178.2	-173.2	-168.7	-158.4	0	108.3	R149 Q156 L169 D170 E171	R149-K154 VanDerWaalsContact NH2-CB 3.32Å; K154-Q156 HydrophobicContact CD-CG 4.47Å; K154-Q156 VanDerWaalsContact CE-CD 3.42Å; K154-Q156 HydrophobicContact CG-CG 4.27Å; K154-L169 CarbonylContact O-C 3.59Å; K154-L169 WeakPolarHBondContact O-CA 3.49Å; K154-D170 WeakPolarHBondContact CB-OD1 3.29Å; K154-D170 PolarHBondContact N-OD1 3.42Å; K154-D170 PolarHBondContact O-N 3.01Å; K154-E171 HydrophobicContact CD-CG 4.02Å; K154-E171 IonicContact NZ-OE1 3.53Å; K154-E171 PolarHBondContact NZ-OE1 3.18Å
155	I	98.6	Very high	97.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.5	-178.8	-57.3	162.7	0	0	0	107.1	F146 E147 A148 Q153 L167 L169 L229 V230 T233	F146-I155 HydrophobicContact CE1-CG2 4.43Å; E147-I155 WeakPolarHBondContact CA-O 3.47Å; A148-I155 PolarHBondContact N-O 3.11Å; A148-I155 PolarHBondContact O-N 3.25Å; Q153-I155 HydrophobicContact CG-CG1 4.01Å; I155-L167 HydrophobicContact CG2-CD1 3.98Å; I155-L169 HydrophobicContact CB-CD2 4.37Å; I155-L169 HydrophobicContact CG1-CD2 3.92Å; I155-L169 HydrophobicContact CG2-CD2 4.22Å; I155-L229 HydrophobicContact CD1-CB 3.8Å; I155-L229 HydrophobicContact CD1-CD2 3.87Å; I155-L229 HydrophobicContact CD1-CG 3.65Å; I155-V230 HydrophobicContact CD1-CB 4.46Å; I155-V230 HydrophobicContact CD1-CG2 3.57Å; I155-V230 HydrophobicContact CG1-CG2 3.83Å; I155-T233 HydrophobicContact CG2-CG2 4.07Å
156	Q	98.2	Very high	97.9	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.028	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	142.8	177.3	-71	172.4	-73	0	0	110.3	F146 E147 K154 M158 L168	F146-Q156 CarbonylContact O-C 3.51Å; F146-Q156 WeakPolarHBondContact O-CA 3.16Å; E147-Q156 HydrophobicContact CB-CG 4.11Å; E147-Q156 HydrophobicContact CG-CG 3.78Å; E147-Q156 PolarHBondContact OE2-NE2 2.89Å; K154-Q156 HydrophobicContact CD-CG 4.47Å; K154-Q156 VanDerWaalsContact CE-CD 3.42Å; K154-Q156 HydrophobicContact CG-CG 4.27Å; Q156-M158 HydrophobicContact CB-CG 4.32Å; Q156-M158 HydrophobicContact CB-SD 4.24Å; Q156-L168 HydrophobicContact CB-CB 4.14Å; Q156-L168 PolarHBondContact N-O 2.62Å; Q156-L168 PolarHBondContact O-N 3.44Å
157	I	98.6	Very high	97.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116.4	160.7	-56.9	-67.3	0	0	0	107.5	V145 F146 N165 M166 L167 T233 Y237 L238	V145-I157 WeakPolarHBondContact CA-O 3.46Å; V145-I157 HydrophobicContact CB-CB 4.1Å; V145-I157 HydrophobicContact CB-CG2 3.84Å; V145-I157 WeakPolarHBondContact CB-O 3.41Å; V145-I157 HydrophobicContact CG1-CG2 4.21Å; V145-I157 HydrophobicContact CG2-CG2 4.31Å; V145-I157 PolarHBondContact N-O 3.15Å; F146-I157 HydrophobicContact CB-CB 4.05Å; F146-I157 HydrophobicContact CB-CG1 4.13Å; F146-I157 PolarHBondContact N-O 3.01Å; F146-I157 PolarHBondContact O-N 3.27Å; I157-N165 HydrophobicContact CG2-CB 3.89Å; I157-M166 VanDerWaalsContact CA-O 3.29Å; I157-M166 WeakPolarHBondContact CA-O 3.29Å; I157-L167 HydrophobicContact CD1-CB 4.37Å; I157-L167 HydrophobicContact CD1-CD1 3.96Å; I157-T233 HydrophobicContact CD1-CG2 3.78Å; I157-T233 HydrophobicContact CG1-CG2 3.41Å; I157-T233 VanDerWaalsContact CG1-CG2 3.41Å; I157-Y237 HydrophobicContact CG1-CD2 3.93Å; I157-Y237 HydrophobicContact CG1-CG 4.14Å; I157-Y237 HydrophobicContact CG2-CG 4.48Å; I157-L238 HydrophobicContact CD1-CD1 4.03Å; I157-L238 HydrophobicContact CD1-CG 4.33Å
158	M	98	Very high	97.9	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.1	178.1	-54.7	-61.6	-75.8	0	0	108.3	I125 I141 K143 V144 Q156 N165 M166 L168	I125-M158 HydrophobicContact CG2-CE 3.51Å; I141-M158 HydrophobicContact CD1-CB 4.04Å; I141-M158 HydrophobicContact CG1-CB 4.35Å; I141-M158 HydrophobicContact CG2-CB 3.92Å; I141-M158 HydrophobicContact CG2-CE 3.75Å; K143-M158 WeakPolarHBondContact O-CA 3.35Å; V144-M158 HydrophobicContact CB-SD 4.17Å; V144-M158 HydrophobicContact CG1-SD 4.05Å; V144-M158 HydrophobicContact CG2-CE 3.7Å; V144-M158 HydrophobicContact CG2-SD 3.86Å; Q156-M158 HydrophobicContact CB-CG 4.32Å; Q156-M158 HydrophobicContact CB-SD 4.24Å; M158-N165 CarbonylContact O-C 3.55Å; M158-M166 PolarHBondContact N-O 3.38Å; M158-M166 PolarHBondContact O-N 3.39Å; M158-L168 HydrophobicContact CB-CD1 4.07Å; M158-L168 HydrophobicContact CG-CD1 3.78Å; M158-L168 HydrophobicContact CG-CD2 3.73Å; M158-L168 HydrophobicContact CG-CG 4.33Å
159	H	98.4	Very high	97.9	Very high	63 Å²	63	41 Å²	41	29%	0.292	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122	175.1	177.1	-86.4	0	0	0	109.9	I141 D142 K143 V145 N165	I141-H159 VanDerWaalsContact CA-O 3.28Å; I141-H159 WeakPolarHBondContact CA-O 3.3Å; I141-H159 WeakPolarHBondContact CG2-O 3.39Å; D142-H159 PolarHBondContact N-O 2.87Å; D142-H159 IonicContact OD1-CE1 2.85Å; D142-H159 IonicContact OD1-CG 3.61Å; D142-H159 IonicContact OD1-ND1 2.99Å; D142-H159 PolarHBondContact OD1-ND1 3.45Å; D142-H159 VanDerWaalsContact OD1-O 3.08Å; D142-H159 IonicContact OD2-ND1 2.64Å; K143-H159 HydrophobicContact CB-CB 4.17Å; K143-H159 PolarHBondContact O-N 3.4Å; V145-H159 HydrophobicContact CG2-CB 3.73Å; H159-N165 PolarHBondContact CD2-OD1 3.37Å
160	S	98.3	Very high	97.7	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	140.8	171.8	152.1	0	0	0	0	109.9	D140 T162 L163 G164 M166	D140-S160 WeakPolarHBondContact OD1-CB 3.46Å; D140-S160 PolarHBondContact OD1-OG 2.95Å; S160-T162 VanDerWaalsContact C-N 3.26Å; S160-T162 PolarHBondContact O-N 2.89Å; S160-T162 PolarHBondContact OG-N 2.95Å; S160-L163 WeakPolarHBondContact OG-CB 3.49Å; S160-L163 WeakPolarHBondContact OG-CG 3.4Å; S160-L163 PolarHBondContact OG-N 2.69Å; S160-G164 PolarHBondContact N-O 3Å; S160-G164 WeakPolarHBondContact O-CA 3.47Å; S160-G164 PolarHBondContact O-N 3.33Å; S160-M166 VanDerWaalsContact CB-SD 3.56Å
161	K	97.9	Very high	97.5	Very high	145 Å²	145	41.6 Å²	41.6	63%	0.63	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-32.2	-179.8	-61.2	172.2	-170.9	176.9	0	112.4	D140 D142	D140-K161 PolarHBondContact O-N 2.87Å; D140-K161 PolarHBondContact OD1-N 3.46Å; D140-K161 WeakPolarHBondContact OD2-CB 3.45Å; D142-K161 HydrophobicContact CB-CG 4.45Å
162	T	97.7	Very high	97.3	Very high	104 Å²	104	39.5 Å²	39.5	64%	0.638	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-23	-177.2	48.9	0	0	0	0	113.9	D140 S160	D140-T162 VanDerWaalsContact CG-OG1 3.28Å; D140-T162 PolarHBondContact OD1-OG1 3.22Å; D140-T162 WeakPolarHBondContact OD2-CB 3.4Å; D140-T162 WeakPolarHBondContact OD2-CG2 3.49Å; D140-T162 PolarHBondContact OD2-N 2.84Å; D140-T162 VanDerWaalsContact OD2-N 3.1Å; D140-T162 PolarHBondContact OD2-OG1 3.11Å; S160-T162 VanDerWaalsContact C-N 3.26Å; S160-T162 PolarHBondContact O-N 2.89Å; S160-T162 PolarHBondContact OG-N 2.95Å
163	L	98.2	Very high	97.3	Very high	14 Å²	14	35.6 Å²	35.6	7%	0.073	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-12.7	-175.1	-52.9	167.3	0	0	0	113.7	Y139 S160 M166 A176 S178 P353	Y139-L163 HydrophobicContact CD1-CD1 3.87Å; Y139-L163 HydrophobicContact CE1-CD1 3.97Å; S160-L163 WeakPolarHBondContact OG-CB 3.49Å; S160-L163 WeakPolarHBondContact OG-CG 3.4Å; S160-L163 PolarHBondContact OG-N 2.69Å; L163-M166 HydrophobicContact CB-CG 4.27Å; L163-M166 HydrophobicContact CB-SD 4.29Å; L163-M166 HydrophobicContact CD1-CE 4.06Å; L163-M166 HydrophobicContact CD1-SD 3.72Å; L163-A176 HydrophobicContact CB-CB 4.09Å; L163-S178 VanDerWaalsContact CD2-OG 3.31Å; L163-S178 WeakPolarHBondContact CD2-OG 3.25Å; L163-S178 PolarHBondContact O-N 2.99Å; L163-S178 PolarHBondContact O-OG 3.37Å; L163-P353 HydrophobicContact CD2-CB 3.66Å
164	G	98.4	Very high	97.3	Very high	13 Å²	13	37 Å²	37	13%	0.134	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.7	-151.6	-172.5	0	0	0	0	0	111.7	S160	S160-G164 PolarHBondContact N-O 3Å; S160-G164 WeakPolarHBondContact O-CA 3.47Å; S160-G164 PolarHBondContact O-N 3.33Å
165	N	98.7	Very high	97.3	Very high	27 Å²	27	36 Å²	36	14%	0.144	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	138	172.9	-69.1	-24.8	0	0	0	110.6	I157 M158 H159 A176 E177 Y237 L238	I157-N165 HydrophobicContact CG2-CB 3.89Å; M158-N165 CarbonylContact O-C 3.55Å; H159-N165 PolarHBondContact CD2-OD1 3.37Å; N165-A176 VanDerWaalsContact O-CA 3.3Å; N165-A176 WeakPolarHBondContact O-CA 3.39Å; N165-E177 HydrophobicContact CB-CG 4.26Å; N165-E177 PolarHBondContact ND2-OE1 3.21Å; N165-E177 PolarHBondContact O-N 2.9Å; N165-Y237 PolarHBondContact ND2-O 3.33Å; N165-L238 HydrophobicContact CB-CD2 3.79Å; N165-L238 WeakPolarHBondContact O-CD2 3.05Å
166	M	98.5	Very high	97.3	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.9	179.3	-56.3	172.2	58.5	0	0	109.2	Y139 I141 I157 M158 S160 L163 L168 Q173 I175 A176	Y139-M166 HydrophobicContact CD1-CE 3.7Å; Y139-M166 HydrophobicContact CD1-SD 4.18Å; Y139-M166 HydrophobicContact CE1-CE 3.55Å; I141-M166 HydrophobicContact CD1-SD 4.33Å; I141-M166 HydrophobicContact CG1-SD 4.21Å; I157-M166 VanDerWaalsContact CA-O 3.29Å; I157-M166 WeakPolarHBondContact CA-O 3.29Å; M158-M166 PolarHBondContact N-O 3.38Å; M158-M166 PolarHBondContact O-N 3.39Å; S160-M166 VanDerWaalsContact CB-SD 3.56Å; L163-M166 HydrophobicContact CB-CG 4.27Å; L163-M166 HydrophobicContact CB-SD 4.29Å; L163-M166 HydrophobicContact CD1-CE 4.06Å; L163-M166 HydrophobicContact CD1-SD 3.72Å; M166-L168 HydrophobicContact CB-CD1 3.79Å; M166-L168 HydrophobicContact CE-CD1 4.37Å; M166-Q173 HydrophobicContact CE-CB 4.41Å; M166-I175 CarbonylContact C-O 3.6Å; M166-I175 WeakPolarHBondContact CA-O 3.5Å; M166-A176 HydrophobicContact CB-CB 4.33Å; M166-A176 HydrophobicContact CG-CB 3.73Å
167	L	98.6	Very high	97.3	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	127	164.7	179.3	66.2	0	0	0	109.2	I155 I157 L169 N174 I175 D206 V230 L238	I155-L167 HydrophobicContact CG2-CD1 3.98Å; I157-L167 HydrophobicContact CD1-CB 4.37Å; I157-L167 HydrophobicContact CD1-CD1 3.96Å; L167-L169 HydrophobicContact CD1-CD2 3.92Å; L167-L169 HydrophobicContact CD2-CD1 4.44Å; L167-L169 HydrophobicContact CD2-CD2 4.35Å; L167-L169 HydrophobicContact CD2-CG 4.33Å; L167-L169 HydrophobicContact CG-CD2 4.14Å; L167-L169 HydrophobicContact CG-CG 4.23Å; L167-N174 HydrophobicContact CB-CB 4.35Å; L167-N174 HydrophobicContact CD2-CB 4.02Å; L167-N174 HydrophobicContact CG-CB 4.07Å; L167-N174 PolarHBondContact O-N 3Å; L167-I175 HydrophobicContact CB-CG2 4.06Å; L167-I175 HydrophobicContact CD2-CG2 4.38Å; L167-I175 PolarHBondContact N-O 3.14Å; L167-D206 HydrophobicContact CD2-CB 4.34Å; L167-V230 HydrophobicContact CD2-CG1 4.24Å; L167-L238 HydrophobicContact CB-CD1 3.75Å
168	L	97.8	Very high	97.3	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.026	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135.7	167.2	-75.2	61.7	0	0	0	109.2	M129 Q156 M158 M166 L172	M129-L168 HydrophobicContact CE-CD1 4.44Å; M129-L168 HydrophobicContact CE-CD2 3.4Å; M129-L168 HydrophobicContact CE-CG 4.21Å; M129-L168 HydrophobicContact SD-CD2 4Å; M129-L168 HydrophobicContact SD-CG 4.38Å; Q156-L168 HydrophobicContact CB-CB 4.14Å; Q156-L168 PolarHBondContact N-O 2.62Å; Q156-L168 PolarHBondContact O-N 3.44Å; M158-L168 HydrophobicContact CB-CD1 4.07Å; M158-L168 HydrophobicContact CG-CD1 3.78Å; M158-L168 HydrophobicContact CG-CD2 3.73Å; M158-L168 HydrophobicContact CG-CG 4.33Å; M166-L168 HydrophobicContact CB-CD1 3.79Å; M166-L168 HydrophobicContact CE-CD1 4.37Å; L168-L172 CarbonylContact C-O 3.52Å; L168-L172 WeakPolarHBondContact CA-O 3.43Å
169	L	96.7	Very high	97.3	Very high	22 Å²	22	40.7 Å²	40.7	12%	0.115	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124	175	-59.2	-177.1	0	0	0	108.7	Q153 K154 I155 L167 E171 L172 N174 V230	Q153-L169 HydrophobicContact CG-CD2 4.3Å; K154-L169 CarbonylContact O-C 3.59Å; K154-L169 WeakPolarHBondContact O-CA 3.49Å; I155-L169 HydrophobicContact CB-CD2 4.37Å; I155-L169 HydrophobicContact CG1-CD2 3.92Å; I155-L169 HydrophobicContact CG2-CD2 4.22Å; L167-L169 HydrophobicContact CD1-CD2 3.92Å; L167-L169 HydrophobicContact CD2-CD1 4.44Å; L167-L169 HydrophobicContact CD2-CD2 4.35Å; L167-L169 HydrophobicContact CD2-CG 4.33Å; L167-L169 HydrophobicContact CG-CD2 4.14Å; L167-L169 HydrophobicContact CG-CG 4.23Å; L169-E171 PolarHBondContact O-N 2.95Å; L169-E171 VanDerWaalsContact O-N 3.16Å; L169-L172 PolarHBondContact N-O 3.5Å; L169-L172 PolarHBondContact O-N 2.89Å; L169-N174 HydrophobicContact CD1-CB 4.46Å; L169-N174 WeakPolarHBondContact CD1-ND2 3.27Å; L169-N174 HydrophobicContact CG-CB 4.32Å; L169-V230 HydrophobicContact CD2-CG2 3.79Å
170	D	95.4	Very high	97.3	Very high	75 Å²	75	41.2 Å²	41.2	40%	0.401	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.8	46.7	-171.3	-73.3	-39.4	0	0	0	112.8	R149 Q153 K154 L172	R149-D170 IonicContact CZ-OD1 2.69Å; R149-D170 IonicContact NH1-OD1 3.83Å; R149-D170 IonicContact NH2-OD1 3.84Å; R149-D170 PolarHBondContact NH2-OD1 3.14Å; Q153-D170 VanDerWaalsContact CB-OD2 3.29Å; Q153-D170 WeakPolarHBondContact CB-OD2 3.35Å; K154-D170 WeakPolarHBondContact CB-OD1 3.29Å; K154-D170 PolarHBondContact N-OD1 3.42Å; K154-D170 PolarHBondContact O-N 3.01Å; D170-L172 PolarHBondContact O-N 2.95Å
171	E	92.3	Very high	97.3	Very high	107 Å²	107	43.7 Å²	43.7	50%	0.5	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	5.9	176.5	-52.2	176.9	170.5	0	0	115	K154 L169	K154-E171 HydrophobicContact CD-CG 4.02Å; K154-E171 IonicContact NZ-OE1 3.53Å; K154-E171 PolarHBondContact NZ-OE1 3.18Å; L169-E171 PolarHBondContact O-N 2.95Å; L169-E171 VanDerWaalsContact O-N 3.16Å
172	L	93.3	Very high	97.3	Very high	83 Å²	83	37.3 Å²	37.3	44%	0.435	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	136	173.5	-62.1	176.8	0	0	0	111.4	L168 L169 D170 N174	L168-L172 CarbonylContact C-O 3.52Å; L168-L172 WeakPolarHBondContact CA-O 3.43Å; L169-L172 PolarHBondContact N-O 3.5Å; L169-L172 PolarHBondContact O-N 2.89Å; D170-L172 PolarHBondContact O-N 2.95Å; L172-N174 PolarHBondContact O-N 2.81Å
173	Q	94.7	Very high	97.3	Very high	18 Å²	18	32.6 Å²	32.6	8%	0.084	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	132.3	175	65.9	-76.7	5	0	0	111.3	M129 T130 M166 F355	M129-Q173 HydrophobicContact SD-CB 4.33Å; T130-Q173 PolarHBondContact O-NE2 3.02Å; M166-Q173 HydrophobicContact CE-CB 4.41Å; Q173-F355 HydrophobicContact CB-CD1 4.43Å; Q173-F355 HydrophobicContact CG-CD1 3.61Å; Q173-F355 HydrophobicContact CG-CE1 4.06Å
174	N	96.4	Very high	97.3	Very high	66 Å²	66	33.8 Å²	33.8	35%	0.353	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-49.2	-178.7	-123.3	-92.9	0	0	0	112.4	L167 L169 L172 F355	L167-N174 HydrophobicContact CB-CB 4.35Å; L167-N174 HydrophobicContact CD2-CB 4.02Å; L167-N174 HydrophobicContact CG-CB 4.07Å; L167-N174 PolarHBondContact O-N 3Å; L169-N174 HydrophobicContact CD1-CB 4.46Å; L169-N174 WeakPolarHBondContact CD1-ND2 3.27Å; L169-N174 HydrophobicContact CG-CB 4.32Å; L172-N174 PolarHBondContact O-N 2.81Å; N174-F355 VanDerWaalsContact O-CE1 3.29Å; N174-F355 WeakPolarHBondContact O-CE1 3.41Å; N174-F355 WeakPolarHBondContact O-CZ 3.47Å
175	I	98.1	Very high	97.3	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.026	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	152.6	174.2	-164.2	162.7	0	0	0	110.6	M166 L167 D179 D206 A208 L238 I241	M166-I175 CarbonylContact C-O 3.6Å; M166-I175 WeakPolarHBondContact CA-O 3.5Å; L167-I175 HydrophobicContact CB-CG2 4.06Å; L167-I175 HydrophobicContact CD2-CG2 4.38Å; L167-I175 PolarHBondContact N-O 3.14Å; I175-D179 HydrophobicContact CG1-CB 3.93Å; I175-D206 HydrophobicContact CG2-CB 3.71Å; I175-A208 HydrophobicContact CD1-CB 4.04Å; I175-L238 HydrophobicContact CG2-CD1 4.33Å; I175-I241 HydrophobicContact CD1-CD1 3.92Å; I175-I241 HydrophobicContact CG1-CD1 4.09Å; I175-I241 HydrophobicContact CG2-CD1 3.9Å
176	A	98.5	Very high	97.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	166.2	172.1	0	0	0	0	0	112.4	L163 N165 M166 S178 D179	L163-A176 HydrophobicContact CB-CB 4.09Å; N165-A176 VanDerWaalsContact O-CA 3.3Å; N165-A176 WeakPolarHBondContact O-CA 3.39Å; M166-A176 HydrophobicContact CB-CB 4.33Å; M166-A176 HydrophobicContact CG-CB 3.73Å; A176-S178 PolarHBondContact O-N 3.31Å; A176-S178 VanDerWaalsContact O-N 3.11Å; A176-D179 WeakPolarHBondContact CB-OD2 3.2Å; A176-D179 PolarHBondContact N-OD2 2.81Å; A176-D179 PolarHBondContact O-N 3.13Å
177	E	98.7	Very high	97.3	Very high	63 Å²	63	32.7 Å²	32.7	29%	0.294	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.7	174.5	-66.7	-178.1	-178.9	0	0	113.5	N165 L238 V240	N165-E177 HydrophobicContact CB-CG 4.26Å; N165-E177 PolarHBondContact ND2-OE1 3.21Å; N165-E177 PolarHBondContact O-N 2.9Å; E177-L238 HydrophobicContact CG-CD2 3.83Å; E177-V240 HydrophobicContact CG-CB 4.5Å
178	S	98.3	Very high	97.3	Very high	42 Å²	42	33.5 Å²	33.5	29%	0.294	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-8.4	177.7	55	0	0	0	0	114.7	L163 A176 L180	L163-S178 VanDerWaalsContact CD2-OG 3.31Å; L163-S178 WeakPolarHBondContact CD2-OG 3.25Å; L163-S178 PolarHBondContact O-N 2.99Å; L163-S178 PolarHBondContact O-OG 3.37Å; A176-S178 PolarHBondContact O-N 3.31Å; A176-S178 VanDerWaalsContact O-N 3.11Å; S178-L180 PolarHBondContact O-N 2.99Å
179	D	98.5	Very high	97.3	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	24.5	-168.4	-63.3	-29.7	0	0	0	114.8	I175 A176 I181 Y182 V352 P353 S354	I175-D179 HydrophobicContact CG1-CB 3.93Å; A176-D179 WeakPolarHBondContact CB-OD2 3.2Å; A176-D179 PolarHBondContact N-OD2 2.81Å; A176-D179 PolarHBondContact O-N 3.13Å; D179-I181 PolarHBondContact O-N 3.38Å; D179-Y182 VanDerWaalsContact O-CB 3.24Å; D179-Y182 WeakPolarHBondContact O-CB 3.42Å; D179-Y182 PolarHBondContact O-N 3.2Å; D179-V352 HydrophobicContact CB-CG1 4.11Å; D179-V352 WeakPolarHBondContact OD1-CG1 3.43Å; D179-P353 VanDerWaalsContact OD1-CD 3.23Å; D179-P353 WeakPolarHBondContact OD1-CD 3.25Å; D179-S354 PolarHBondContact OD1-N 2.64Å; D179-S354 WeakPolarHBondContact OD2-CB 3.23Å; D179-S354 PolarHBondContact OD2-OG 2.9Å
180	L	98.1	Very high	97.2	Very high	74 Å²	74	37.9 Å²	37.9	39%	0.387	21%	0.212	S	C	.	.	H	α-helix	trans	-50.3	-32.7	174.2	178.1	61.3	0	0	0	112.1	S178 Y182 T183 E184 E212	S178-L180 PolarHBondContact O-N 2.99Å; L180-Y182 VanDerWaalsContact C-N 3.28Å; L180-Y182 PolarHBondContact O-N 2.99Å; L180-T183 PolarHBondContact O-N 3.07Å; L180-E184 HydrophobicContact CD1-CG 3.91Å; L180-E184 HydrophobicContact CG-CG 3.93Å; L180-E184 WeakPolarHBondContact O-CG 3.39Å; L180-E184 PolarHBondContact O-N 3.25Å; L180-E212 HydrophobicContact CD1-CG 3.9Å; L180-E212 WeakPolarHBondContact CD1-OE1 3.12Å
181	I	98.4	Very high	97.3	Very high	51 Å²	51	36.8 Å²	36.8	26%	0.262	21%	0.207	S	C	.	.	H	α-helix	trans	-60.6	-33.4	176.3	-169	60.7	0	0	0	113.5	D179 T185 A350 F351 P353	D179-I181 PolarHBondContact O-N 3.38Å; I181-T185 WeakPolarHBondContact O-CB 3.49Å; I181-T185 PolarHBondContact O-N 3.39Å; I181-T185 PolarHBondContact O-OG1 3.49Å; I181-A350 HydrophobicContact CG1-CB 3.94Å; I181-F351 WeakPolarHBondContact CG2-O 3.36Å; I181-P353 HydrophobicContact CG2-CG 4.46Å
182	Y	98.5	Very high	97.6	Very high	12 Å²	12	32.5 Å²	32.5	5%	0.047	19%	0.188	C	C	.	.	H	α-helix	trans	-60	-54.6	173.4	173.5	-86.1	0	0	0	109.5	D179 L180 E184 T185 L186 D281 H319 V352 F355 W359 F361	D179-Y182 VanDerWaalsContact O-CB 3.24Å; D179-Y182 WeakPolarHBondContact O-CB 3.42Å; D179-Y182 PolarHBondContact O-N 3.2Å; L180-Y182 VanDerWaalsContact C-N 3.28Å; L180-Y182 PolarHBondContact O-N 2.99Å; Y182-E184 PolarHBondContact O-N 2.85Å; Y182-T185 PolarHBondContact O-N 2.83Å; Y182-L186 HydrophobicContact CE1-CD2 4.05Å; Y182-L186 WeakPolarHBondContact O-CB 3.41Å; Y182-L186 PolarHBondContact O-N 3.33Å; Y182-D281 PolarHBondContact OH-OD1 2.87Å; Y182-H319 HydrophobicContact CE2-CB 4.39Å; Y182-H319 AromaticContact CZ-ND1 3.92Å; Y182-H319 PolarHBondContact OH-ND1 3.06Å; Y182-V352 HydrophobicContact CD2-CG1 4.32Å; Y182-V352 HydrophobicContact CD2-CG2 3.87Å; Y182-F355 AromaticContact CD2-CE2 3.84Å; Y182-F355 HydrophobicContact CD2-CE2 3.84Å; Y182-F355 HydrophobicContact CD2-CZ 4.38Å; Y182-F355 AromaticContact CE2-CE2 3.77Å; Y182-F355 HydrophobicContact CE2-CE2 3.77Å; Y182-F355 HydrophobicContact CE2-CZ 4.26Å; Y182-W359 HydrophobicContact CE2-CE3 4.33Å; Y182-F361 AromaticContact CD2-CE1 3.76Å; Y182-F361 HydrophobicContact CD2-CE1 3.76Å; Y182-F361 AromaticContact CD2-CZ 3.6Å; Y182-F361 HydrophobicContact CD2-CZ 3.6Å; Y182-F361 AromaticContact CE2-CE1 3.69Å; Y182-F361 HydrophobicContact CE2-CE1 3.69Å; Y182-F361 AromaticContact CE2-CZ 3.92Å; Y182-F361 HydrophobicContact CE2-CZ 3.92Å; Y182-F361 HydrophobicContact CG-CE1 4.29Å; Y182-F361 HydrophobicContact CG-CZ 4.22Å
183	T	98.2	Very high	97.8	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-45.2	-176.8	-49.3	0	0	0	0	111.6	L180 T185 L186 M187 A208 L209 E212	L180-T183 PolarHBondContact O-N 3.07Å; T183-T185 VanDerWaalsContact C-N 3.28Å; T183-T185 PolarHBondContact O-N 2.57Å; T183-L186 PolarHBondContact O-N 3.07Å; T183-M187 VanDerWaalsContact O-CG 3.25Å; T183-M187 WeakPolarHBondContact O-CG 3.3Å; T183-M187 PolarHBondContact O-N 3.11Å; T183-A208 HydrophobicContact CG2-CB 4.35Å; T183-L209 HydrophobicContact CG2-CB 4.14Å; T183-L209 HydrophobicContact CG2-CD1 4.12Å; T183-E212 HydrophobicContact CG2-CB 3.95Å; T183-E212 HydrophobicContact CG2-CG 3.75Å
184	E	98.3	Very high	97.9	Very high	39 Å²	39	32.4 Å²	32.4	18%	0.182	19%	0.188	C	C	.	.	H	α-helix	trans	-64	-34	178.8	-68.6	-168.1	148.8	0	0	112.3	L180 Y182 C188 R189	L180-E184 HydrophobicContact CD1-CG 3.91Å; L180-E184 HydrophobicContact CG-CG 3.93Å; L180-E184 WeakPolarHBondContact O-CG 3.39Å; L180-E184 PolarHBondContact O-N 3.25Å; Y182-E184 PolarHBondContact O-N 2.85Å; E184-C188 PolarHBondContact O-N 2.88Å; E184-R189 HydrophobicContact CB-CB 4.06Å; E184-R189 VanDerWaalsContact CD-CD 3.5Å; E184-R189 HydrophobicContact CG-CB 4.46Å; E184-R189 WeakPolarHBondContact O-CB 2.99Å; E184-R189 PolarHBondContact O-N 3.36Å; E184-R189 WeakPolarHBondContact OE1-CD 3.06Å; E184-R189 IonicContact OE1-NE 3.6Å
185	T	98.3	Very high	98	Very high	15 Å²	15	35.2 Å²	35.2	9%	0.092	20%	0.199	C	C	.	.	H	α-helix	trans	-75.3	-45.8	177.3	-54.5	0	0	0	0	111.5	I181 Y182 T183 M187 C188 T348 A350 F361	I181-T185 WeakPolarHBondContact O-CB 3.49Å; I181-T185 PolarHBondContact O-N 3.39Å; I181-T185 PolarHBondContact O-OG1 3.49Å; Y182-T185 PolarHBondContact O-N 2.83Å; T183-T185 VanDerWaalsContact C-N 3.28Å; T183-T185 PolarHBondContact O-N 2.57Å; T185-M187 VanDerWaalsContact C-N 3.29Å; T185-M187 PolarHBondContact O-N 3.28Å; T185-C188 PolarHBondContact O-N 3.46Å; T185-T348 HydrophobicContact CG2-CG2 3.76Å; T185-A350 HydrophobicContact CG2-CB 3.89Å; T185-A350 VanDerWaalsContact OG1-CB 3.26Å; T185-A350 WeakPolarHBondContact OG1-CB 3.21Å; T185-F361 HydrophobicContact CG2-CB 4.47Å; T185-F361 HydrophobicContact CG2-CD2 3.4Å; T185-F361 VanDerWaalsContact CG2-CD2 3.4Å; T185-F361 HydrophobicContact CG2-CE2 3.7Å; T185-F361 HydrophobicContact CG2-CG 3.95Å; T185-F361 HydrophobicContact CG2-CZ 4.45Å
186	L	98.3	Very high	98	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-56	-45	175.6	175.7	59.5	0	0	0	111.2	Y182 T183 C188 L209 F279 D281 L317 T318 F361	Y182-L186 HydrophobicContact CE1-CD2 4.05Å; Y182-L186 WeakPolarHBondContact O-CB 3.41Å; Y182-L186 PolarHBondContact O-N 3.33Å; T183-L186 PolarHBondContact O-N 3.07Å; L186-C188 VanDerWaalsContact C-N 3.25Å; L186-C188 PolarHBondContact O-N 2.84Å; L186-L209 HydrophobicContact CD2-CD2 3.98Å; L186-F279 HydrophobicContact CD1-CD1 4.49Å; L186-F279 HydrophobicContact CG-CD1 4.26Å; L186-D281 HydrophobicContact CD2-CB 4.44Å; L186-L317 VanDerWaalsContact O-CD2 3.3Å; L186-L317 WeakPolarHBondContact O-CD2 3.26Å; L186-T318 VanDerWaalsContact CD1-C 3.48Å; L186-F361 HydrophobicContact CB-CD1 3.84Å; L186-F361 HydrophobicContact CB-CE1 3.93Å; L186-F361 HydrophobicContact CD1-CD1 4.05Å
187	M	98.1	Very high	98.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	2.5	177	79.5	-176.9	-73.1	0	0	114.3	T183 T185 R189 Y194 L209 E212 L213 E216 F279	T183-M187 VanDerWaalsContact O-CG 3.25Å; T183-M187 WeakPolarHBondContact O-CG 3.3Å; T183-M187 PolarHBondContact O-N 3.11Å; T185-M187 VanDerWaalsContact C-N 3.29Å; T185-M187 PolarHBondContact O-N 3.28Å; M187-R189 VanDerWaalsContact C-N 3.25Å; M187-R189 HydrophobicContact CG-CB 4.03Å; M187-R189 PolarHBondContact O-N 2.68Å; M187-R189 HydrophobicContact SD-CB 4.43Å; M187-R189 PolarHBondContact SD-NH2 2.98Å; M187-Y194 HydrophobicContact CB-CE2 4.4Å; M187-Y194 HydrophobicContact CE-CD2 4.02Å; M187-Y194 HydrophobicContact CE-CE2 3.79Å; M187-Y194 VanDerWaalsContact O-CE2 3.32Å; M187-Y194 WeakPolarHBondContact O-CE2 3.32Å; M187-Y194 PolarHBondContact O-OH 3.23Å; M187-L209 HydrophobicContact CB-CD1 3.84Å; M187-E212 HydrophobicContact SD-CB 3.78Å; M187-L213 HydrophobicContact CE-CD2 3.73Å; M187-L213 HydrophobicContact CE-CG 4.16Å; M187-E216 HydrophobicContact CE-CG 3.92Å; M187-F279 HydrophobicContact CB-CE1 4.26Å; M187-F279 HydrophobicContact CB-CZ 4.37Å
188	C	97.9	Very high	98.1	Very high	17 Å²	17	38.7 Å²	38.7	12%	0.115	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	49.3	-178.7	-70.1	0	0	0	0	111.8	E184 T185 L186 G190 V191 E192 L317	E184-C188 PolarHBondContact O-N 2.88Å; T185-C188 PolarHBondContact O-N 3.46Å; L186-C188 VanDerWaalsContact C-N 3.25Å; L186-C188 PolarHBondContact O-N 2.84Å; C188-G190 PolarHBondContact O-N 3.46Å; C188-V191 HydrophobicContact CB-CB 4.29Å; C188-V191 WeakPolarHBondContact O-CB 3.23Å; C188-V191 PolarHBondContact O-N 2.86Å; C188-E192 HydrophobicContact CB-CG 3.78Å; C188-E192 PolarHBondContact O-N 2.79Å; C188-E192 VanDerWaalsContact O-N 3.08Å; C188-L317 HydrophobicContact CB-CD2 4.33Å
189	R	97.5	Very high	98.1	Very high	47 Å²	47	36.7 Å²	36.7	18%	0.177	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	132.6	-174.8	178.5	166.8	-72	-84.7	-6.7	111.1	E184 M187 V191 E212 E216	E184-R189 HydrophobicContact CB-CB 4.06Å; E184-R189 VanDerWaalsContact CD-CD 3.5Å; E184-R189 HydrophobicContact CG-CB 4.46Å; E184-R189 WeakPolarHBondContact O-CB 2.99Å; E184-R189 PolarHBondContact O-N 3.36Å; E184-R189 WeakPolarHBondContact OE1-CD 3.06Å; E184-R189 IonicContact OE1-NE 3.6Å; M187-R189 VanDerWaalsContact C-N 3.25Å; M187-R189 HydrophobicContact CG-CB 4.03Å; M187-R189 PolarHBondContact O-N 2.68Å; M187-R189 HydrophobicContact SD-CB 4.43Å; M187-R189 PolarHBondContact SD-NH2 2.98Å; R189-V191 PolarHBondContact O-N 3.36Å; R189-E212 IonicContact CZ-OE2 3.16Å; R189-E212 PolarHBondContact NH2-O 3.44Å; R189-E212 IonicContact NH2-OE2 2.85Å; R189-E212 PolarHBondContact NH2-OE2 2.64Å; R189-E216 IonicContact CZ-OE1 3.94Å; R189-E216 IonicContact NH1-OE1 2.73Å; R189-E216 PolarHBondContact NH1-OE1 3.25Å; R189-E216 IonicContact NH2-OE1 2.65Å
190	G	96.3	Very high	98.1	Very high	72 Å²	72	36.7 Å²	36.7	74%	0.742	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.9	-5.7	-178.6	0	0	0	0	0	115	C188	C188-G190 PolarHBondContact O-N 3.46Å
191	V	96.9	Very high	98.1	Very high	52 Å²	52	33.1 Å²	33.1	32%	0.315	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-48.8	171.3	169.9	0	0	0	0	110.3	C188 R189 L456	C188-V191 HydrophobicContact CB-CB 4.29Å; C188-V191 WeakPolarHBondContact O-CB 3.23Å; C188-V191 PolarHBondContact O-N 2.86Å; R189-V191 PolarHBondContact O-N 3.36Å; V191-L456 HydrophobicContact CB-CD1 4.35Å; V191-L456 HydrophobicContact CG1-CD1 3.75Å; V191-L456 HydrophobicContact CG1-CD2 4.27Å; V191-L456 HydrophobicContact CG2-CD1 4.03Å; V191-L456 HydrophobicContact CG2-CG 4.37Å
192	E	97.5	Very high	98.2	Very high	18 Å²	18	30.7 Å²	30.7	8%	0.084	18%	0.181	C	C	.	.	S	Bend	trans	-86.4	146.6	177.6	-66.2	-56.9	127.9	0	0	111.9	C188 Y194 Y277 K315 Q363	C188-E192 HydrophobicContact CB-CG 3.78Å; C188-E192 PolarHBondContact O-N 2.79Å; C188-E192 VanDerWaalsContact O-N 3.08Å; E192-Y194 HydrophobicContact CB-CD2 4.41Å; E192-Y194 HydrophobicContact CB-CE1 4.22Å; E192-Y194 HydrophobicContact CB-CE2 3.65Å; E192-Y194 WeakPolarHBondContact CB-OH 3.39Å; E192-Y277 HydrophobicContact CB-CE1 4.49Å; E192-Y277 HydrophobicContact CG-CE1 4.29Å; E192-Y277 WeakPolarHBondContact OE2-CE1 3.41Å; E192-Y277 PolarHBondContact OE2-OH 3.2Å; E192-K315 IonicContact OE1-NZ 2.65Å; E192-K315 PolarHBondContact OE1-NZ 3.31Å; E192-K315 WeakPolarHBondContact OE2-CE 3.41Å; E192-K315 IonicContact OE2-NZ 3.61Å; E192-K315 PolarHBondContact OE2-NZ 3.09Å; E192-Q363 VanDerWaalsContact CD-OE1 3.27Å; E192-Q363 PolarHBondContact OE1-OE1 3.47Å
193	N	97.4	Very high	98.1	Very high	97 Å²	97	30.4 Å²	30.4	52%	0.519	18%	0.181	S	C	.	.			trans	-109.8	107.8	173.9	-177.7	7.4	0	0	0	110.3	E195	N193-E195 VanDerWaalsContact OD1-CB 3.31Å; N193-E195 WeakPolarHBondContact OD1-CB 3.45Å; N193-E195 PolarHBondContact OD1-N 3.19Å
194	Y	98.5	Very high	98	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	18%	0.182	C	C	.	.			trans	-90.6	-2.7	-179.1	-60.8	-71.1	0	0	0	114	M187 E192 G196 K197 I199 L213 E216 P218 Y277 F279	M187-Y194 HydrophobicContact CB-CE2 4.4Å; M187-Y194 HydrophobicContact CE-CD2 4.02Å; M187-Y194 HydrophobicContact CE-CE2 3.79Å; M187-Y194 VanDerWaalsContact O-CE2 3.32Å; M187-Y194 WeakPolarHBondContact O-CE2 3.32Å; M187-Y194 PolarHBondContact O-OH 3.23Å; E192-Y194 HydrophobicContact CB-CD2 4.41Å; E192-Y194 HydrophobicContact CB-CE1 4.22Å; E192-Y194 HydrophobicContact CB-CE2 3.65Å; E192-Y194 WeakPolarHBondContact CB-OH 3.39Å; Y194-G196 PolarHBondContact O-N 2.87Å; Y194-K197 VanDerWaalsContact O-CB 3.29Å; Y194-K197 WeakPolarHBondContact O-CB 3.27Å; Y194-K197 WeakPolarHBondContact O-CG 3.38Å; Y194-K197 PolarHBondContact O-N 2.98Å; Y194-K197 VanDerWaalsContact O-N 3.09Å; Y194-I199 HydrophobicContact CD1-CD1 3.54Å; Y194-I199 HydrophobicContact CE1-CD1 4.31Å; Y194-I199 HydrophobicContact CG-CD1 4.17Å; Y194-L213 HydrophobicContact CD1-CD2 3.81Å; Y194-L213 HydrophobicContact CD2-CD2 3.86Å; Y194-L213 HydrophobicContact CE1-CD2 3.88Å; Y194-L213 HydrophobicContact CE2-CD2 3.93Å; Y194-L213 HydrophobicContact CG-CD2 3.79Å; Y194-E216 HydrophobicContact CD2-CB 4.18Å; Y194-E216 HydrophobicContact CD2-CG 4.09Å; Y194-E216 HydrophobicContact CG-CB 4.42Å; Y194-P218 VanDerWaalsContact O-CA 3.28Å; Y194-P218 WeakPolarHBondContact O-CA 3.47Å; Y194-Y277 AromaticContact CD1-CD2 3.9Å; Y194-Y277 HydrophobicContact CD1-CD2 3.9Å; Y194-Y277 HydrophobicContact CD1-CE1 4.48Å; Y194-Y277 AromaticContact CD1-CE2 3.92Å; Y194-Y277 HydrophobicContact CD1-CE2 3.92Å; Y194-Y277 HydrophobicContact CD1-CG 4.22Å; Y194-Y277 AromaticContact CE1-CD1 3.75Å; Y194-Y277 HydrophobicContact CE1-CD1 3.75Å; Y194-Y277 AromaticContact CE1-CD2 3.95Å; Y194-Y277 HydrophobicContact CE1-CD2 3.95Å; Y194-Y277 AromaticContact CE1-CE1 3.79Å; Y194-Y277 HydrophobicContact CE1-CE1 3.79Å; Y194-Y277 HydrophobicContact CE1-CE2 4.03Å; Y194-Y277 AromaticContact CE1-CG 3.83Å; Y194-Y277 HydrophobicContact CE1-CG 3.83Å; Y194-Y277 AromaticContact CE1-CZ 3.94Å; Y194-F279 HydrophobicContact CE1-CE2 4.14Å; Y194-F279 AromaticContact CE1-CZ 3.84Å; Y194-F279 HydrophobicContact CE1-CZ 3.84Å; Y194-F279 AromaticContact CZ-CZ 3.89Å; Y194-F279 WeakPolarHBondContact OH-CZ 3.22Å
195	E	98.5	Very high	97.9	Very high	126 Å²	126	28.7 Å²	28.7	59%	0.589	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	124.4	-178.3	-174.5	172.3	-150.5	0	0	111.3	N193 K197 E216 N217	N193-E195 VanDerWaalsContact OD1-CB 3.31Å; N193-E195 WeakPolarHBondContact OD1-CB 3.45Å; N193-E195 PolarHBondContact OD1-N 3.19Å; E195-K197 PolarHBondContact O-N 3.16Å; E195-E216 WeakPolarHBondContact CA-O 3.21Å; E195-E216 PolarHBondContact N-O 2.77Å; E195-N217 WeakPolarHBondContact CA-O 3.49Å; E195-N217 HydrophobicContact CG-CB 4.43Å
196	G	98.4	Very high	97.9	Very high	45 Å²	45	28.5 Å²	28.5	46%	0.464	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	69	13.2	179.4	0	0	0	0	0	115.2	Y194 N217 K219	Y194-G196 PolarHBondContact O-N 2.87Å; G196-N217 PolarHBondContact N-O 3.23Å; G196-K219 WeakPolarHBondContact O-CB 3.24Å
197	K	98.7	Very high	97.9	Very high	57 Å²	57	28.4 Å²	28.4	25%	0.248	17%	0.173	C	C	.	.			trans	-89.8	149.3	-177.9	-59	-64.5	-173.1	171.4	0	113.3	Y194 E195 I199 K219 H220 D276 Y277	Y194-K197 VanDerWaalsContact O-CB 3.29Å; Y194-K197 WeakPolarHBondContact O-CB 3.27Å; Y194-K197 WeakPolarHBondContact O-CG 3.38Å; Y194-K197 PolarHBondContact O-N 2.98Å; Y194-K197 VanDerWaalsContact O-N 3.09Å; E195-K197 PolarHBondContact O-N 3.16Å; K197-I199 HydrophobicContact CB-CG1 4.28Å; K197-K219 WeakPolarHBondContact O-CB 3.36Å; K197-K219 PolarHBondContact O-N 2.95Å; K197-H220 PolarHBondContact O-N 2.93Å; K197-D276 HydrophobicContact CB-CB 4.07Å; K197-D276 HydrophobicContact CD-CB 3.81Å; K197-D276 HydrophobicContact CG-CB 4.41Å; K197-D276 IonicContact NZ-OD1 2.72Å; K197-Y277 HydrophobicContact CB-CD2 4.14Å; K197-Y277 HydrophobicContact CB-CE2 4.19Å; K197-Y277 HydrophobicContact CD-CE2 4.17Å; K197-Y277 HydrophobicContact CG-CD2 4.34Å; K197-Y277 HydrophobicContact CG-CE2 3.88Å
198	E	98.8	Very high	97.9	Very high	39 Å²	39	28.5 Å²	28.5	18%	0.182	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.3	169.8	-68	-177.1	85.2	0	0	109.8	K219 H220 F275 D276 Y277	E198-K219 HydrophobicContact CG-CB 4.39Å; E198-K219 HydrophobicContact CG-CD 3.81Å; E198-K219 HydrophobicContact CG-CG 4.18Å; E198-K219 IonicContact OE1-NZ 2.75Å; E198-K219 IonicContact OE2-NZ 2.72Å; E198-K219 PolarHBondContact OE2-NZ 3.46Å; E198-H220 CarbonylContact C-O 3.38Å; E198-H220 WeakPolarHBondContact CA-O 3.23Å; E198-F275 HydrophobicContact CB-CD1 4.3Å; E198-D276 PolarHBondContact N-OD2 3.27Å; E198-D276 PolarHBondContact O-N 2.94Å; E198-Y277 PolarHBondContact O-N 2.94Å
199	I	98.9	Very high	97.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.5	-168.5	-51.6	-178.9	0	0	0	109.5	Y194 K197 I201 L213 P218 H220 V221 V222 Y277 F279	Y194-I199 HydrophobicContact CD1-CD1 3.54Å; Y194-I199 HydrophobicContact CE1-CD1 4.31Å; Y194-I199 HydrophobicContact CG-CD1 4.17Å; K197-I199 HydrophobicContact CB-CG1 4.28Å; I199-I201 HydrophobicContact CG2-CG1 4.5Å; I199-L213 HydrophobicContact CD1-CD1 4.48Å; I199-L213 HydrophobicContact CD1-CD2 3.91Å; I199-L213 HydrophobicContact CG2-CD1 4.16Å; I199-P218 HydrophobicContact CD1-CB 4.01Å; I199-H220 PolarHBondContact N-O 3.21Å; I199-V221 HydrophobicContact CB-CB 4.48Å; I199-V221 HydrophobicContact CB-CG1 4.17Å; I199-V221 HydrophobicContact CB-CG2 4.18Å; I199-V221 HydrophobicContact CD1-CG2 4.3Å; I199-V221 HydrophobicContact CG2-CG1 4.24Å; I199-V221 CarbonylContact O-C 3.58Å; I199-V221 WeakPolarHBondContact O-CA 3.26Å; I199-V222 PolarHBondContact O-N 3.48Å; I199-Y277 CarbonylContact C-O 3.49Å; I199-Y277 WeakPolarHBondContact CA-O 3.35Å; I199-Y277 HydrophobicContact CG1-CD2 4.36Å; I199-F279 HydrophobicContact CG2-CD2 3.61Å; I199-F279 HydrophobicContact CG2-CE2 3.61Å
200	C	98.9	Very high	98	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131	169.5	-169.7	0	0	0	0	109.3	V222 F275 Y277 V278 F279	C200-V222 CarbonylContact C-O 3.59Å; C200-V222 VanDerWaalsContact CA-O 3.3Å; C200-V222 WeakPolarHBondContact CA-O 3.21Å; C200-F275 HydrophobicContact CB-CD1 3.82Å; C200-F275 HydrophobicContact CB-CD2 4.04Å; C200-F275 HydrophobicContact CB-CE1 3.83Å; C200-F275 HydrophobicContact CB-CE2 4.07Å; C200-F275 HydrophobicContact CB-CG 3.91Å; C200-F275 HydrophobicContact CB-CZ 3.95Å; C200-Y277 PolarHBondContact N-O 3.4Å; C200-V278 HydrophobicContact CB-CG2 4.2Å; C200-V278 CarbonylContact O-C 3.47Å; C200-V278 VanDerWaalsContact O-CA 3.26Å; C200-V278 WeakPolarHBondContact O-CA 3.46Å; C200-F279 PolarHBondContact O-N 3Å
201	I	98.8	Very high	98.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.7	171.6	-55.4	169.4	0	0	0	107.1	I199 L209 L210 L213 V221 V222 M223 L224 F279	I199-I201 HydrophobicContact CG2-CG1 4.5Å; I201-L209 HydrophobicContact CD1-CD2 4.21Å; I201-L209 HydrophobicContact CD1-CG 4.09Å; I201-L209 HydrophobicContact CG1-CD2 4.21Å; I201-L209 HydrophobicContact CG2-CD2 4.01Å; I201-L210 HydrophobicContact CD1-CB 3.99Å; I201-L213 HydrophobicContact CD1-CD1 3.84Å; I201-L213 HydrophobicContact CG1-CD1 4.27Å; I201-V221 HydrophobicContact CD1-CG1 3.72Å; I201-V221 HydrophobicContact CG1-CG1 4.06Å; I201-V222 PolarHBondContact N-O 2.79Å; I201-M223 HydrophobicContact CB-CB 4.25Å; I201-M223 HydrophobicContact CB-CG 4.08Å; I201-M223 HydrophobicContact CG2-CG 4.18Å; I201-L224 PolarHBondContact O-N 3.35Å; I201-F279 HydrophobicContact CG1-CB 4.34Å; I201-F279 HydrophobicContact CG1-CD2 4.36Å; I201-F279 HydrophobicContact CG2-CB 4.41Å
202	L	98.6	Very high	98.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	115.5	174	-45.3	177.7	0	0	0	107	L224 C261 L265 V278 F279 D281 L282 I302 S306	L202-L224 HydrophobicContact CD2-CD1 3.83Å; L202-C261 HydrophobicContact CB-CB 4.29Å; L202-C261 HydrophobicContact CD2-CB 4.22Å; L202-L265 HydrophobicContact CD1-CD1 3.89Å; L202-L265 HydrophobicContact CD2-CD1 4.01Å; L202-L265 HydrophobicContact CD2-CD2 4.18Å; L202-L265 HydrophobicContact CD2-CG 4.11Å; L202-V278 HydrophobicContact CD1-CG1 3.88Å; L202-V278 HydrophobicContact CD2-CG1 4.49Å; L202-V278 HydrophobicContact CG-CG1 4.03Å; L202-F279 WeakPolarHBondContact CB-O 3.31Å; L202-F279 WeakPolarHBondContact CG-O 3.13Å; L202-F279 PolarHBondContact N-O 2.83Å; L202-D281 CarbonylContact O-C 3.53Å; L202-D281 PolarHBondContact O-N 2.81Å; L202-L282 HydrophobicContact CB-CD1 3.97Å; L202-L282 HydrophobicContact CB-CD2 4.23Å; L202-L282 HydrophobicContact CB-CG 4.18Å; L202-L282 WeakPolarHBondContact O-CD2 3.24Å; L202-L282 WeakPolarHBondContact O-CG 3.39Å; L202-I302 HydrophobicContact CD1-CD1 4.31Å; L202-I302 HydrophobicContact CD1-CG2 3.8Å; L202-S306 WeakPolarHBondContact CD1-OG 3.27Å
203	G	97.3	Very high	98.3	Very high	5 Å²	5	23.1 Å²	23.1	5%	0.052	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82	-137.8	-167.5	0	0	0	0	0	112	M223 L224 D281	G203-M223 WeakPolarHBondContact O-CG 3.48Å; G203-L224 VanDerWaalsContact CA-O 3.31Å; G203-L224 WeakPolarHBondContact CA-O 3.48Å; G203-L224 PolarHBondContact N-O 2.91Å; G203-D281 WeakPolarHBondContact CA-O 3.38Å
204	G	95.2	Very high	98.3	Very high	4 Å²	4	19.9 Å²	19.9	4%	0.041	11%	0.107	C	C	.	.			trans	74.4	34.3	-179	0	0	0	0	0	114.1	D206 G207 M223 D281	G204-D206 PolarHBondContact O-N 2.54Å; G204-D206 VanDerWaalsContact O-N 3.14Å; G204-G207 WeakPolarHBondContact O-CA 3.45Å; G204-G207 PolarHBondContact O-N 3.27Å; G204-M223 VanDerWaalsContact O-CE 3.29Å; G204-M223 WeakPolarHBondContact O-CE 3.32Å; G204-M223 VanDerWaalsContact O-SD 3.38Å; G204-D281 PolarHBondContact N-O 2.79Å
205	G	97	Very high	98.3	Very high	5 Å²	5	24.2 Å²	24.2	5%	0.052	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.4	-179.4	0	0	0	0	0	115.5	G207 E225 M231	G205-G207 VanDerWaalsContact C-N 3.32Å; G205-E225 VanDerWaalsContact CA-OE2 3.25Å; G205-E225 WeakPolarHBondContact CA-OE2 3.38Å; G205-E225 PolarHBondContact N-OE2 2.91Å; G205-M231 WeakPolarHBondContact O-CA 3.47Å; G205-M231 WeakPolarHBondContact O-CG 3.36Å
206	D	98.2	Very high	98.3	Very high	11 Å²	11	20.9 Å²	20.9	6%	0.059	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-22	170	67.9	-76.6	0	0	0	113.3	L167 I175 G204 A208 C242 L246	L167-D206 HydrophobicContact CD2-CB 4.34Å; I175-D206 HydrophobicContact CG2-CB 3.71Å; G204-D206 PolarHBondContact O-N 2.54Å; G204-D206 VanDerWaalsContact O-N 3.14Å; D206-A208 VanDerWaalsContact C-N 3.29Å; D206-A208 PolarHBondContact O-N 3.2Å; D206-A208 WeakPolarHBondContact OD2-CA 3.27Å; D206-A208 WeakPolarHBondContact OD2-CB 3.21Å; D206-A208 PolarHBondContact OD2-N 2.83Å; D206-C242 WeakPolarHBondContact O-CB 3.45Å; D206-L246 WeakPolarHBondContact O-CD1 3.39Å
207	G	98.3	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.			trans	75.8	1.5	175.2	0	0	0	0	0	116	G204 G205 Y211	G204-G207 WeakPolarHBondContact O-CA 3.45Å; G204-G207 PolarHBondContact O-N 3.27Å; G205-G207 VanDerWaalsContact C-N 3.32Å; G207-Y211 WeakPolarHBondContact O-CB 3.45Å; G207-Y211 PolarHBondContact O-N 3.23Å
208	A	98.5	Very high	98.3	Very high	2 Å²	2	20.5 Å²	20.5	2%	0.017	10%	0.1	C	C	.	.	H	α-helix	trans	-65.3	-45.7	-178.6	0	0	0	0	0	111.6	I175 T183 D206 L210 Y211 E212 I241	I175-A208 HydrophobicContact CD1-CB 4.04Å; T183-A208 HydrophobicContact CG2-CB 4.35Å; D206-A208 VanDerWaalsContact C-N 3.29Å; D206-A208 PolarHBondContact O-N 3.2Å; D206-A208 WeakPolarHBondContact OD2-CA 3.27Å; D206-A208 WeakPolarHBondContact OD2-CB 3.21Å; D206-A208 PolarHBondContact OD2-N 2.83Å; A208-L210 PolarHBondContact O-N 2.9Å; A208-Y211 PolarHBondContact O-N 2.89Å; A208-E212 WeakPolarHBondContact O-CB 3.17Å; A208-E212 WeakPolarHBondContact O-CG 3.29Å; A208-E212 PolarHBondContact O-N 3.18Å; A208-I241 WeakPolarHBondContact CA-O 3.47Å; A208-I241 HydrophobicContact CB-CB 4.14Å; A208-I241 HydrophobicContact CB-CD1 4.11Å; A208-I241 HydrophobicContact CB-CG1 4.22Å
209	L	98.7	Very high	98.2	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-60.3	-46	178.4	-179.3	60.5	0	0	0	112	T183 L186 M187 I201 Y211 E212 L213 F279	T183-L209 HydrophobicContact CG2-CB 4.14Å; T183-L209 HydrophobicContact CG2-CD1 4.12Å; L186-L209 HydrophobicContact CD2-CD2 3.98Å; M187-L209 HydrophobicContact CB-CD1 3.84Å; I201-L209 HydrophobicContact CD1-CD2 4.21Å; I201-L209 HydrophobicContact CD1-CG 4.09Å; I201-L209 HydrophobicContact CG1-CD2 4.21Å; I201-L209 HydrophobicContact CG2-CD2 4.01Å; L209-Y211 PolarHBondContact O-N 2.81Å; L209-E212 PolarHBondContact O-N 3.27Å; L209-L213 HydrophobicContact CD1-CD1 3.89Å; L209-L213 HydrophobicContact CD1-CG 4.09Å; L209-L213 HydrophobicContact CG-CD1 3.81Å; L209-L213 HydrophobicContact CG-CG 4.45Å; L209-L213 WeakPolarHBondContact O-CB 3.18Å; L209-L213 VanDerWaalsContact O-CG 3.3Å; L209-L213 WeakPolarHBondContact O-CG 3.29Å; L209-L213 PolarHBondContact O-N 2.96Å; L209-F279 HydrophobicContact CD1-CD1 4.44Å; L209-F279 HydrophobicContact CD1-CE1 4.43Å; L209-F279 HydrophobicContact CD2-CB 3.73Å; L209-F279 HydrophobicContact CD2-CD1 3.85Å; L209-F279 HydrophobicContact CD2-CD2 4.4Å; L209-F279 HydrophobicContact CD2-CG 3.74Å
210	L	98.8	Very high	98.2	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-59	-48.2	175.2	173.5	59.4	0	0	0	111.1	I201 A208 E212 L213 L214 V221 M223 V245 Y254 I256	I201-L210 HydrophobicContact CD1-CB 3.99Å; A208-L210 PolarHBondContact O-N 2.9Å; L210-E212 VanDerWaalsContact C-N 3.34Å; L210-E212 PolarHBondContact O-N 3.35Å; L210-L213 PolarHBondContact O-N 3.04Å; L210-L214 HydrophobicContact CD1-CD1 4.09Å; L210-L214 HydrophobicContact CD1-CG 4.1Å; L210-L214 HydrophobicContact CG-CD1 4.28Å; L210-L214 VanDerWaalsContact O-CG 3.29Å; L210-L214 WeakPolarHBondContact O-CG 3.48Å; L210-L214 PolarHBondContact O-N 3.12Å; L210-V221 HydrophobicContact CD1-CB 3.86Å; L210-V221 HydrophobicContact CD1-CG1 3.66Å; L210-V221 HydrophobicContact CD1-CG2 4.48Å; L210-M223 HydrophobicContact CB-SD 3.98Å; L210-M223 HydrophobicContact CD2-CB 4.41Å; L210-M223 HydrophobicContact CD2-SD 3.77Å; L210-V245 HydrophobicContact CB-CG2 4.45Å; L210-V245 HydrophobicContact CD2-CB 3.94Å; L210-V245 HydrophobicContact CD2-CG2 3.81Å; L210-V245 HydrophobicContact CG-CB 4.25Å; L210-V245 HydrophobicContact CG-CG2 4.09Å; L210-Y254 HydrophobicContact CD1-CD2 4.08Å; L210-Y254 HydrophobicContact CD1-CG 4.09Å; L210-Y254 HydrophobicContact CD2-CD2 3.71Å; L210-Y254 HydrophobicContact CD2-CE2 4Å; L210-Y254 HydrophobicContact CG-CD2 4.36Å; L210-I256 HydrophobicContact CD2-CD1 3.81Å; L210-I256 HydrophobicContact CD2-CG1 3.74Å
211	Y	98.7	Very high	98.2	Very high	76 Å²	76	26.1 Å²	26.1	30%	0.298	12%	0.124	S	C	.	.	H	α-helix	trans	-62.6	-39.4	-179.5	-179.5	-120.1	0	0	0	113	G207 A208 L209 K215 I241 V245	G207-Y211 WeakPolarHBondContact O-CB 3.45Å; G207-Y211 PolarHBondContact O-N 3.23Å; A208-Y211 PolarHBondContact O-N 2.89Å; L209-Y211 PolarHBondContact O-N 2.81Å; Y211-K215 WeakPolarHBondContact O-CE 3.49Å; Y211-I241 WeakPolarHBondContact CD1-O 3.34Å; Y211-V245 HydrophobicContact CD2-CG1 3.94Å
212	E	98.7	Very high	98.2	Very high	14 Å²	14	26.1 Å²	26.1	7%	0.065	12%	0.124	C	C	.	.	H	α-helix	trans	-72.1	-39.2	177.2	-73.1	-49.8	139.5	0	0	112.9	L180 T183 M187 R189 A208 L209 L210 K215	L180-E212 HydrophobicContact CD1-CG 3.9Å; L180-E212 WeakPolarHBondContact CD1-OE1 3.12Å; T183-E212 HydrophobicContact CG2-CB 3.95Å; T183-E212 HydrophobicContact CG2-CG 3.75Å; M187-E212 HydrophobicContact SD-CB 3.78Å; R189-E212 IonicContact CZ-OE2 3.16Å; R189-E212 PolarHBondContact NH2-O 3.44Å; R189-E212 IonicContact NH2-OE2 2.85Å; R189-E212 PolarHBondContact NH2-OE2 2.64Å; A208-E212 WeakPolarHBondContact O-CB 3.17Å; A208-E212 WeakPolarHBondContact O-CG 3.29Å; A208-E212 PolarHBondContact O-N 3.18Å; L209-E212 PolarHBondContact O-N 3.27Å; L210-E212 VanDerWaalsContact C-N 3.34Å; L210-E212 PolarHBondContact O-N 3.35Å; E212-K215 WeakPolarHBondContact O-CB 3.31Å; E212-K215 PolarHBondContact O-N 2.75Å; E212-K215 IonicContact OE1-NZ 3.77Å; E212-K215 PolarHBondContact OE1-NZ 2.81Å; E212-K215 WeakPolarHBondContact OE2-CD 3.01Å; E212-K215 WeakPolarHBondContact OE2-CE 3.46Å; E212-K215 IonicContact OE2-NZ 3.64Å; E212-K215 PolarHBondContact OE2-NZ 3.42Å
213	L	98.7	Very high	98.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.3	-38.6	176	-79.4	167.2	0	0	0	112.4	M187 Y194 I199 I201 L209 L210 K215 E216 P218 F279	M187-L213 HydrophobicContact CE-CD2 3.73Å; M187-L213 HydrophobicContact CE-CG 4.16Å; Y194-L213 HydrophobicContact CD1-CD2 3.81Å; Y194-L213 HydrophobicContact CD2-CD2 3.86Å; Y194-L213 HydrophobicContact CE1-CD2 3.88Å; Y194-L213 HydrophobicContact CE2-CD2 3.93Å; Y194-L213 HydrophobicContact CG-CD2 3.79Å; I199-L213 HydrophobicContact CD1-CD1 4.48Å; I199-L213 HydrophobicContact CD1-CD2 3.91Å; I199-L213 HydrophobicContact CG2-CD1 4.16Å; I201-L213 HydrophobicContact CD1-CD1 3.84Å; I201-L213 HydrophobicContact CG1-CD1 4.27Å; L209-L213 HydrophobicContact CD1-CD1 3.89Å; L209-L213 HydrophobicContact CD1-CG 4.09Å; L209-L213 HydrophobicContact CG-CD1 3.81Å; L209-L213 HydrophobicContact CG-CG 4.45Å; L209-L213 WeakPolarHBondContact O-CB 3.18Å; L209-L213 VanDerWaalsContact O-CG 3.3Å; L209-L213 WeakPolarHBondContact O-CG 3.29Å; L209-L213 PolarHBondContact O-N 2.96Å; L210-L213 PolarHBondContact O-N 3.04Å; L213-K215 PolarHBondContact O-N 3.25Å; L213-K215 VanDerWaalsContact O-N 3.12Å; L213-E216 WeakPolarHBondContact O-CB 3.45Å; L213-E216 PolarHBondContact O-N 2.77Å; L213-P218 VanDerWaalsContact O-CD 3.28Å; L213-P218 WeakPolarHBondContact O-CD 3.48Å; L213-F279 HydrophobicContact CD1-CD2 4.19Å; L213-F279 HydrophobicContact CD1-CE2 3.88Å; L213-F279 HydrophobicContact CD1-CZ 4.44Å; L213-F279 HydrophobicContact CD2-CE2 4.17Å; L213-F279 HydrophobicContact CD2-CZ 4.24Å
214	L	98.6	Very high	98.3	Very high	29 Å²	29	26 Å²	26	15%	0.152	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-62	-21	179.2	-74.6	176.5	0	0	0	113.7	L210 E216 P218 V221 V245 Q253 Y254	L210-L214 HydrophobicContact CD1-CD1 4.09Å; L210-L214 HydrophobicContact CD1-CG 4.1Å; L210-L214 HydrophobicContact CG-CD1 4.28Å; L210-L214 VanDerWaalsContact O-CG 3.29Å; L210-L214 WeakPolarHBondContact O-CG 3.48Å; L210-L214 PolarHBondContact O-N 3.12Å; L214-E216 PolarHBondContact O-N 3.1Å; L214-P218 HydrophobicContact CD2-CG 4.12Å; L214-V221 HydrophobicContact CD2-CG2 4.37Å; L214-V245 HydrophobicContact CD1-CG1 3.73Å; L214-Q253 HydrophobicContact CD2-CB 3.97Å; L214-Y254 HydrophobicContact CD1-CD1 3.49Å; L214-Y254 VanDerWaalsContact CD1-CD1 3.49Å; L214-Y254 HydrophobicContact CD1-CE1 3.74Å; L214-Y254 HydrophobicContact CD1-CG 4.01Å; L214-Y254 HydrophobicContact CD2-CD1 3.93Å; L214-Y254 HydrophobicContact CD2-CG 4.31Å; L214-Y254 HydrophobicContact CG-CD1 4.34Å
215	K	98.2	Very high	98.4	Very high	93 Å²	93	26.7 Å²	26.7	40%	0.404	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-74.2	-14.6	175	-59	172.3	-164.3	170.4	0	113	Y211 E212 L213	Y211-K215 WeakPolarHBondContact O-CE 3.49Å; E212-K215 WeakPolarHBondContact O-CB 3.31Å; E212-K215 PolarHBondContact O-N 2.75Å; E212-K215 IonicContact OE1-NZ 3.77Å; E212-K215 PolarHBondContact OE1-NZ 2.81Å; E212-K215 WeakPolarHBondContact OE2-CD 3.01Å; E212-K215 WeakPolarHBondContact OE2-CE 3.46Å; E212-K215 IonicContact OE2-NZ 3.64Å; E212-K215 PolarHBondContact OE2-NZ 3.42Å; L213-K215 PolarHBondContact O-N 3.25Å; L213-K215 VanDerWaalsContact O-N 3.12Å
216	E	98.2	Very high	98.5	Very high	55 Å²	55	29.4 Å²	29.4	26%	0.257	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-97	14.3	-179.1	-55.9	-60.2	138.7	0	0	112.8	M187 R189 Y194 E195 L213 L214	M187-E216 HydrophobicContact CE-CG 3.92Å; R189-E216 IonicContact CZ-OE1 3.94Å; R189-E216 IonicContact NH1-OE1 2.73Å; R189-E216 PolarHBondContact NH1-OE1 3.25Å; R189-E216 IonicContact NH2-OE1 2.65Å; Y194-E216 HydrophobicContact CD2-CB 4.18Å; Y194-E216 HydrophobicContact CD2-CG 4.09Å; Y194-E216 HydrophobicContact CG-CB 4.42Å; E195-E216 WeakPolarHBondContact CA-O 3.21Å; E195-E216 PolarHBondContact N-O 2.77Å; L213-E216 WeakPolarHBondContact O-CB 3.45Å; L213-E216 PolarHBondContact O-N 2.77Å; L214-E216 PolarHBondContact O-N 3.1Å
217	N	98	Very high	98.4	Very high	92 Å²	92	29 Å²	29	49%	0.492	14%	0.135	S	C	.	.			trans	52.3	51	177.9	-56.4	-47	0	0	0	115.3	E195 G196	E195-N217 WeakPolarHBondContact CA-O 3.49Å; E195-N217 HydrophobicContact CG-CB 4.43Å; G196-N217 PolarHBondContact N-O 3.23Å
218	P	98.6	Very high	98.4	Very high	2 Å²	2	32 Å²	32	1%	0.013	15%	0.149	C	C	.	.			trans	-62.8	156.6	174.6	30.1	-35.5	0	0	0	111.2	Y194 I199 L213 L214 V221 Q253	Y194-P218 VanDerWaalsContact O-CA 3.28Å; Y194-P218 WeakPolarHBondContact O-CA 3.47Å; I199-P218 HydrophobicContact CD1-CB 4.01Å; L213-P218 VanDerWaalsContact O-CD 3.28Å; L213-P218 WeakPolarHBondContact O-CD 3.48Å; L214-P218 HydrophobicContact CD2-CG 4.12Å; P218-V221 HydrophobicContact CB-CG2 3.85Å; P218-V221 HydrophobicContact CG-CG2 3.53Å; P218-Q253 PolarHBondContact O-NE2 2.8Å
219	K	98.5	Very high	98.4	Very high	121 Å²	121	34 Å²	34	53%	0.526	16%	0.159	S	C	.	.	S	Bend	trans	-67.1	-48.9	171.4	169.4	179	168.4	-159.7	0	109.8	G196 K197 E198	G196-K219 WeakPolarHBondContact O-CB 3.24Å; K197-K219 WeakPolarHBondContact O-CB 3.36Å; K197-K219 PolarHBondContact O-N 2.95Å; E198-K219 HydrophobicContact CG-CB 4.39Å; E198-K219 HydrophobicContact CG-CD 3.81Å; E198-K219 HydrophobicContact CG-CG 4.18Å; E198-K219 IonicContact OE1-NZ 2.75Å; E198-K219 IonicContact OE2-NZ 2.72Å; E198-K219 PolarHBondContact OE2-NZ 3.46Å
220	H	98.7	Very high	98.4	Very high	37 Å²	37	34 Å²	34	17%	0.171	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	138	176.7	-165.8	73.1	0	0	0	111.8	K197 E198 I199 Q253 E255	K197-H220 PolarHBondContact O-N 2.93Å; E198-H220 CarbonylContact C-O 3.38Å; E198-H220 WeakPolarHBondContact CA-O 3.23Å; I199-H220 PolarHBondContact N-O 3.21Å; H220-Q253 CarbonylContact C-O 3.57Å; H220-Q253 VanDerWaalsContact CA-O 3.23Å; H220-Q253 WeakPolarHBondContact CA-O 3.43Å; H220-E255 IonicContact NE2-OE1 2.71Å
221	V	98.9	Very high	98.4	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.8	173.5	-170.3	0	0	0	0	109.7	I199 I201 L210 L214 P218 Q253 Y254 E255	I199-V221 HydrophobicContact CB-CB 4.48Å; I199-V221 HydrophobicContact CB-CG1 4.17Å; I199-V221 HydrophobicContact CB-CG2 4.18Å; I199-V221 HydrophobicContact CD1-CG2 4.3Å; I199-V221 HydrophobicContact CG2-CG1 4.24Å; I199-V221 CarbonylContact O-C 3.58Å; I199-V221 WeakPolarHBondContact O-CA 3.26Å; I201-V221 HydrophobicContact CD1-CG1 3.72Å; I201-V221 HydrophobicContact CG1-CG1 4.06Å; L210-V221 HydrophobicContact CD1-CB 3.86Å; L210-V221 HydrophobicContact CD1-CG1 3.66Å; L210-V221 HydrophobicContact CD1-CG2 4.48Å; L214-V221 HydrophobicContact CD2-CG2 4.37Å; P218-V221 HydrophobicContact CB-CG2 3.85Å; P218-V221 HydrophobicContact CG-CG2 3.53Å; V221-Q253 PolarHBondContact N-O 3.1Å; V221-Y254 CarbonylContact O-C 3.56Å; V221-Y254 WeakPolarHBondContact O-CA 3.5Å; V221-Y254 VanDerWaalsContact O-CB 3.24Å; V221-Y254 WeakPolarHBondContact O-CB 3.29Å; V221-E255 PolarHBondContact O-N 2.85Å
222	V	98.8	Very high	98.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.9	167.6	179.9	0	0	0	0	108.4	I199 C200 I201 L224 E255 I257 F268 F275	I199-V222 PolarHBondContact O-N 3.48Å; C200-V222 CarbonylContact C-O 3.59Å; C200-V222 VanDerWaalsContact CA-O 3.3Å; C200-V222 WeakPolarHBondContact CA-O 3.21Å; I201-V222 PolarHBondContact N-O 2.79Å; V222-L224 HydrophobicContact CG1-CD2 3.8Å; V222-L224 HydrophobicContact CG1-CG 4.38Å; V222-E255 WeakPolarHBondContact CA-O 3.31Å; V222-E255 HydrophobicContact CG2-CG 4.17Å; V222-I257 HydrophobicContact CG1-CD1 3.66Å; V222-I257 HydrophobicContact CG1-CG1 4.17Å; V222-F268 HydrophobicContact CG1-CZ 4.24Å; V222-F275 HydrophobicContact CG2-CE1 4.42Å
223	M	98.8	Very high	98.3	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.7	172.9	-175.4	-176.9	112.5	0	0	109.4	I201 G203 G204 L210 E225 M231 L246 E255 I256 I257	I201-M223 HydrophobicContact CB-CB 4.25Å; I201-M223 HydrophobicContact CB-CG 4.08Å; I201-M223 HydrophobicContact CG2-CG 4.18Å; G203-M223 WeakPolarHBondContact O-CG 3.48Å; G204-M223 VanDerWaalsContact O-CE 3.29Å; G204-M223 WeakPolarHBondContact O-CE 3.32Å; G204-M223 VanDerWaalsContact O-SD 3.38Å; L210-M223 HydrophobicContact CB-SD 3.98Å; L210-M223 HydrophobicContact CD2-CB 4.41Å; L210-M223 HydrophobicContact CD2-SD 3.77Å; M223-E225 HydrophobicContact CE-CB 4.07Å; M223-M231 HydrophobicContact CE-SD 3.67Å; M223-L246 HydrophobicContact CE-CD2 3.97Å; M223-E255 PolarHBondContact N-O 3.43Å; M223-I256 HydrophobicContact CB-CG1 4.21Å; M223-I256 HydrophobicContact CE-CD1 3.86Å; M223-I256 HydrophobicContact CE-CG1 4.02Å; M223-I256 HydrophobicContact CE-CG2 3.77Å; M223-I256 WeakPolarHBondContact O-CA 3.4Å; M223-I256 HydrophobicContact SD-CD1 4.34Å; M223-I256 HydrophobicContact SD-CG1 4.22Å; M223-I257 PolarHBondContact O-N 3Å
224	L	98.6	Very high	98.3	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	108	-179.4	-55.4	178.7	0	0	0	108.9	I201 L202 G203 V222 I257 C261 Y264 F268	I201-L224 PolarHBondContact O-N 3.35Å; L202-L224 HydrophobicContact CD2-CD1 3.83Å; G203-L224 VanDerWaalsContact CA-O 3.31Å; G203-L224 WeakPolarHBondContact CA-O 3.48Å; G203-L224 PolarHBondContact N-O 2.91Å; V222-L224 HydrophobicContact CG1-CD2 3.8Å; V222-L224 HydrophobicContact CG1-CG 4.38Å; L224-I257 HydrophobicContact CD2-CB 3.84Å; L224-I257 HydrophobicContact CD2-CD1 4.09Å; L224-I257 HydrophobicContact CD2-CG1 4.37Å; L224-I257 HydrophobicContact CD2-CG2 4.38Å; L224-C261 HydrophobicContact CB-CB 4.06Å; L224-C261 HydrophobicContact CD1-CB 4.11Å; L224-Y264 HydrophobicContact CD1-CG 4.42Å; L224-Y264 HydrophobicContact CD2-CD1 4.29Å; L224-Y264 HydrophobicContact CD2-CD2 4.24Å; L224-Y264 HydrophobicContact CD2-CG 3.89Å; L224-F268 HydrophobicContact CD1-CE2 4.14Å; L224-F268 HydrophobicContact CD2-CE2 4.49Å; L224-F268 HydrophobicContact CD2-CZ 4.47Å
225	E	97.9	Very high	98.3	Very high	19 Å²	19	35.1 Å²	35.1	9%	0.089	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.8	179.3	175.3	51.5	-113.7	0	0	109.5	G205 M223 D227 M231 I257 V258 G259	G205-E225 VanDerWaalsContact CA-OE2 3.25Å; G205-E225 WeakPolarHBondContact CA-OE2 3.38Å; G205-E225 PolarHBondContact N-OE2 2.91Å; M223-E225 HydrophobicContact CE-CB 4.07Å; E225-D227 PolarHBondContact OE1-N 2.92Å; E225-M231 HydrophobicContact CB-CE 4.14Å; E225-M231 HydrophobicContact CB-CG 4.39Å; E225-M231 HydrophobicContact CB-SD 3.72Å; E225-M231 HydrophobicContact CG-CE 4.02Å; E225-M231 HydrophobicContact CG-CG 3.72Å; E225-M231 HydrophobicContact CG-SD 3.69Å; E225-I257 PolarHBondContact N-O 3.42Å; E225-V258 CarbonylContact O-C 3.56Å; E225-V258 WeakPolarHBondContact O-CA 3.43Å; E225-G259 PolarHBondContact O-N 3.35Å
226	I	97.5	Very high	98.3	Very high	62 Å²	62	37.3 Å²	37.3	32%	0.318	18%	0.178	S	C	.	.	S	Bend	trans	-86.7	-30.4	-176.8	-158.6	173.6	0	0	0	112	F152 D260	F152-I226 HydrophobicContact CD1-CD1 4.14Å; F152-I226 HydrophobicContact CD1-CG1 4.41Å; F152-I226 HydrophobicContact CD1-CG2 4.34Å; F152-I226 HydrophobicContact CE1-CD1 3.5Å; F152-I226 VanDerWaalsContact CE1-CD1 3.5Å; F152-I226 HydrophobicContact CE1-CG1 3.69Å; F152-I226 HydrophobicContact CE1-CG2 4.43Å; F152-I226 HydrophobicContact CE2-CG1 4.29Å; F152-I226 WeakPolarHBondContact CE2-O 3.36Å; F152-I226 HydrophobicContact CG-CG2 4.41Å; F152-I226 HydrophobicContact CZ-CD1 3.97Å; F152-I226 HydrophobicContact CZ-CG1 3.62Å; I226-D260 HydrophobicContact CD1-CB 4.28Å
227	D	97.8	Very high	98.3	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.011	17%	0.174	C	C	.	.			trans	-102	94	-171.4	-161.9	-26.1	0	0	0	112.6	S150 F152 Q153 E225 L229 V230 M231	S150-D227 WeakPolarHBondContact CB-OD1 3.43Å; S150-D227 VanDerWaalsContact CB-OD2 3.27Å; S150-D227 WeakPolarHBondContact CB-OD2 3.38Å; S150-D227 PolarHBondContact OG-OD2 3.22Å; F152-D227 HydrophobicContact CD2-CB 3.92Å; Q153-D227 PolarHBondContact NE2-OD2 3.22Å; E225-D227 PolarHBondContact OE1-N 2.92Å; D227-L229 PolarHBondContact O-N 3.11Å; D227-L229 WeakPolarHBondContact OD1-CB 3.45Å; D227-L229 PolarHBondContact OD1-N 3.02Å; D227-V230 HydrophobicContact CB-CB 4.09Å; D227-V230 HydrophobicContact CB-CG2 3.75Å; D227-V230 PolarHBondContact O-N 3.43Å; D227-V230 PolarHBondContact OD1-N 3.05Å; D227-M231 PolarHBondContact O-N 3.01Å
228	E	97.7	Very high	98.4	Very high	62 Å²	62	32.4 Å²	32.4	29%	0.29	15%	0.15	S	C	.	.	H	α-helix	trans	-56.4	-32.8	175.3	176.7	62.3	-154.7	0	0	112.6	M231 Q232 R249 V258	E228-M231 PolarHBondContact O-N 3.5Å; E228-M231 WeakPolarHBondContact OE2-CE 3.32Å; E228-Q232 HydrophobicContact CG-CG 4.47Å; E228-Q232 VanDerWaalsContact O-CG 3.32Å; E228-Q232 WeakPolarHBondContact O-CG 3.21Å; E228-Q232 PolarHBondContact O-N 2.89Å; E228-Q232 PolarHBondContact OE1-NE2 2.75Å; E228-R249 IonicContact OE1-CZ 3.71Å; E228-R249 IonicContact OE1-NE 3.98Å; E228-R249 IonicContact OE1-NH2 2.82Å; E228-R249 PolarHBondContact OE1-NH2 2.78Å; E228-R249 IonicContact OE2-CZ 3.89Å; E228-R249 IonicContact OE2-NE 3.68Å; E228-R249 IonicContact OE2-NH2 2.74Å; E228-R249 PolarHBondContact OE2-NH2 3.04Å; E228-V258 HydrophobicContact CB-CG1 4.43Å; E228-V258 VanDerWaalsContact OE2-CG2 3.31Å; E228-V258 WeakPolarHBondContact OE2-CG2 3.37Å
229	L	98.2	Very high	98.3	Very high	44 Å²	44	36.4 Å²	36.4	23%	0.23	17%	0.172	C	C	.	.	H	α-helix	trans	-73.3	-33.9	-178.6	-176.3	58.1	0	0	0	111.7	F146 A148 I155 D227 M231 Q232 T233	F146-L229 HydrophobicContact CZ-CD1 4.43Å; A148-L229 HydrophobicContact CB-CD2 3.93Å; I155-L229 HydrophobicContact CD1-CB 3.8Å; I155-L229 HydrophobicContact CD1-CD2 3.87Å; I155-L229 HydrophobicContact CD1-CG 3.65Å; D227-L229 PolarHBondContact O-N 3.11Å; D227-L229 WeakPolarHBondContact OD1-CB 3.45Å; D227-L229 PolarHBondContact OD1-N 3.02Å; L229-M231 VanDerWaalsContact C-N 3.33Å; L229-Q232 PolarHBondContact O-N 3.18Å; L229-T233 VanDerWaalsContact O-CB 3.27Å; L229-T233 WeakPolarHBondContact O-CB 3.39Å; L229-T233 PolarHBondContact O-N 2.65Å; L229-T233 PolarHBondContact O-OG1 3.01Å
230	V	98.4	Very high	98.2	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.018	17%	0.174	C	C	.	.	H	α-helix	trans	-57.8	-51.4	170.7	171.2	0	0	0	0	109	I155 L167 L169 D227 Q232 T233 C234	I155-V230 HydrophobicContact CD1-CB 4.46Å; I155-V230 HydrophobicContact CD1-CG2 3.57Å; I155-V230 HydrophobicContact CG1-CG2 3.83Å; L167-V230 HydrophobicContact CD2-CG1 4.24Å; L169-V230 HydrophobicContact CD2-CG2 3.79Å; D227-V230 HydrophobicContact CB-CB 4.09Å; D227-V230 HydrophobicContact CB-CG2 3.75Å; D227-V230 PolarHBondContact O-N 3.43Å; D227-V230 PolarHBondContact OD1-N 3.05Å; V230-Q232 PolarHBondContact O-N 3.07Å; V230-T233 WeakPolarHBondContact O-CB 3.31Å; V230-T233 PolarHBondContact O-N 2.49Å; V230-T233 VanDerWaalsContact O-N 3.11Å; V230-C234 PolarHBondContact O-N 2.88Å; V230-C234 PolarHBondContact O-SG 3.38Å
231	M	98.2	Very high	98.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.5	-39.4	-176.8	-61.2	-171.1	-73	0	0	113.3	G205 M223 E225 D227 E228 L229 T233 N235 L246 R249 I256 V258	G205-M231 WeakPolarHBondContact O-CA 3.47Å; G205-M231 WeakPolarHBondContact O-CG 3.36Å; M223-M231 HydrophobicContact CE-SD 3.67Å; E225-M231 HydrophobicContact CB-CE 4.14Å; E225-M231 HydrophobicContact CB-CG 4.39Å; E225-M231 HydrophobicContact CB-SD 3.72Å; E225-M231 HydrophobicContact CG-CE 4.02Å; E225-M231 HydrophobicContact CG-CG 3.72Å; E225-M231 HydrophobicContact CG-SD 3.69Å; D227-M231 PolarHBondContact O-N 3.01Å; E228-M231 PolarHBondContact O-N 3.5Å; E228-M231 WeakPolarHBondContact OE2-CE 3.32Å; L229-M231 VanDerWaalsContact C-N 3.33Å; M231-T233 VanDerWaalsContact C-N 3.28Å; M231-T233 PolarHBondContact O-N 2.85Å; M231-N235 WeakPolarHBondContact O-CB 3.18Å; M231-N235 PolarHBondContact O-N 3.31Å; M231-L246 HydrophobicContact CB-CD1 4.4Å; M231-L246 HydrophobicContact CB-CD2 4.27Å; M231-L246 HydrophobicContact CG-CD2 4.24Å; M231-L246 WeakPolarHBondContact O-CD1 3.41Å; M231-L246 HydrophobicContact SD-CD2 4.31Å; M231-R249 VanDerWaalsContact CE-NH1 3.28Å; M231-R249 PolarHBondContact SD-NH1 3.14Å; M231-I256 HydrophobicContact CE-CG2 4.12Å; M231-I256 HydrophobicContact SD-CG2 3.61Å; M231-V258 HydrophobicContact CE-CG2 3.78Å
232	Q	98.3	Very high	98.1	Very high	99 Å²	99	34.1 Å²	34.1	46%	0.463	17%	0.169	S	C	.	.	H	α-helix	trans	-62.8	-38.7	174.7	-73	175.3	6.9	0	0	111.7	E228 L229 V230 K236	E228-Q232 HydrophobicContact CG-CG 4.47Å; E228-Q232 VanDerWaalsContact O-CG 3.32Å; E228-Q232 WeakPolarHBondContact O-CG 3.21Å; E228-Q232 PolarHBondContact O-N 2.89Å; E228-Q232 PolarHBondContact OE1-NE2 2.75Å; L229-Q232 PolarHBondContact O-N 3.18Å; V230-Q232 PolarHBondContact O-N 3.07Å; Q232-K236 WeakPolarHBondContact O-CB 3.3Å; Q232-K236 PolarHBondContact O-N 3.2Å
233	T	98.5	Very high	98	Very high	4 Å²	4	35 Å²	35	3%	0.025	18%	0.179	C	C	.	.	H	α-helix	trans	-68	-49.2	178.5	-57.3	0	0	0	0	110.8	F146 I155 I157 L229 V230 M231 N235 K236 Y237	F146-T233 HydrophobicContact CD1-CG2 3.41Å; F146-T233 VanDerWaalsContact CD1-CG2 3.41Å; F146-T233 HydrophobicContact CE1-CG2 3.66Å; F146-T233 VanDerWaalsContact CE1-OG1 3.31Å; F146-T233 WeakPolarHBondContact CE1-OG1 3.37Å; F146-T233 HydrophobicContact CG-CG2 4.15Å; I155-T233 HydrophobicContact CG2-CG2 4.07Å; I157-T233 HydrophobicContact CD1-CG2 3.78Å; I157-T233 HydrophobicContact CG1-CG2 3.41Å; I157-T233 VanDerWaalsContact CG1-CG2 3.41Å; L229-T233 VanDerWaalsContact O-CB 3.27Å; L229-T233 WeakPolarHBondContact O-CB 3.39Å; L229-T233 PolarHBondContact O-N 2.65Å; L229-T233 PolarHBondContact O-OG1 3.01Å; V230-T233 WeakPolarHBondContact O-CB 3.31Å; V230-T233 PolarHBondContact O-N 2.49Å; V230-T233 VanDerWaalsContact O-N 3.11Å; M231-T233 VanDerWaalsContact C-N 3.28Å; M231-T233 PolarHBondContact O-N 2.85Å; T233-N235 PolarHBondContact O-N 3.32Å; T233-K236 PolarHBondContact O-N 2.89Å; T233-K236 VanDerWaalsContact O-N 3.1Å; T233-Y237 HydrophobicContact CG2-CD2 3.84Å; T233-Y237 HydrophobicContact CG2-CE2 4.34Å; T233-Y237 VanDerWaalsContact O-CD2 3.32Å; T233-Y237 WeakPolarHBondContact O-CD2 3.32Å; T233-Y237 PolarHBondContact O-N 3.29Å
234	C	98.6	Very high	98	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.5	-41.2	178.1	-64.6	0	0	0	0	111.9	V230 K236 Y237 L238 N239 L246	V230-C234 PolarHBondContact O-N 2.88Å; V230-C234 PolarHBondContact O-SG 3.38Å; C234-K236 PolarHBondContact O-N 3.49Å; C234-Y237 PolarHBondContact O-N 2.86Å; C234-L238 HydrophobicContact CB-CB 4.35Å; C234-L238 HydrophobicContact CB-CD1 4.47Å; C234-L238 CarbonylContact O-C 3.57Å; C234-L238 WeakPolarHBondContact O-CA 3.39Å; C234-L238 WeakPolarHBondContact O-CB 3.21Å; C234-L238 PolarHBondContact O-N 3.13Å; C234-N239 PolarHBondContact O-N 3.45Å; C234-L246 HydrophobicContact CB-CD1 3.64Å
235	N	98.4	Very high	97.9	Very high	41 Å²	41	38.2 Å²	38.2	22%	0.219	20%	0.196	C	C	.	.	H	α-helix	trans	-56	-38.1	173.1	-176	53.9	0	0	0	112.5	M231 T233 N239 L246 E247	M231-N235 WeakPolarHBondContact O-CB 3.18Å; M231-N235 PolarHBondContact O-N 3.31Å; T233-N235 PolarHBondContact O-N 3.32Å; N235-N239 WeakPolarHBondContact O-CB 3.41Å; N235-L246 HydrophobicContact CB-CB 3.74Å; N235-L246 HydrophobicContact CB-CD1 4.39Å; N235-E247 WeakPolarHBondContact OD1-CB 3.39Å; N235-E247 PolarHBondContact OD1-N 2.86Å
236	K	98.5	Very high	98	Very high	138 Å²	138	37.4 Å²	37.4	60%	0.6	19%	0.192	S	C	*	.	H	α-helix	trans	-82.1	-39.9	-175.7	-175	174.3	176.6	-165.5	0	113.2	Q232 T233 C234	Q232-K236 WeakPolarHBondContact O-CB 3.3Å; Q232-K236 PolarHBondContact O-N 3.2Å; T233-K236 PolarHBondContact O-N 2.89Å; T233-K236 VanDerWaalsContact O-N 3.1Å; C234-K236 PolarHBondContact O-N 3.49Å
237	Y	98.5	Very high	98	Very high	44 Å²	44	41 Å²	41	17%	0.173	21%	0.208	C	C	.	.	H	α-helix	trans	-115.2	-13.1	-168.5	-58.8	-72.5	0	0	0	114.4	V145 F146 I157 N165 T233 C234	V145-Y237 HydrophobicContact CG1-CD1 3.54Å; V145-Y237 HydrophobicContact CG1-CE1 3.62Å; V145-Y237 HydrophobicContact CG1-CG 4.31Å; F146-Y237 HydrophobicContact CB-CD2 4.12Å; F146-Y237 HydrophobicContact CB-CE2 3.62Å; F146-Y237 AromaticContact CD2-CE2 3.82Å; F146-Y237 HydrophobicContact CD2-CE2 3.82Å; F146-Y237 HydrophobicContact CG-CD2 4.42Å; F146-Y237 AromaticContact CG-CE2 3.75Å; F146-Y237 HydrophobicContact CG-CE2 3.75Å; I157-Y237 HydrophobicContact CG1-CD2 3.93Å; I157-Y237 HydrophobicContact CG1-CG 4.14Å; I157-Y237 HydrophobicContact CG2-CG 4.48Å; N165-Y237 PolarHBondContact ND2-O 3.33Å; T233-Y237 HydrophobicContact CG2-CD2 3.84Å; T233-Y237 HydrophobicContact CG2-CE2 4.34Å; T233-Y237 VanDerWaalsContact O-CD2 3.32Å; T233-Y237 WeakPolarHBondContact O-CD2 3.32Å; T233-Y237 PolarHBondContact O-N 3.29Å; C234-Y237 PolarHBondContact O-N 2.86Å
238	L	98.2	Very high	98	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.231	C	C	.	.			trans	-125.4	28.1	179.5	-70.4	172.5	0	0	0	111.5	I157 N165 L167 I175 E177 C234 V240 I241 C242	I157-L238 HydrophobicContact CD1-CD1 4.03Å; I157-L238 HydrophobicContact CD1-CG 4.33Å; N165-L238 HydrophobicContact CB-CD2 3.79Å; N165-L238 WeakPolarHBondContact O-CD2 3.05Å; L167-L238 HydrophobicContact CB-CD1 3.75Å; I175-L238 HydrophobicContact CG2-CD1 4.33Å; E177-L238 HydrophobicContact CG-CD2 3.83Å; C234-L238 HydrophobicContact CB-CB 4.35Å; C234-L238 HydrophobicContact CB-CD1 4.47Å; C234-L238 CarbonylContact O-C 3.57Å; C234-L238 WeakPolarHBondContact O-CA 3.39Å; C234-L238 WeakPolarHBondContact O-CB 3.21Å; C234-L238 PolarHBondContact O-N 3.13Å; L238-V240 PolarHBondContact O-N 2.72Å; L238-I241 HydrophobicContact CB-CD1 4.15Å; L238-I241 HydrophobicContact CB-CG1 3.96Å; L238-I241 HydrophobicContact CD1-CD1 4.35Å; L238-I241 HydrophobicContact CD2-CD1 4.35Å; L238-I241 WeakPolarHBondContact O-CG1 3.13Å; L238-I241 PolarHBondContact O-N 2.7Å; L238-C242 PolarHBondContact O-N 3.33Å; L238-C242 PolarHBondContact O-SG 2.73Å
239	N	96.4	Very high	98	Very high	87 Å²	87	45.9 Å²	45.9	47%	0.465	23%	0.227	S	C	.	.	H	α-helix	trans	-59.8	-20.1	177.4	73.8	-31.5	0	0	0	113.4	C234 N235 I241 G243	C234-N239 PolarHBondContact O-N 3.45Å; N235-N239 WeakPolarHBondContact O-CB 3.41Å; N239-I241 VanDerWaalsContact C-N 3.26Å; N239-I241 PolarHBondContact O-N 2.53Å; N239-G243 VanDerWaalsContact O-CA 3.31Å; N239-G243 WeakPolarHBondContact O-CA 3.23Å; N239-G243 PolarHBondContact O-N 2.86Å
240	V	97.4	Very high	98	Very high	94 Å²	94	50.1 Å²	50.1	57%	0.57	24%	0.243	S	C	*	.	H	α-helix	trans	-62	-35.2	174.8	178.1	0	0	0	0	111.4	E177 L238	E177-V240 HydrophobicContact CG-CB 4.5Å; L238-V240 PolarHBondContact O-N 2.72Å
241	I	98	Very high	97.9	Very high	15 Å²	15	51.3 Å²	51.3	8%	0.077	26%	0.256	C	S	.	.	H	α-helix	trans	-98.2	-26	-178.8	67.3	172.1	0	0	0	113.3	I175 A208 Y211 L238 N239	I175-I241 HydrophobicContact CD1-CD1 3.92Å; I175-I241 HydrophobicContact CG1-CD1 4.09Å; I175-I241 HydrophobicContact CG2-CD1 3.9Å; A208-I241 WeakPolarHBondContact CA-O 3.47Å; A208-I241 HydrophobicContact CB-CB 4.14Å; A208-I241 HydrophobicContact CB-CD1 4.11Å; A208-I241 HydrophobicContact CB-CG1 4.22Å; Y211-I241 WeakPolarHBondContact CD1-O 3.34Å; L238-I241 HydrophobicContact CB-CD1 4.15Å; L238-I241 HydrophobicContact CB-CG1 3.96Å; L238-I241 HydrophobicContact CD1-CD1 4.35Å; L238-I241 HydrophobicContact CD2-CD1 4.35Å; L238-I241 WeakPolarHBondContact O-CG1 3.13Å; L238-I241 PolarHBondContact O-N 2.7Å; N239-I241 VanDerWaalsContact C-N 3.26Å; N239-I241 PolarHBondContact O-N 2.53Å
242	C	97.8	Very high	97.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-108.1	-6	-178.5	66	0	0	0	0	115.3	D206 L238 D244 V245 L246	D206-C242 WeakPolarHBondContact O-CB 3.45Å; L238-C242 PolarHBondContact O-N 3.33Å; L238-C242 PolarHBondContact O-SG 2.73Å; C242-D244 PolarHBondContact O-N 3.24Å; C242-V245 HydrophobicContact CB-CG2 4.46Å; C242-V245 VanDerWaalsContact O-CG2 3.27Å; C242-V245 WeakPolarHBondContact O-CG2 3.28Å; C242-V245 PolarHBondContact O-N 2.71Å; C242-L246 HydrophobicContact CB-CD1 4.06Å; C242-L246 HydrophobicContact CB-CG 4.17Å
243	G	96.8	Very high	97.8	Very high	20 Å²	20	58.1 Å²	58.1	21%	0.206	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	-123.7	-179	0	0	0	0	0	112.2	N239	N239-G243 VanDerWaalsContact O-CA 3.31Å; N239-G243 WeakPolarHBondContact O-CA 3.23Å; N239-G243 PolarHBondContact O-N 2.86Å
244	D	97.4	Very high	97.8	Very high	67 Å²	67	58.6 Å²	58.6	36%	0.358	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	11.6	179	65.5	20.3	0	0	0	113.6	C242 L246 E247 K248	C242-D244 PolarHBondContact O-N 3.24Å; D244-L246 PolarHBondContact O-N 2.78Å; D244-E247 PolarHBondContact O-N 3.4Å; D244-K248 VanDerWaalsContact CG-CE 3.45Å; D244-K248 WeakPolarHBondContact O-CB 3.35Å; D244-K248 WeakPolarHBondContact O-CG 3.24Å; D244-K248 PolarHBondContact O-N 2.75Å; D244-K248 IonicContact OD1-NZ 3.58Å; D244-K248 PolarHBondContact OD1-NZ 2.84Å; D244-K248 WeakPolarHBondContact OD2-CE 3.41Å; D244-K248 IonicContact OD2-NZ 3.97Å; D244-K248 PolarHBondContact OD2-NZ 3.14Å
245	V	98.4	Very high	97.8	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.012	30%	0.304	C	S	.	.	H	α-helix	trans	-68.6	-36.8	-173.5	-53.3	0	0	0	0	112.2	L210 Y211 L214 C242 R249 Y254 I256	L210-V245 HydrophobicContact CB-CG2 4.45Å; L210-V245 HydrophobicContact CD2-CB 3.94Å; L210-V245 HydrophobicContact CD2-CG2 3.81Å; L210-V245 HydrophobicContact CG-CB 4.25Å; L210-V245 HydrophobicContact CG-CG2 4.09Å; Y211-V245 HydrophobicContact CD2-CG1 3.94Å; L214-V245 HydrophobicContact CD1-CG1 3.73Å; C242-V245 HydrophobicContact CB-CG2 4.46Å; C242-V245 VanDerWaalsContact O-CG2 3.27Å; C242-V245 WeakPolarHBondContact O-CG2 3.28Å; C242-V245 PolarHBondContact O-N 2.71Å; V245-R249 PolarHBondContact O-N 3.04Å; V245-Y254 WeakPolarHBondContact CA-OH 3.49Å; V245-Y254 HydrophobicContact CB-CE2 4.13Å; V245-Y254 PolarHBondContact O-OH 2.96Å; V245-I256 WeakPolarHBondContact O-CD1 3.33Å
246	L	98.3	Very high	97.8	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-74.2	-33.9	178.5	-62.2	-173.6	0	0	0	111.9	D206 M223 M231 C234 N235 C242 D244 R249 I256	D206-L246 WeakPolarHBondContact O-CD1 3.39Å; M223-L246 HydrophobicContact CE-CD2 3.97Å; M231-L246 HydrophobicContact CB-CD1 4.4Å; M231-L246 HydrophobicContact CB-CD2 4.27Å; M231-L246 HydrophobicContact CG-CD2 4.24Å; M231-L246 WeakPolarHBondContact O-CD1 3.41Å; M231-L246 HydrophobicContact SD-CD2 4.31Å; C234-L246 HydrophobicContact CB-CD1 3.64Å; N235-L246 HydrophobicContact CB-CB 3.74Å; N235-L246 HydrophobicContact CB-CD1 4.39Å; C242-L246 HydrophobicContact CB-CD1 4.06Å; C242-L246 HydrophobicContact CB-CG 4.17Å; D244-L246 PolarHBondContact O-N 2.78Å; L246-R249 WeakPolarHBondContact O-CD 3.34Å; L246-R249 PolarHBondContact O-NE 3.31Å; L246-R249 PolarHBondContact O-NH1 3.29Å; L246-I256 HydrophobicContact CD2-CD1 3.7Å
247	E	97.6	Very high	97.8	Very high	138 Å²	138	54.3 Å²	54.3	65%	0.645	28%	0.276	S	S	*	.	H	α-helix	trans	-66.4	-49.8	173	-176.5	175.5	-159.3	0	0	111.5	N235 D244	N235-E247 WeakPolarHBondContact OD1-CB 3.39Å; N235-E247 PolarHBondContact OD1-N 2.86Å; D244-E247 PolarHBondContact O-N 3.4Å
248	K	97.8	Very high	97.8	Very high	115 Å²	115	55.7 Å²	55.7	50%	0.5	29%	0.289	S	S	.	.	H	α-helix	trans	-71.6	-30.9	-174.2	-75.6	174	179.3	162.9	0	113.2	D244 K250 Y254	D244-K248 VanDerWaalsContact CG-CE 3.45Å; D244-K248 WeakPolarHBondContact O-CB 3.35Å; D244-K248 WeakPolarHBondContact O-CG 3.24Å; D244-K248 PolarHBondContact O-N 2.75Å; D244-K248 IonicContact OD1-NZ 3.58Å; D244-K248 PolarHBondContact OD1-NZ 2.84Å; D244-K248 WeakPolarHBondContact OD2-CE 3.41Å; D244-K248 IonicContact OD2-NZ 3.97Å; D244-K248 PolarHBondContact OD2-NZ 3.14Å; K248-K250 PolarHBondContact O-N 2.84Å; K248-Y254 WeakPolarHBondContact CB-OH 3.42Å
249	R	97.8	Very high	97.7	Very high	51 Å²	51	56.5 Å²	56.5	19%	0.192	30%	0.297	C	S	.	.			trans	62.7	-31	-175.8	-55.4	-63.8	-172.5	-169.1	2.7	115.6	E228 M231 V245 L246 I256	E228-R249 IonicContact OE1-CZ 3.71Å; E228-R249 IonicContact OE1-NE 3.98Å; E228-R249 IonicContact OE1-NH2 2.82Å; E228-R249 PolarHBondContact OE1-NH2 2.78Å; E228-R249 IonicContact OE2-CZ 3.89Å; E228-R249 IonicContact OE2-NE 3.68Å; E228-R249 IonicContact OE2-NH2 2.74Å; E228-R249 PolarHBondContact OE2-NH2 3.04Å; M231-R249 VanDerWaalsContact CE-NH1 3.28Å; M231-R249 PolarHBondContact SD-NH1 3.14Å; V245-R249 PolarHBondContact O-N 3.04Å; L246-R249 WeakPolarHBondContact O-CD 3.34Å; L246-R249 PolarHBondContact O-NE 3.31Å; L246-R249 PolarHBondContact O-NH1 3.29Å; R249-I256 PolarHBondContact O-N 3.39Å
250	K	98.4	Very high	97.7	Very high	134 Å²	134	55.4 Å²	55.4	58%	0.583	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.7	137.8	-176.8	-174.8	164.4	-176.4	138.3	0	110.6	K248 E255	K248-K250 PolarHBondContact O-N 2.84Å; K250-E255 HydrophobicContact CD-CB 4.32Å; K250-E255 HydrophobicContact CG-CB 4.14Å; K250-E255 IonicContact NZ-OE2 2.7Å; K250-E255 PolarHBondContact NZ-OE2 3.3Å
251	G	97	Very high	97.7	Very high	27 Å²	27	51.5 Å²	51.5	28%	0.278	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	-172.2	170.9	0	0	0	0	0	110.8	Q253 Y254	G251-Q253 VanDerWaalsContact C-N 3.26Å; G251-Q253 PolarHBondContact O-N 3.48Å; G251-Y254 PolarHBondContact N-O 3.23Å
252	D	96.7	Very high	97.7	Very high	167 Å²	167	51.6 Å²	51.6	89%	0.893	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-32.5	-177.8	-62.6	-25	0	0	0	112.4
253	Q	97.6	Very high	97.7	Very high	75 Å²	75	56.5 Å²	56.5	35%	0.35	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	2.6	-175.7	-65.2	176.5	-81.4	0	0	113.7	L214 P218 H220 V221 G251	L214-Q253 HydrophobicContact CD2-CB 3.97Å; P218-Q253 PolarHBondContact O-NE2 2.8Å; H220-Q253 CarbonylContact C-O 3.57Å; H220-Q253 VanDerWaalsContact CA-O 3.23Å; H220-Q253 WeakPolarHBondContact CA-O 3.43Å; V221-Q253 PolarHBondContact N-O 3.1Å; G251-Q253 VanDerWaalsContact C-N 3.26Å; G251-Q253 PolarHBondContact O-N 3.48Å
254	Y	98.7	Very high	97.7	Very high	14 Å²	14	58.3 Å²	58.3	6%	0.055	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	160.8	178.5	74.4	-77	0	0	0	114.3	L210 L214 V221 V245 K248 G251 I256	L210-Y254 HydrophobicContact CD1-CD2 4.08Å; L210-Y254 HydrophobicContact CD1-CG 4.09Å; L210-Y254 HydrophobicContact CD2-CD2 3.71Å; L210-Y254 HydrophobicContact CD2-CE2 4Å; L210-Y254 HydrophobicContact CG-CD2 4.36Å; L214-Y254 HydrophobicContact CD1-CD1 3.49Å; L214-Y254 VanDerWaalsContact CD1-CD1 3.49Å; L214-Y254 HydrophobicContact CD1-CE1 3.74Å; L214-Y254 HydrophobicContact CD1-CG 4.01Å; L214-Y254 HydrophobicContact CD2-CD1 3.93Å; L214-Y254 HydrophobicContact CD2-CG 4.31Å; L214-Y254 HydrophobicContact CG-CD1 4.34Å; V221-Y254 CarbonylContact O-C 3.56Å; V221-Y254 WeakPolarHBondContact O-CA 3.5Å; V221-Y254 VanDerWaalsContact O-CB 3.24Å; V221-Y254 WeakPolarHBondContact O-CB 3.29Å; V245-Y254 WeakPolarHBondContact CA-OH 3.49Å; V245-Y254 HydrophobicContact CB-CE2 4.13Å; V245-Y254 PolarHBondContact O-OH 2.96Å; K248-Y254 WeakPolarHBondContact CB-OH 3.42Å; G251-Y254 PolarHBondContact N-O 3.23Å; Y254-I256 HydrophobicContact CD2-CG1 4.37Å; Y254-I256 HydrophobicContact CE2-CG1 4.36Å
255	E	98.6	Very high	97.8	Very high	43 Å²	43	55.1 Å²	55.1	20%	0.201	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	141.5	164.2	65.7	-171.7	175.2	0	0	111.3	H220 V221 V222 M223 K250 I257	H220-E255 IonicContact NE2-OE1 2.71Å; V221-E255 PolarHBondContact O-N 2.85Å; V222-E255 WeakPolarHBondContact CA-O 3.31Å; V222-E255 HydrophobicContact CG2-CG 4.17Å; M223-E255 PolarHBondContact N-O 3.43Å; K250-E255 HydrophobicContact CD-CB 4.32Å; K250-E255 HydrophobicContact CG-CB 4.14Å; K250-E255 IonicContact NZ-OE2 2.7Å; K250-E255 PolarHBondContact NZ-OE2 3.3Å; E255-I257 HydrophobicContact CG-CD1 4.4Å; E255-I257 HydrophobicContact CG-CG1 4.21Å
256	I	98.8	Very high	97.8	Very high	19 Å²	19	59.5 Å²	59.5	10%	0.097	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.5	169.2	-58.4	174.8	0	0	0	107.3	L210 M223 M231 V245 L246 R249 Y254	L210-I256 HydrophobicContact CD2-CD1 3.81Å; L210-I256 HydrophobicContact CD2-CG1 3.74Å; M223-I256 HydrophobicContact CB-CG1 4.21Å; M223-I256 HydrophobicContact CE-CD1 3.86Å; M223-I256 HydrophobicContact CE-CG1 4.02Å; M223-I256 HydrophobicContact CE-CG2 3.77Å; M223-I256 WeakPolarHBondContact O-CA 3.4Å; M223-I256 HydrophobicContact SD-CD1 4.34Å; M223-I256 HydrophobicContact SD-CG1 4.22Å; M231-I256 HydrophobicContact CE-CG2 4.12Å; M231-I256 HydrophobicContact SD-CG2 3.61Å; V245-I256 WeakPolarHBondContact O-CD1 3.33Å; L246-I256 HydrophobicContact CD2-CD1 3.7Å; R249-I256 PolarHBondContact O-N 3.39Å; Y254-I256 HydrophobicContact CD2-CG1 4.37Å; Y254-I256 HydrophobicContact CE2-CG1 4.36Å
257	I	98.3	Very high	97.8	Very high	28 Å²	28	64.3 Å²	64.3	14%	0.144	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.9	178.7	-55.6	177.9	0	0	0	108	V222 M223 L224 E225 E255 G259 Y264	V222-I257 HydrophobicContact CG1-CD1 3.66Å; V222-I257 HydrophobicContact CG1-CG1 4.17Å; M223-I257 PolarHBondContact O-N 3Å; L224-I257 HydrophobicContact CD2-CB 3.84Å; L224-I257 HydrophobicContact CD2-CD1 4.09Å; L224-I257 HydrophobicContact CD2-CG1 4.37Å; L224-I257 HydrophobicContact CD2-CG2 4.38Å; E225-I257 PolarHBondContact N-O 3.42Å; E255-I257 HydrophobicContact CG-CD1 4.4Å; E255-I257 HydrophobicContact CG-CG1 4.21Å; I257-G259 PolarHBondContact O-N 2.99Å; I257-Y264 HydrophobicContact CD1-CD1 4.5Å; I257-Y264 HydrophobicContact CD1-CE1 4.27Å; I257-Y264 HydrophobicContact CG2-CD1 4.27Å; I257-Y264 HydrophobicContact CG2-CD2 4.29Å; I257-Y264 HydrophobicContact CG2-CE1 3.54Å; I257-Y264 HydrophobicContact CG2-CE2 3.57Å; I257-Y264 WeakPolarHBondContact CG2-OH 3.27Å
258	V	97.9	Very high	97.8	Very high	73 Å²	73	58 Å²	58	44%	0.442	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	115.1	175.8	-174.7	0	0	0	0	109.3	E225 E228 M231	E225-V258 CarbonylContact O-C 3.56Å; E225-V258 WeakPolarHBondContact O-CA 3.43Å; E228-V258 HydrophobicContact CB-CG1 4.43Å; E228-V258 VanDerWaalsContact OE2-CG2 3.31Å; E228-V258 WeakPolarHBondContact OE2-CG2 3.37Å; M231-V258 HydrophobicContact CE-CG2 3.78Å
259	G	96.3	Very high	97.9	Very high	16 Å²	16	55.1 Å²	55.1	17%	0.165	28%	0.276	C	S	.	.	S	Bend	trans	158.2	177.4	172.7	0	0	0	0	0	114.7	E225 I257 C261	E225-G259 PolarHBondContact O-N 3.35Å; I257-G259 PolarHBondContact O-N 2.99Å; G259-C261 PolarHBondContact O-N 2.74Å
260	D	96.5	Very high	97.9	Very high	65 Å²	65	57 Å²	57	35%	0.348	30%	0.303	S	S	.	.			trans	-66	123.8	-177	-175.4	-58.9	0	0	0	111.6	I226 V262 E263 Y264	I226-D260 HydrophobicContact CD1-CB 4.28Å; D260-V262 VanDerWaalsContact C-N 3.31Å; D260-V262 PolarHBondContact O-N 2.97Å; D260-V262 WeakPolarHBondContact OD1-CA 3.36Å; D260-V262 WeakPolarHBondContact OD1-CB 3.28Å; D260-V262 PolarHBondContact OD1-N 3.31Å; D260-E263 HydrophobicContact CB-CB 4.23Å; D260-E263 HydrophobicContact CB-CG 4.1Å; D260-E263 PolarHBondContact O-N 2.7Å; D260-E263 PolarHBondContact OD1-N 3.25Å; D260-E263 VanDerWaalsContact OD1-N 3.15Å; D260-Y264 WeakPolarHBondContact O-CD2 3.46Å; D260-Y264 PolarHBondContact O-N 2.53Å; D260-Y264 VanDerWaalsContact O-N 3.12Å
261	C	96.6	Very high	97.9	Very high	12 Å²	12	56.2 Å²	56.2	8%	0.081	30%	0.301	C	S	.	.	H	α-helix	trans	-66.5	-30.3	-176.3	63.3	0	0	0	0	113.1	L202 L224 G259 L265	L202-C261 HydrophobicContact CB-CB 4.29Å; L202-C261 HydrophobicContact CD2-CB 4.22Å; L224-C261 HydrophobicContact CB-CB 4.06Å; L224-C261 HydrophobicContact CD1-CB 4.11Å; G259-C261 PolarHBondContact O-N 2.74Å; C261-L265 VanDerWaalsContact O-CB 3.28Å; C261-L265 WeakPolarHBondContact O-CB 3.48Å; C261-L265 WeakPolarHBondContact O-CD1 3.46Å; C261-L265 WeakPolarHBondContact O-CG 3.36Å; C261-L265 PolarHBondContact O-N 2.97Å
262	V	97.3	Very high	97.9	Very high	16 Å²	16	57.4 Å²	57.4	10%	0.097	31%	0.313	C	S	.	.	H	α-helix	trans	-67.2	-43.8	175.6	177.3	0	0	0	0	110.3	D260 L265 K266 F298 T301 I302	D260-V262 VanDerWaalsContact C-N 3.31Å; D260-V262 PolarHBondContact O-N 2.97Å; D260-V262 WeakPolarHBondContact OD1-CA 3.36Å; D260-V262 WeakPolarHBondContact OD1-CB 3.28Å; D260-V262 PolarHBondContact OD1-N 3.31Å; V262-L265 PolarHBondContact O-N 2.82Å; V262-K266 WeakPolarHBondContact O-CG 3.15Å; V262-K266 PolarHBondContact O-N 3.2Å; V262-F298 HydrophobicContact CG2-CD2 4.21Å; V262-F298 HydrophobicContact CG2-CE2 3.78Å; V262-T301 HydrophobicContact CG1-CG2 3.73Å; V262-T301 HydrophobicContact CG2-CG2 4.12Å; V262-I302 HydrophobicContact CG2-CD1 3.92Å
263	E	97.9	Very high	98	Very high	103 Å²	103	52.1 Å²	52.1	48%	0.481	28%	0.281	S	S	.	.	H	α-helix	trans	-64.7	-41.9	177.9	-68.2	-57.6	116.3	0	0	112	D260 K266 K267	D260-E263 HydrophobicContact CB-CB 4.23Å; D260-E263 HydrophobicContact CB-CG 4.1Å; D260-E263 PolarHBondContact O-N 2.7Å; D260-E263 PolarHBondContact OD1-N 3.25Å; D260-E263 VanDerWaalsContact OD1-N 3.15Å; E263-K266 PolarHBondContact O-N 3.46Å; E263-K266 IonicContact OE1-NZ 3.33Å; E263-K266 PolarHBondContact OE1-NZ 3.44Å; E263-K267 PolarHBondContact O-N 3.1Å
264	Y	98.3	Very high	98	Very high	59 Å²	59	52.7 Å²	52.7	23%	0.231	28%	0.282	C	S	.	.	H	α-helix	trans	-69.2	-35.8	175.6	-87.4	-77.5	0	0	0	113.1	L224 I257 D260 K267 F268	L224-Y264 HydrophobicContact CD1-CG 4.42Å; L224-Y264 HydrophobicContact CD2-CD1 4.29Å; L224-Y264 HydrophobicContact CD2-CD2 4.24Å; L224-Y264 HydrophobicContact CD2-CG 3.89Å; I257-Y264 HydrophobicContact CD1-CD1 4.5Å; I257-Y264 HydrophobicContact CD1-CE1 4.27Å; I257-Y264 HydrophobicContact CG2-CD1 4.27Å; I257-Y264 HydrophobicContact CG2-CD2 4.29Å; I257-Y264 HydrophobicContact CG2-CE1 3.54Å; I257-Y264 HydrophobicContact CG2-CE2 3.57Å; I257-Y264 WeakPolarHBondContact CG2-OH 3.27Å; D260-Y264 WeakPolarHBondContact O-CD2 3.46Å; D260-Y264 PolarHBondContact O-N 2.53Å; D260-Y264 VanDerWaalsContact O-N 3.12Å; Y264-K267 HydrophobicContact CD1-CD 4.31Å; Y264-K267 HydrophobicContact CE1-CD 4.4Å; Y264-K267 WeakPolarHBondContact O-CB 3.33Å; Y264-K267 PolarHBondContact O-N 3.46Å; Y264-F268 HydrophobicContact CD1-CE1 4.49Å; Y264-F268 HydrophobicContact CD1-CZ 4.29Å; Y264-F268 WeakPolarHBondContact O-CD2 3.21Å; Y264-F268 VanDerWaalsContact O-CG 3.23Å; Y264-F268 WeakPolarHBondContact O-CG 3.42Å; Y264-F268 PolarHBondContact O-N 3Å
265	L	98.5	Very high	98	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.8	-44	172.5	-78.8	168.5	0	0	0	111.3	L202 C261 V262 K267 F268 I269 I302 H305 V309	L202-L265 HydrophobicContact CD1-CD1 3.89Å; L202-L265 HydrophobicContact CD2-CD1 4.01Å; L202-L265 HydrophobicContact CD2-CD2 4.18Å; L202-L265 HydrophobicContact CD2-CG 4.11Å; C261-L265 VanDerWaalsContact O-CB 3.28Å; C261-L265 WeakPolarHBondContact O-CB 3.48Å; C261-L265 WeakPolarHBondContact O-CD1 3.46Å; C261-L265 WeakPolarHBondContact O-CG 3.36Å; C261-L265 PolarHBondContact O-N 2.97Å; V262-L265 PolarHBondContact O-N 2.82Å; L265-K267 VanDerWaalsContact C-N 3.29Å; L265-K267 PolarHBondContact O-N 3.46Å; L265-F268 PolarHBondContact O-N 2.67Å; L265-I269 WeakPolarHBondContact O-CD1 3.27Å; L265-I269 WeakPolarHBondContact O-CG1 3.45Å; L265-I269 PolarHBondContact O-N 3.33Å; L265-I302 HydrophobicContact CD1-CD1 4.24Å; L265-H305 HydrophobicContact CB-CB 3.93Å; L265-H305 HydrophobicContact CD1-CB 3.88Å; L265-H305 HydrophobicContact CG-CB 4.39Å; L265-V309 HydrophobicContact CD2-CG1 4.17Å; L265-V309 HydrophobicContact CD2-CG2 3.62Å
266	K	98.5	Very high	98.1	Very high	93 Å²	93	50.7 Å²	50.7	40%	0.404	27%	0.274	S	S	.	.	H	α-helix	trans	-57.6	-42.9	173.5	-71.7	170.4	-172.5	164	0	111.7	V262 E263 I269 A270	V262-K266 WeakPolarHBondContact O-CG 3.15Å; V262-K266 PolarHBondContact O-N 3.2Å; E263-K266 PolarHBondContact O-N 3.46Å; E263-K266 IonicContact OE1-NZ 3.33Å; E263-K266 PolarHBondContact OE1-NZ 3.44Å; K266-I269 PolarHBondContact O-N 3.29Å; K266-A270 PolarHBondContact O-N 3.15Å
267	K	98.5	Very high	98.1	Very high	103 Å²	103	50.5 Å²	50.5	45%	0.448	27%	0.272	S	S	.	.	H	α-helix	trans	-60.7	-49.5	175.4	179.7	-178.5	172	-177.7	0	111.7	E263 Y264 L265 I269 A270 E271	E263-K267 PolarHBondContact O-N 3.1Å; Y264-K267 HydrophobicContact CD1-CD 4.31Å; Y264-K267 HydrophobicContact CE1-CD 4.4Å; Y264-K267 WeakPolarHBondContact O-CB 3.33Å; Y264-K267 PolarHBondContact O-N 3.46Å; L265-K267 VanDerWaalsContact C-N 3.29Å; L265-K267 PolarHBondContact O-N 3.46Å; K267-I269 VanDerWaalsContact C-N 3.29Å; K267-I269 PolarHBondContact O-N 3.26Å; K267-A270 PolarHBondContact O-N 3.37Å; K267-A270 VanDerWaalsContact O-N 3.14Å; K267-E271 WeakPolarHBondContact CE-OE1 3.38Å; K267-E271 WeakPolarHBondContact CG-OE1 3.41Å; K267-E271 WeakPolarHBondContact O-CG 3.42Å; K267-E271 PolarHBondContact O-N 3.38Å
268	F	98.6	Very high	98.1	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-36.5	178.3	-65.1	-24.7	0	0	0	112.7	V222 L224 Y264 L265 E271 G272 R273 F275 V309	V222-F268 HydrophobicContact CG1-CZ 4.24Å; L224-F268 HydrophobicContact CD1-CE2 4.14Å; L224-F268 HydrophobicContact CD2-CE2 4.49Å; L224-F268 HydrophobicContact CD2-CZ 4.47Å; Y264-F268 HydrophobicContact CD1-CE1 4.49Å; Y264-F268 HydrophobicContact CD1-CZ 4.29Å; Y264-F268 WeakPolarHBondContact O-CD2 3.21Å; Y264-F268 VanDerWaalsContact O-CG 3.23Å; Y264-F268 WeakPolarHBondContact O-CG 3.42Å; Y264-F268 PolarHBondContact O-N 3Å; L265-F268 PolarHBondContact O-N 2.67Å; F268-E271 PolarHBondContact O-N 2.81Å; F268-G272 PolarHBondContact O-N 3.04Å; F268-G272 VanDerWaalsContact O-N 3.08Å; F268-R273 HydrophobicContact CB-CB 4.15Å; F268-R273 PolarHBondContact O-N 2.8Å; F268-F275 AromaticContact CD2-CE2 3.77Å; F268-F275 HydrophobicContact CD2-CE2 3.77Å; F268-F275 AromaticContact CD2-CZ 3.93Å; F268-F275 HydrophobicContact CD2-CZ 3.93Å; F268-F275 HydrophobicContact CE2-CE2 4.22Å; F268-F275 AromaticContact CE2-CZ 3.93Å; F268-F275 HydrophobicContact CE2-CZ 3.93Å; F268-F275 HydrophobicContact CG-CE2 4.24Å; F268-F275 HydrophobicContact CG-CZ 4.45Å; F268-F275 HydrophobicContact CZ-CZ 4.47Å; F268-V309 HydrophobicContact CB-CG1 3.87Å
269	I	98.4	Very high	98.1	Very high	56 Å²	56	45.7 Å²	45.7	29%	0.287	24%	0.244	S	C	.	.	H	α-helix	trans	-62.2	-47.7	173.4	-67.1	163.7	0	0	0	110.5	L265 K266 K267 E271 G272 H305 K308 V309	L265-I269 WeakPolarHBondContact O-CD1 3.27Å; L265-I269 WeakPolarHBondContact O-CG1 3.45Å; L265-I269 PolarHBondContact O-N 3.33Å; K266-I269 PolarHBondContact O-N 3.29Å; K267-I269 VanDerWaalsContact C-N 3.29Å; K267-I269 PolarHBondContact O-N 3.26Å; I269-E271 VanDerWaalsContact C-N 3.29Å; I269-E271 PolarHBondContact O-N 3.49Å; I269-G272 PolarHBondContact O-N 2.9Å; I269-G272 VanDerWaalsContact O-N 3.08Å; I269-H305 HydrophobicContact CD1-CB 4.11Å; I269-K308 HydrophobicContact CD1-CB 3.72Å; I269-K308 HydrophobicContact CD1-CD 3.87Å; I269-K308 HydrophobicContact CD1-CG 4.46Å; I269-K308 HydrophobicContact CG1-CB 3.77Å; I269-V309 HydrophobicContact CD1-CG1 4.45Å; I269-V309 HydrophobicContact CG1-CG1 3.56Å
270	A	98.5	Very high	98.2	Very high	91 Å²	91	45 Å²	45	75%	0.752	24%	0.236	S	C	*	.	H	α-helix	trans	-64	-33.8	179.3	0	0	0	0	0	112.8	K266 K267 G272	K266-A270 PolarHBondContact O-N 3.15Å; K267-A270 PolarHBondContact O-N 3.37Å; K267-A270 VanDerWaalsContact O-N 3.14Å; A270-G272 VanDerWaalsContact C-N 3.28Å
271	E	98	Very high	98.1	Very high	117 Å²	117	42.8 Å²	42.8	55%	0.547	23%	0.225	S	C	.	.	H	α-helix	trans	-78	-10.8	175.4	-68.9	171.2	174.7	0	0	113.2	K267 F268 I269 R273	K267-E271 WeakPolarHBondContact CE-OE1 3.38Å; K267-E271 WeakPolarHBondContact CG-OE1 3.41Å; K267-E271 WeakPolarHBondContact O-CG 3.42Å; K267-E271 PolarHBondContact O-N 3.38Å; F268-E271 PolarHBondContact O-N 2.81Å; I269-E271 VanDerWaalsContact C-N 3.29Å; I269-E271 PolarHBondContact O-N 3.49Å; E271-R273 PolarHBondContact O-N 2.82Å
272	G	97.8	Very high	97.8	Very high	52 Å²	52	44.3 Å²	44.3	54%	0.536	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	20.2	-173.8	0	0	0	0	0	113.7	F268 I269 A270	F268-G272 PolarHBondContact O-N 3.04Å; F268-G272 VanDerWaalsContact O-N 3.08Å; I269-G272 PolarHBondContact O-N 2.9Å; I269-G272 VanDerWaalsContact O-N 3.08Å; A270-G272 VanDerWaalsContact C-N 3.28Å
273	R	98.2	Very high	97.3	Very high	55 Å²	55	47.6 Å²	47.6	21%	0.208	25%	0.252	C	S	.	.			trans	-68.3	138.4	179.3	-173.2	176.9	-176.4	178.9	3.5	110.2	F268 E271 F275	F268-R273 HydrophobicContact CB-CB 4.15Å; F268-R273 PolarHBondContact O-N 2.8Å; E271-R273 PolarHBondContact O-N 2.82Å; R273-F275 HydrophobicContact CG-CE2 4.06Å; R273-F275 HydrophobicContact CG-CZ 4.07Å; R273-F275 VanDerWaalsContact NE-CZ 3.27Å
274	K	98.5	Very high	96.9	Very high	88 Å²	88	45.9 Å²	45.9	38%	0.383	25%	0.246	S	C	.	.			trans	-129.1	139	-178	-64.1	-63.1	-167.4	167.3	0	112.5	K308 V309 L310 K311	K274-K308 PolarHBondContact NZ-O 3.1Å; K274-V309 CarbonylContact C-O 3.58Å; K274-V309 WeakPolarHBondContact CA-O 3.4Å; K274-L310 WeakPolarHBondContact CD-O 3.31Å; K274-L310 PolarHBondContact NZ-O 2.74Å; K274-K311 HydrophobicContact CB-CG 3.77Å
275	F	98.8	Very high	96.4	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	148	179.7	-60.3	-88.1	0	0	0	111.5	E198 C200 V222 F268 R273 V278 V309 K311	E198-F275 HydrophobicContact CB-CD1 4.3Å; C200-F275 HydrophobicContact CB-CD1 3.82Å; C200-F275 HydrophobicContact CB-CD2 4.04Å; C200-F275 HydrophobicContact CB-CE1 3.83Å; C200-F275 HydrophobicContact CB-CE2 4.07Å; C200-F275 HydrophobicContact CB-CG 3.91Å; C200-F275 HydrophobicContact CB-CZ 3.95Å; V222-F275 HydrophobicContact CG2-CE1 4.42Å; F268-F275 AromaticContact CD2-CE2 3.77Å; F268-F275 HydrophobicContact CD2-CE2 3.77Å; F268-F275 AromaticContact CD2-CZ 3.93Å; F268-F275 HydrophobicContact CD2-CZ 3.93Å; F268-F275 HydrophobicContact CE2-CE2 4.22Å; F268-F275 AromaticContact CE2-CZ 3.93Å; F268-F275 HydrophobicContact CE2-CZ 3.93Å; F268-F275 HydrophobicContact CG-CE2 4.24Å; F268-F275 HydrophobicContact CG-CZ 4.45Å; F268-F275 HydrophobicContact CZ-CZ 4.47Å; R273-F275 HydrophobicContact CG-CE2 4.06Å; R273-F275 HydrophobicContact CG-CZ 4.07Å; R273-F275 VanDerWaalsContact NE-CZ 3.27Å; F275-V278 HydrophobicContact CB-CG2 4.23Å; F275-V309 HydrophobicContact CD2-CB 4Å; F275-V309 HydrophobicContact CD2-CG2 4Å; F275-V309 HydrophobicContact CE2-CB 4.3Å; F275-V309 HydrophobicContact CE2-CG2 4.41Å; F275-V309 PolarHBondContact N-O 2.98Å; F275-K311 WeakPolarHBondContact O-CG 2.88Å; F275-K311 PolarHBondContact O-N 3.08Å
276	D	98.8	Very high	95.9	Very high	14 Å²	14	44.6 Å²	44.6	8%	0.075	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-36.2	169.4	-59	-81.8	0	0	0	110.7	K197 E198 K311 G314 K315	K197-D276 HydrophobicContact CB-CB 4.07Å; K197-D276 HydrophobicContact CD-CB 3.81Å; K197-D276 HydrophobicContact CG-CB 4.41Å; K197-D276 IonicContact NZ-OD1 2.72Å; E198-D276 PolarHBondContact N-OD2 3.27Å; E198-D276 PolarHBondContact O-N 2.94Å; D276-K311 VanDerWaalsContact OD1-CD 3.3Å; D276-K311 WeakPolarHBondContact OD1-CD 3.36Å; D276-K311 IonicContact OD1-NZ 2.9Å; D276-K311 PolarHBondContact OD1-NZ 2.82Å; D276-K311 IonicContact OD2-NZ 2.75Å; D276-K311 PolarHBondContact OD2-NZ 3.32Å; D276-G314 CarbonylContact O-C 3.55Å; D276-G314 WeakPolarHBondContact O-CA 3.36Å; D276-K315 PolarHBondContact O-N 3.5Å
277	Y	98.9	Very high	95.3	Very high	15 Å²	15	43.5 Å²	43.5	6%	0.059	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	139.7	-179.3	-64.5	-91.7	0	0	0	111.4	E192 Y194 K197 E198 I199 C200 K315 L317	E192-Y277 HydrophobicContact CB-CE1 4.49Å; E192-Y277 HydrophobicContact CG-CE1 4.29Å; E192-Y277 WeakPolarHBondContact OE2-CE1 3.41Å; E192-Y277 PolarHBondContact OE2-OH 3.2Å; Y194-Y277 AromaticContact CD1-CD2 3.9Å; Y194-Y277 HydrophobicContact CD1-CD2 3.9Å; Y194-Y277 HydrophobicContact CD1-CE1 4.48Å; Y194-Y277 AromaticContact CD1-CE2 3.92Å; Y194-Y277 HydrophobicContact CD1-CE2 3.92Å; Y194-Y277 HydrophobicContact CD1-CG 4.22Å; Y194-Y277 AromaticContact CE1-CD1 3.75Å; Y194-Y277 HydrophobicContact CE1-CD1 3.75Å; Y194-Y277 AromaticContact CE1-CD2 3.95Å; Y194-Y277 HydrophobicContact CE1-CD2 3.95Å; Y194-Y277 AromaticContact CE1-CE1 3.79Å; Y194-Y277 HydrophobicContact CE1-CE1 3.79Å; Y194-Y277 HydrophobicContact CE1-CE2 4.03Å; Y194-Y277 AromaticContact CE1-CG 3.83Å; Y194-Y277 HydrophobicContact CE1-CG 3.83Å; Y194-Y277 AromaticContact CE1-CZ 3.94Å; K197-Y277 HydrophobicContact CB-CD2 4.14Å; K197-Y277 HydrophobicContact CB-CE2 4.19Å; K197-Y277 HydrophobicContact CD-CE2 4.17Å; K197-Y277 HydrophobicContact CG-CD2 4.34Å; K197-Y277 HydrophobicContact CG-CE2 3.88Å; E198-Y277 PolarHBondContact O-N 2.94Å; I199-Y277 CarbonylContact C-O 3.49Å; I199-Y277 WeakPolarHBondContact CA-O 3.35Å; I199-Y277 HydrophobicContact CG1-CD2 4.36Å; C200-Y277 PolarHBondContact N-O 3.4Å; Y277-K315 WeakPolarHBondContact CA-O 3.16Å; Y277-K315 HydrophobicContact CD1-CB 3.95Å; Y277-K315 HydrophobicContact CD1-CG 4.4Å; Y277-K315 HydrophobicContact CE1-CB 4.02Å; Y277-K315 HydrophobicContact CE1-CD 3.98Å; Y277-K315 HydrophobicContact CE1-CG 4.01Å; Y277-L317 HydrophobicContact CD1-CD1 3.63Å; Y277-L317 HydrophobicContact CE1-CD1 4.24Å
278	V	98.8	Very high	94.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.5	167	179.1	0	0	0	0	108	C200 L202 F275 V309 L310 K315 Y316 L317	C200-V278 HydrophobicContact CB-CG2 4.2Å; C200-V278 CarbonylContact O-C 3.47Å; C200-V278 VanDerWaalsContact O-CA 3.26Å; C200-V278 WeakPolarHBondContact O-CA 3.46Å; L202-V278 HydrophobicContact CD1-CG1 3.88Å; L202-V278 HydrophobicContact CD2-CG1 4.49Å; L202-V278 HydrophobicContact CG-CG1 4.03Å; F275-V278 HydrophobicContact CB-CG2 4.23Å; V278-V309 HydrophobicContact CG2-CG2 3.96Å; V278-L310 HydrophobicContact CB-CD2 4.17Å; V278-L310 HydrophobicContact CG2-CD2 3.65Å; V278-L310 HydrophobicContact CG2-CG 3.94Å; V278-K315 PolarHBondContact N-O 2.86Å; V278-Y316 HydrophobicContact CB-CD2 3.98Å; V278-Y316 HydrophobicContact CG1-CD2 3.84Å; V278-Y316 HydrophobicContact CG1-CE2 4.03Å; V278-Y316 CarbonylContact O-C 3.54Å; V278-Y316 VanDerWaalsContact O-CA 3.25Å; V278-Y316 WeakPolarHBondContact O-CA 3.48Å; V278-Y316 WeakPolarHBondContact O-CD2 3.34Å; V278-L317 PolarHBondContact O-N 3.27Å
279	F	98.8	Very high	94.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.4	175	-71.1	-88	0	0	0	110	L186 M187 Y194 I199 C200 I201 L202 L209 L213 L317	L186-F279 HydrophobicContact CD1-CD1 4.49Å; L186-F279 HydrophobicContact CG-CD1 4.26Å; M187-F279 HydrophobicContact CB-CE1 4.26Å; M187-F279 HydrophobicContact CB-CZ 4.37Å; Y194-F279 HydrophobicContact CE1-CE2 4.14Å; Y194-F279 AromaticContact CE1-CZ 3.84Å; Y194-F279 HydrophobicContact CE1-CZ 3.84Å; Y194-F279 AromaticContact CZ-CZ 3.89Å; Y194-F279 WeakPolarHBondContact OH-CZ 3.22Å; I199-F279 HydrophobicContact CG2-CD2 3.61Å; I199-F279 HydrophobicContact CG2-CE2 3.61Å; C200-F279 PolarHBondContact O-N 3Å; I201-F279 HydrophobicContact CG1-CB 4.34Å; I201-F279 HydrophobicContact CG1-CD2 4.36Å; I201-F279 HydrophobicContact CG2-CB 4.41Å; L202-F279 WeakPolarHBondContact CB-O 3.31Å; L202-F279 WeakPolarHBondContact CG-O 3.13Å; L202-F279 PolarHBondContact N-O 2.83Å; L209-F279 HydrophobicContact CD1-CD1 4.44Å; L209-F279 HydrophobicContact CD1-CE1 4.43Å; L209-F279 HydrophobicContact CD2-CB 3.73Å; L209-F279 HydrophobicContact CD2-CD1 3.85Å; L209-F279 HydrophobicContact CD2-CD2 4.4Å; L209-F279 HydrophobicContact CD2-CG 3.74Å; L213-F279 HydrophobicContact CD1-CD2 4.19Å; L213-F279 HydrophobicContact CD1-CE2 3.88Å; L213-F279 HydrophobicContact CD1-CZ 4.44Å; L213-F279 HydrophobicContact CD2-CE2 4.17Å; L213-F279 HydrophobicContact CD2-CZ 4.24Å; F279-L317 CarbonylContact C-O 3.55Å; F279-L317 VanDerWaalsContact CA-O 3.27Å; F279-L317 WeakPolarHBondContact CA-O 3.32Å; F279-L317 HydrophobicContact CD1-CB 3.61Å; F279-L317 HydrophobicContact CE1-CB 3.54Å; F279-L317 HydrophobicContact CE1-CD1 4.05Å; F279-L317 HydrophobicContact CE1-CD2 3.91Å; F279-L317 HydrophobicContact CE1-CG 4.03Å; F279-L317 HydrophobicContact CZ-CB 4.44Å; F279-L317 HydrophobicContact CZ-CD1 4.14Å; F279-L317 HydrophobicContact CZ-CD2 4.39Å
280	G	97.6	Very high	94	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	104.3	163.9	0	0	0	0	0	109.4	Y316 L317 T318	G280-Y316 WeakPolarHBondContact CA-OH 3.41Å; G280-L317 PolarHBondContact N-O 2.86Å; G280-T318 WeakPolarHBondContact O-CA 3.07Å; G280-T318 PolarHBondContact O-OG1 2.84Å
281	D	93.8	Very high	93.7	Very high	20 Å²	20	43.5 Å²	43.5	11%	0.107	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	65.6	174.2	-159.6	11	0	0	0	108	Y182 L186 L202 G203 G204 H319	Y182-D281 PolarHBondContact OH-OD1 2.87Å; L186-D281 HydrophobicContact CD2-CB 4.44Å; L202-D281 CarbonylContact O-C 3.53Å; L202-D281 PolarHBondContact O-N 2.81Å; G203-D281 WeakPolarHBondContact CA-O 3.38Å; G204-D281 PolarHBondContact N-O 2.79Å; D281-H319 IonicContact OD1-CE1 2.74Å; D281-H319 IonicContact OD1-ND1 2.65Å
282	L	92	Very high	93.4	Very high	44 Å²	44	45.1 Å²	45.1	23%	0.23	25%	0.25	C	S	.	.			trans	-120	-158.9	-165.5	-66	171.2	0	0	0	110.2	L202 F298 I302 H319	L202-L282 HydrophobicContact CB-CD1 3.97Å; L202-L282 HydrophobicContact CB-CD2 4.23Å; L202-L282 HydrophobicContact CB-CG 4.18Å; L202-L282 WeakPolarHBondContact O-CD2 3.24Å; L202-L282 WeakPolarHBondContact O-CG 3.39Å; L282-F298 HydrophobicContact CB-CE1 4.44Å; L282-F298 HydrophobicContact CD1-CE1 3.99Å; L282-F298 HydrophobicContact CD1-CZ 4.07Å; L282-F298 HydrophobicContact CD2-CZ 4.46Å; L282-I302 HydrophobicContact CD1-CB 4.47Å; L282-I302 HydrophobicContact CD1-CD1 3.83Å; L282-I302 HydrophobicContact CD1-CG1 3.83Å; L282-I302 HydrophobicContact CD1-CG2 3.91Å; L282-H319 PolarHBondContact O-CE1 3.36Å; L282-H319 PolarHBondContact O-NE2 3.3Å
283	T	85.1	Confident	93.2	Very high	85 Å²	85	44.7 Å²	44.7	52%	0.521	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-64.3	141.4	177.2	55	0	0	0	0	112.7
284	D	89.6	Confident	93	Very high	67 Å²	67	50.3 Å²	50.3	36%	0.358	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-55	160.8	173.5	-67.3	-11.8	0	0	0	113.9	H319 W359	D284-H319 IonicContact OD1-NE2 2.75Å; D284-W359 WeakPolarHBondContact OD1-CH2 3.38Å
285	I	89.5	Confident	92.8	Very high	6 Å²	6	49.1 Å²	49.1	3%	0.031	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-68.9	128.2	174.8	-54.1	165.6	0	0	0	109	I287 W296 N321 Q328 L329 F332	I285-I287 PolarHBondContact O-N 2.65Å; I285-W296 HydrophobicContact CG2-CH2 3.58Å; I285-W296 HydrophobicContact CG2-CZ2 3.66Å; I285-W296 HydrophobicContact CG2-CZ3 4.46Å; I285-N321 WeakPolarHBondContact CB-OD1 3.34Å; I285-N321 PolarHBondContact N-OD1 3.18Å; I285-N321 PolarHBondContact O-ND2 3.46Å; I285-Q328 HydrophobicContact CG2-CB 3.94Å; I285-L329 HydrophobicContact CD1-CD2 4.06Å; I285-F332 HydrophobicContact CD1-CB 3.69Å; I285-F332 HydrophobicContact CD1-CD1 4.23Å; I285-F332 HydrophobicContact CD1-CD2 3.47Å; I285-F332 VanDerWaalsContact CD1-CD2 3.47Å; I285-F332 HydrophobicContact CD1-CE2 3.96Å; I285-F332 HydrophobicContact CD1-CG 3.57Å; I285-F332 HydrophobicContact CG1-CB 4.44Å; I285-F332 HydrophobicContact CG1-CD2 3.55Å; I285-F332 HydrophobicContact CG1-CE2 3.88Å; I285-F332 HydrophobicContact CG1-CG 4.18Å
286	P	86.8	Confident	92.6	Very high	25 Å²	25	49.1 Å²	49.1	16%	0.162	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-59.1	136.5	-179.8	-24.7	33.1	0	0	0	113.5	T288 T295 Q328	P286-T288 VanDerWaalsContact C-N 3.27Å; P286-T288 HydrophobicContact CB-CG2 4.06Å; P286-T288 PolarHBondContact O-N 2.94Å; P286-T288 PolarHBondContact O-OG1 2.97Å; P286-T295 VanDerWaalsContact CG-CB 3.49Å; P286-T295 HydrophobicContact CG-CG2 3.43Å; P286-T295 VanDerWaalsContact CG-CG2 3.43Å; P286-Q328 VanDerWaalsContact O-CG 3.27Å; P286-Q328 WeakPolarHBondContact O-CG 3.4Å
287	I	86.1	Confident	92.5	Very high	70 Å²	70	52.4 Å²	52.4	36%	0.359	29%	0.292	S	S	.	.	S	Bend	trans	-77.7	80.1	174.9	-48.9	-50.1	0	0	0	109.9	S132 E134 I285 Q328	S132-I287 WeakPolarHBondContact O-CD1 3.31Å; S132-I287 WeakPolarHBondContact O-CG1 3.3Å; E134-I287 HydrophobicContact CG-CG2 4.42Å; I285-I287 PolarHBondContact O-N 2.65Å; I287-Q328 HydrophobicContact CD1-CG 3.99Å
288	T	90	Very high	92.3	Very high	49 Å²	49	54.5 Å²	54.5	30%	0.301	30%	0.302	S	S	.	.			trans	-135.1	161.1	-176.2	51.5	0	0	0	0	110.1	P286 A290 W296 Q328	P286-T288 VanDerWaalsContact C-N 3.27Å; P286-T288 HydrophobicContact CB-CG2 4.06Å; P286-T288 PolarHBondContact O-N 2.94Å; P286-T288 PolarHBondContact O-OG1 2.97Å; T288-A290 PolarHBondContact OG1-O 2.79Å; T288-W296 PolarHBondContact OG1-NE1 3.15Å; T288-W296 VanDerWaalsContact OG1-NE1 3.14Å; T288-Q328 PolarHBondContact O-NE2 2.85Å
289	D	88.1	Confident	92.2	Very high	143 Å²	143	55.1 Å²	55.1	77%	0.765	31%	0.305	S	S	*	.	S	Bend	trans	-95.3	-8	175.7	62.4	-16.4	0	0	0	113.3
290	A	90.4	Very high	92.1	Very high	29 Å²	29	58.7 Å²	58.7	24%	0.24	32%	0.318	C	S	.	.	S	Bend	trans	-137.1	149	176.4	0	0	0	0	0	112.1	T288 E292 W296	T288-A290 PolarHBondContact OG1-O 2.79Å; A290-E292 HydrophobicContact CB-CG 4.2Å; A290-E292 PolarHBondContact O-N 2.89Å; A290-W296 PolarHBondContact O-NE1 3.45Å
291	P	91.2	Very high	92	Very high	33 Å²	33	60.8 Å²	60.8	21%	0.214	33%	0.331	C	S	.	.	S	Bend	trans	-83.8	52.7	-175.9	35.8	-34.3	0	0	0	113.2	W296 R300 L331 Q335	P291-W296 VanDerWaalsContact C-CD1 3.42Å; P291-W296 VanDerWaalsContact C-CG 3.42Å; P291-W296 HydrophobicContact CB-CD2 3.86Å; P291-W296 HydrophobicContact CB-CE3 4.13Å; P291-W296 HydrophobicContact CB-CG 4.21Å; P291-W296 HydrophobicContact CB-CZ2 4.36Å; P291-W296 WeakPolarHBondContact O-CB 3.33Å; P291-R300 PolarHBondContact O-NH1 2.9Å; P291-L331 HydrophobicContact CG-CD2 4.39Å; P291-Q335 HydrophobicContact CB-CG 4.33Å
292	E	93	Very high	92.2	Very high	151 Å²	151	60 Å²	60	71%	0.706	33%	0.327	S	S	*	.			trans	-117.2	153.3	-171.8	-61.4	-178	-175	0	0	112.5	A290 W296	A290-E292 HydrophobicContact CB-CG 4.2Å; A290-E292 PolarHBondContact O-N 2.89Å; E292-W296 VanDerWaalsContact O-CD1 3.3Å
293	G	93.6	Very high	92.5	Very high	43 Å²	43	58 Å²	58	44%	0.443	32%	0.317	S	S	.	.	S	Bend	trans	98.2	173.5	178.5	0	0	0	0	0	114.5	T295 W296 D297	G293-T295 VanDerWaalsContact C-N 3.33Å; G293-T295 PolarHBondContact O-N 2.93Å; G293-W296 PolarHBondContact O-N 2.86Å; G293-W296 VanDerWaalsContact O-N 3.1Å; G293-D297 PolarHBondContact O-N 2.91Å
294	E	93.8	Very high	93.1	Very high	174 Å²	174	58.4 Å²	58.4	81%	0.813	31%	0.313	S	S	*	.	H	α-helix	trans	-60.3	-38.2	-167.7	-63.3	-177	173.5	0	0	113.1	W296 D297 F298	E294-W296 PolarHBondContact O-N 2.83Å; E294-D297 WeakPolarHBondContact O-CB 3.41Å; E294-D297 PolarHBondContact O-N 2.87Å; E294-F298 WeakPolarHBondContact O-CB 3.34Å; E294-F298 PolarHBondContact O-N 2.78Å
295	T	93.5	Very high	93.5	Very high	62 Å²	62	56.3 Å²	56.3	38%	0.38	30%	0.3	S	S	.	.	H	α-helix	trans	-66.5	-37.8	178.3	-45.2	0	0	0	0	112.1	P286 G293 F298 I299	P286-T295 VanDerWaalsContact CG-CB 3.49Å; P286-T295 HydrophobicContact CG-CG2 3.43Å; P286-T295 VanDerWaalsContact CG-CG2 3.43Å; G293-T295 VanDerWaalsContact C-N 3.33Å; G293-T295 PolarHBondContact O-N 2.93Å; T295-F298 WeakPolarHBondContact O-CB 3.32Å; T295-F298 PolarHBondContact O-N 2.92Å; T295-I299 HydrophobicContact CG2-CD1 4.46Å; T295-I299 WeakPolarHBondContact O-CG1 3.39Å; T295-I299 PolarHBondContact O-N 3.08Å
296	W	95.4	Very high	93.9	Very high	1 Å²	1	56 Å²	56	0%	0.004	30%	0.299	C	S	.	.	H	α-helix	trans	-70.7	-35.6	174.6	-80.1	110.7	0	0	0	112	I285 T288 A290 P291 E292 G293 E294 F298 I299 R300 L331 F332 Q335	I285-W296 HydrophobicContact CG2-CH2 3.58Å; I285-W296 HydrophobicContact CG2-CZ2 3.66Å; I285-W296 HydrophobicContact CG2-CZ3 4.46Å; T288-W296 PolarHBondContact OG1-NE1 3.15Å; T288-W296 VanDerWaalsContact OG1-NE1 3.14Å; A290-W296 PolarHBondContact O-NE1 3.45Å; P291-W296 VanDerWaalsContact C-CD1 3.42Å; P291-W296 VanDerWaalsContact C-CG 3.42Å; P291-W296 HydrophobicContact CB-CD2 3.86Å; P291-W296 HydrophobicContact CB-CE3 4.13Å; P291-W296 HydrophobicContact CB-CG 4.21Å; P291-W296 HydrophobicContact CB-CZ2 4.36Å; P291-W296 WeakPolarHBondContact O-CB 3.33Å; E292-W296 VanDerWaalsContact O-CD1 3.3Å; G293-W296 PolarHBondContact O-N 2.86Å; G293-W296 VanDerWaalsContact O-N 3.1Å; E294-W296 PolarHBondContact O-N 2.83Å; W296-F298 VanDerWaalsContact C-N 3.32Å; W296-I299 HydrophobicContact CE3-CD1 4.06Å; W296-I299 HydrophobicContact CE3-CG2 4.49Å; W296-I299 HydrophobicContact CZ3-CD1 4.29Å; W296-I299 PolarHBondContact O-N 2.78Å; W296-R300 WeakPolarHBondContact O-CG 3.4Å; W296-R300 PolarHBondContact O-N 2.76Å; W296-L331 HydrophobicContact CH2-CB 3.73Å; W296-L331 HydrophobicContact CZ2-CB 3.82Å; W296-L331 HydrophobicContact CZ2-CD1 4.28Å; W296-F332 HydrophobicContact CH2-CB 4.18Å; W296-F332 HydrophobicContact CZ3-CB 4.48Å; W296-F332 HydrophobicContact CZ3-CD2 4.43Å; W296-Q335 HydrophobicContact CE3-CG 3.66Å; W296-Q335 HydrophobicContact CH2-CG 4.41Å; W296-Q335 HydrophobicContact CZ3-CB 4.38Å; W296-Q335 HydrophobicContact CZ3-CG 3.43Å; W296-Q335 VanDerWaalsContact CZ3-CG 3.43Å
297	D	95.5	Very high	94.4	Very high	83 Å²	83	55.5 Å²	55.5	44%	0.444	29%	0.294	S	S	.	.	H	α-helix	trans	-61.8	-41	171	-74.9	-35.8	0	0	0	111.9	G293 E294 R300 T301	G293-D297 PolarHBondContact O-N 2.91Å; E294-D297 WeakPolarHBondContact O-CB 3.41Å; E294-D297 PolarHBondContact O-N 2.87Å; D297-R300 PolarHBondContact O-N 3.3Å; D297-R300 IonicContact OD1-CZ 3.89Å; D297-R300 IonicContact OD1-NE 3.53Å; D297-R300 IonicContact OD1-NH2 3.78Å; D297-R300 PolarHBondContact OD1-NH2 2.88Å; D297-T301 WeakPolarHBondContact O-CB 3.33Å; D297-T301 PolarHBondContact O-N 3.39Å; D297-T301 PolarHBondContact O-OG1 3.33Å
298	F	95.8	Very high	95	Very high	60 Å²	60	56.4 Å²	56.4	26%	0.263	30%	0.296	S	S	.	.	H	α-helix	trans	-62.2	-50.4	174.4	179.2	-106.4	0	0	0	111.4	V262 L282 E294 T295 W296 R300 T301 I302	V262-F298 HydrophobicContact CG2-CD2 4.21Å; V262-F298 HydrophobicContact CG2-CE2 3.78Å; L282-F298 HydrophobicContact CB-CE1 4.44Å; L282-F298 HydrophobicContact CD1-CE1 3.99Å; L282-F298 HydrophobicContact CD1-CZ 4.07Å; L282-F298 HydrophobicContact CD2-CZ 4.46Å; E294-F298 WeakPolarHBondContact O-CB 3.34Å; E294-F298 PolarHBondContact O-N 2.78Å; T295-F298 WeakPolarHBondContact O-CB 3.32Å; T295-F298 PolarHBondContact O-N 2.92Å; W296-F298 VanDerWaalsContact C-N 3.32Å; F298-R300 VanDerWaalsContact C-N 3.34Å; F298-R300 PolarHBondContact O-N 3.4Å; F298-T301 WeakPolarHBondContact O-CB 3.39Å; F298-T301 PolarHBondContact O-N 3.22Å; F298-T301 VanDerWaalsContact O-N 3.1Å; F298-I302 HydrophobicContact CD1-CG1 4.24Å; F298-I302 HydrophobicContact CD2-CG1 4.32Å; F298-I302 HydrophobicContact CE1-CD1 4.42Å; F298-I302 HydrophobicContact CE1-CG1 3.88Å; F298-I302 HydrophobicContact CE2-CD1 3.95Å; F298-I302 HydrophobicContact CE2-CG1 3.97Å; F298-I302 HydrophobicContact CG-CG1 4.45Å; F298-I302 HydrophobicContact CZ-CD1 3.8Å; F298-I302 HydrophobicContact CZ-CG1 3.73Å; F298-I302 WeakPolarHBondContact O-CG1 3.49Å; F298-I302 PolarHBondContact O-N 2.65Å
299	I	96.1	Very high	95.4	Very high	12 Å²	12	54.1 Å²	54.1	6%	0.062	28%	0.281	C	S	.	.	H	α-helix	trans	-55.7	-47.1	177.1	-70.7	166.6	0	0	0	111.3	T295 W296 T301 I302 F303 F332	T295-I299 HydrophobicContact CG2-CD1 4.46Å; T295-I299 WeakPolarHBondContact O-CG1 3.39Å; T295-I299 PolarHBondContact O-N 3.08Å; W296-I299 HydrophobicContact CE3-CD1 4.06Å; W296-I299 HydrophobicContact CE3-CG2 4.49Å; W296-I299 HydrophobicContact CZ3-CD1 4.29Å; W296-I299 PolarHBondContact O-N 2.78Å; I299-T301 VanDerWaalsContact C-N 3.33Å; I299-T301 PolarHBondContact O-N 3Å; I299-I302 PolarHBondContact O-N 3.03Å; I299-F303 HydrophobicContact CG2-CD2 4.1Å; I299-F303 HydrophobicContact CG2-CE1 4.19Å; I299-F303 HydrophobicContact CG2-CE2 3.64Å; I299-F303 HydrophobicContact CG2-CZ 3.7Å; I299-F303 WeakPolarHBondContact O-CG 3.3Å; I299-F303 PolarHBondContact O-N 3.15Å; I299-F332 HydrophobicContact CG2-CD2 4.41Å; I299-F332 HydrophobicContact CG2-CE2 4.22Å
300	R	96.2	Very high	95.9	Very high	75 Å²	75	47.4 Å²	47.4	28%	0.283	25%	0.245	S	C	.	.	H	α-helix	trans	-59.6	-43.9	176.9	-76.8	-174.1	-74.4	-91.3	1.8	112	P291 W296 D297 F298 F303 E304 Q335	P291-R300 PolarHBondContact O-NH1 2.9Å; W296-R300 WeakPolarHBondContact O-CG 3.4Å; W296-R300 PolarHBondContact O-N 2.76Å; D297-R300 PolarHBondContact O-N 3.3Å; D297-R300 IonicContact OD1-CZ 3.89Å; D297-R300 IonicContact OD1-NE 3.53Å; D297-R300 IonicContact OD1-NH2 3.78Å; D297-R300 PolarHBondContact OD1-NH2 2.88Å; F298-R300 VanDerWaalsContact C-N 3.34Å; F298-R300 PolarHBondContact O-N 3.4Å; R300-F303 PolarHBondContact O-N 2.7Å; R300-E304 WeakPolarHBondContact O-CB 3.27Å; R300-E304 PolarHBondContact O-N 2.88Å; R300-Q335 VanDerWaalsContact NH1-OE1 3.12Å
301	T	97.1	Very high	96.3	Very high	44 Å²	44	48.3 Å²	48.3	27%	0.27	24%	0.244	S	C	.	.	H	α-helix	trans	-61.2	-47.7	178	-61.2	0	0	0	0	110.9	V262 D297 F298 I299 F303 E304 H305	V262-T301 HydrophobicContact CG1-CG2 3.73Å; V262-T301 HydrophobicContact CG2-CG2 4.12Å; D297-T301 WeakPolarHBondContact O-CB 3.33Å; D297-T301 PolarHBondContact O-N 3.39Å; D297-T301 PolarHBondContact O-OG1 3.33Å; F298-T301 WeakPolarHBondContact O-CB 3.39Å; F298-T301 PolarHBondContact O-N 3.22Å; F298-T301 VanDerWaalsContact O-N 3.1Å; I299-T301 VanDerWaalsContact C-N 3.33Å; I299-T301 PolarHBondContact O-N 3Å; T301-F303 PolarHBondContact O-N 3.24Å; T301-E304 PolarHBondContact O-N 3.02Å; T301-H305 VanDerWaalsContact O-CB 3.3Å; T301-H305 WeakPolarHBondContact O-CB 3.26Å; T301-H305 PolarHBondContact O-N 2.59Å; T301-H305 PolarHBondContact O-ND1 2.84Å
302	I	97.8	Very high	96.5	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.015	27%	0.27	C	S	.	.	H	α-helix	trans	-59.3	-47.5	177.9	-69.2	-64.2	0	0	0	110.8	L202 V262 L265 L282 F298 I299 S306 Y316	L202-I302 HydrophobicContact CD1-CD1 4.31Å; L202-I302 HydrophobicContact CD1-CG2 3.8Å; V262-I302 HydrophobicContact CG2-CD1 3.92Å; L265-I302 HydrophobicContact CD1-CD1 4.24Å; L282-I302 HydrophobicContact CD1-CB 4.47Å; L282-I302 HydrophobicContact CD1-CD1 3.83Å; L282-I302 HydrophobicContact CD1-CG1 3.83Å; L282-I302 HydrophobicContact CD1-CG2 3.91Å; F298-I302 HydrophobicContact CD1-CG1 4.24Å; F298-I302 HydrophobicContact CD2-CG1 4.32Å; F298-I302 HydrophobicContact CE1-CD1 4.42Å; F298-I302 HydrophobicContact CE1-CG1 3.88Å; F298-I302 HydrophobicContact CE2-CD1 3.95Å; F298-I302 HydrophobicContact CE2-CG1 3.97Å; F298-I302 HydrophobicContact CG-CG1 4.45Å; F298-I302 HydrophobicContact CZ-CD1 3.8Å; F298-I302 HydrophobicContact CZ-CG1 3.73Å; F298-I302 WeakPolarHBondContact O-CG1 3.49Å; F298-I302 PolarHBondContact O-N 2.65Å; I299-I302 PolarHBondContact O-N 3.03Å; I302-S306 WeakPolarHBondContact O-CB 3.44Å; I302-S306 PolarHBondContact O-N 3.42Å; I302-S306 PolarHBondContact O-OG 2.99Å; I302-Y316 HydrophobicContact CG2-CE2 4.49Å
303	F	97.5	Very high	96.7	Very high	3 Å²	3	50.5 Å²	50.5	1%	0.013	27%	0.265	C	S	.	.	H	α-helix	trans	-59.8	-54.7	176.6	-69.9	-13.7	0	0	0	111.6	I299 R300 T301 H305 S306 F307 Y316 F332 Q335 L336 L339	I299-F303 HydrophobicContact CG2-CD2 4.1Å; I299-F303 HydrophobicContact CG2-CE1 4.19Å; I299-F303 HydrophobicContact CG2-CE2 3.64Å; I299-F303 HydrophobicContact CG2-CZ 3.7Å; I299-F303 WeakPolarHBondContact O-CG 3.3Å; I299-F303 PolarHBondContact O-N 3.15Å; R300-F303 PolarHBondContact O-N 2.7Å; T301-F303 PolarHBondContact O-N 3.24Å; F303-H305 VanDerWaalsContact C-N 3.27Å; F303-H305 PolarHBondContact O-N 2.82Å; F303-S306 PolarHBondContact O-N 2.82Å; F303-F307 VanDerWaalsContact O-CD2 3.29Å; F303-F307 WeakPolarHBondContact O-CD2 3.36Å; F303-F307 PolarHBondContact O-N 2.95Å; F303-Y316 AromaticContact CD1-CE1 3.88Å; F303-Y316 HydrophobicContact CD1-CE1 3.88Å; F303-Y316 AromaticContact CE1-CE1 3.66Å; F303-Y316 HydrophobicContact CE1-CE1 3.66Å; F303-F332 HydrophobicContact CE1-CE2 4.22Å; F303-F332 HydrophobicContact CE1-CZ 4.01Å; F303-F332 HydrophobicContact CE2-CE2 4.36Å; F303-F332 HydrophobicContact CZ-CD2 4.12Å; F303-F332 AromaticContact CZ-CE1 3.98Å; F303-F332 HydrophobicContact CZ-CE1 3.98Å; F303-F332 AromaticContact CZ-CE2 3.47Å; F303-F332 HydrophobicContact CZ-CE2 3.47Å; F303-F332 VanDerWaalsContact CZ-CE2 3.47Å; F303-F332 AromaticContact CZ-CZ 3.42Å; F303-F332 HydrophobicContact CZ-CZ 3.42Å; F303-F332 VanDerWaalsContact CZ-CZ 3.42Å; F303-Q335 HydrophobicContact CE2-CB 4.34Å; F303-L336 HydrophobicContact CD1-CD2 4.44Å; F303-L336 HydrophobicContact CD2-CD2 3.85Å; F303-L336 HydrophobicContact CE1-CD2 4.1Å; F303-L336 HydrophobicContact CE2-CD2 3.45Å; F303-L336 VanDerWaalsContact CE2-CD2 3.45Å; F303-L336 HydrophobicContact CE2-CG 3.82Å; F303-L336 HydrophobicContact CG-CD2 4.32Å; F303-L336 HydrophobicContact CZ-CD2 3.57Å; F303-L336 HydrophobicContact CZ-CG 4.06Å; F303-L339 HydrophobicContact CB-CD1 3.92Å; F303-L339 HydrophobicContact CB-CD2 3.69Å; F303-L339 HydrophobicContact CB-CG 4.35Å; F303-L339 HydrophobicContact CD2-CD1 4.26Å; F303-L339 HydrophobicContact CG-CD1 4.3Å
304	E	97.1	Very high	96.9	Very high	94 Å²	94	48.6 Å²	48.6	44%	0.439	25%	0.245	S	C	.	.	H	α-helix	trans	-56.7	-44.1	-176.9	-171.6	-173.3	171.2	0	0	111.6	R300 T301 K308	R300-E304 WeakPolarHBondContact O-CB 3.27Å; R300-E304 PolarHBondContact O-N 2.88Å; T301-E304 PolarHBondContact O-N 3.02Å; E304-K308 WeakPolarHBondContact O-CG 3.33Å; E304-K308 PolarHBondContact O-N 3.12Å; E304-K308 WeakPolarHBondContact OE1-CE 3.38Å; E304-K308 IonicContact OE1-NZ 2.65Å; E304-K308 PolarHBondContact OE1-NZ 2.89Å
305	H	98.2	Very high	97.1	Very high	22 Å²	22	42.5 Å²	42.5	10%	0.102	22%	0.216	C	C	.	.	H	α-helix	trans	-74.4	-39	-177.2	-71.9	52.9	0	0	0	112.1	L265 I269 T301 F303 F307 K308 V309	L265-H305 HydrophobicContact CB-CB 3.93Å; L265-H305 HydrophobicContact CD1-CB 3.88Å; L265-H305 HydrophobicContact CG-CB 4.39Å; I269-H305 HydrophobicContact CD1-CB 4.11Å; T301-H305 VanDerWaalsContact O-CB 3.3Å; T301-H305 WeakPolarHBondContact O-CB 3.26Å; T301-H305 PolarHBondContact O-N 2.59Å; T301-H305 PolarHBondContact O-ND1 2.84Å; F303-H305 VanDerWaalsContact C-N 3.27Å; F303-H305 PolarHBondContact O-N 2.82Å; H305-F307 VanDerWaalsContact C-N 3.34Å; H305-F307 PolarHBondContact O-N 3.02Å; H305-K308 WeakPolarHBondContact O-CB 3.5Å; H305-K308 PolarHBondContact O-N 2.9Å; H305-K308 VanDerWaalsContact O-N 3.1Å; H305-V309 PolarHBondContact O-N 2.86Å
306	S	98.4	Very high	97.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.4	-46.2	174.4	-63.2	0	0	0	0	111.2	L202 I302 F303 K308 V309 L310	L202-S306 WeakPolarHBondContact CD1-OG 3.27Å; I302-S306 WeakPolarHBondContact O-CB 3.44Å; I302-S306 PolarHBondContact O-N 3.42Å; I302-S306 PolarHBondContact O-OG 2.99Å; F303-S306 PolarHBondContact O-N 2.82Å; S306-K308 VanDerWaalsContact C-N 3.26Å; S306-K308 PolarHBondContact O-N 2.83Å; S306-V309 CarbonylContact O-C 3.19Å; S306-V309 VanDerWaalsContact O-CG2 3.25Å; S306-V309 WeakPolarHBondContact O-CG2 3.41Å; S306-V309 PolarHBondContact O-N 2.92Å; S306-L310 WeakPolarHBondContact O-CG 3.28Å; S306-L310 PolarHBondContact O-N 2.81Å
307	F	98	Very high	97.5	Very high	14 Å²	14	39.8 Å²	39.8	6%	0.061	20%	0.199	C	C	.	.	H	α-helix	trans	-68.3	-23.5	177.5	-82.4	-85.5	0	0	0	113.2	F303 H305 V309 L310 Y316 L339 V343 V364 F366	F303-F307 VanDerWaalsContact O-CD2 3.29Å; F303-F307 WeakPolarHBondContact O-CD2 3.36Å; F303-F307 PolarHBondContact O-N 2.95Å; H305-F307 VanDerWaalsContact C-N 3.34Å; H305-F307 PolarHBondContact O-N 3.02Å; F307-V309 VanDerWaalsContact C-N 3.35Å; F307-L310 HydrophobicContact CD1-CD1 4.04Å; F307-L310 HydrophobicContact CE1-CD1 4.04Å; F307-L310 HydrophobicContact CG-CD1 4.41Å; F307-L310 HydrophobicContact CZ-CD1 4.4Å; F307-Y316 HydrophobicContact CE2-CG 4.34Å; F307-L339 HydrophobicContact CD2-CD1 3.9Å; F307-L339 HydrophobicContact CE2-CD1 3.84Å; F307-V343 HydrophobicContact CD1-CG1 3.88Å; F307-V343 HydrophobicContact CE1-CB 4.38Å; F307-V343 HydrophobicContact CE1-CG1 3.42Å; F307-V343 VanDerWaalsContact CE1-CG1 3.42Å; F307-V343 HydrophobicContact CE2-CG1 4.23Å; F307-V343 HydrophobicContact CG-CG1 4.47Å; F307-V343 HydrophobicContact CZ-CB 4.36Å; F307-V343 HydrophobicContact CZ-CG1 3.65Å; F307-V364 HydrophobicContact CE1-CG1 4.46Å; F307-V364 HydrophobicContact CE2-CG1 4.15Å; F307-V364 HydrophobicContact CZ-CB 3.92Å; F307-V364 HydrophobicContact CZ-CG1 3.49Å; F307-V364 VanDerWaalsContact CZ-CG1 3.49Å; F307-F366 HydrophobicContact CB-CE1 4.44Å; F307-F366 HydrophobicContact CB-CZ 4.41Å; F307-F366 HydrophobicContact CD1-CD1 4.09Å; F307-F366 AromaticContact CD1-CE1 3.59Å; F307-F366 HydrophobicContact CD1-CE1 3.59Å; F307-F366 HydrophobicContact CD1-CE2 4.23Å; F307-F366 AromaticContact CD1-CZ 3.68Å; F307-F366 HydrophobicContact CD1-CZ 3.68Å; F307-F366 HydrophobicContact CE1-CD1 4.49Å; F307-F366 HydrophobicContact CE1-CE1 4.4Å; F307-F366 HydrophobicContact CG-CE1 4.49Å
308	K	97.9	Very high	97.7	Very high	90 Å²	90	36.2 Å²	36.2	39%	0.391	18%	0.18	S	C	.	.	H	α-helix	trans	-75.6	-20	171.2	-72.8	171.7	-175	168.9	0	113.4	I269 K274 E304 H305 S306	I269-K308 HydrophobicContact CD1-CB 3.72Å; I269-K308 HydrophobicContact CD1-CD 3.87Å; I269-K308 HydrophobicContact CD1-CG 4.46Å; I269-K308 HydrophobicContact CG1-CB 3.77Å; K274-K308 PolarHBondContact NZ-O 3.1Å; E304-K308 WeakPolarHBondContact O-CG 3.33Å; E304-K308 PolarHBondContact O-N 3.12Å; E304-K308 WeakPolarHBondContact OE1-CE 3.38Å; E304-K308 IonicContact OE1-NZ 2.65Å; E304-K308 PolarHBondContact OE1-NZ 2.89Å; H305-K308 WeakPolarHBondContact O-CB 3.5Å; H305-K308 PolarHBondContact O-N 2.9Å; H305-K308 VanDerWaalsContact O-N 3.1Å; S306-K308 VanDerWaalsContact C-N 3.26Å; S306-K308 PolarHBondContact O-N 2.83Å
309	V	98.5	Very high	97.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-104.2	-3.8	175.3	-56.7	0	0	0	0	113.4	L265 F268 I269 K274 F275 V278 H305 S306 F307	L265-V309 HydrophobicContact CD2-CG1 4.17Å; L265-V309 HydrophobicContact CD2-CG2 3.62Å; F268-V309 HydrophobicContact CB-CG1 3.87Å; I269-V309 HydrophobicContact CD1-CG1 4.45Å; I269-V309 HydrophobicContact CG1-CG1 3.56Å; K274-V309 CarbonylContact C-O 3.58Å; K274-V309 WeakPolarHBondContact CA-O 3.4Å; F275-V309 HydrophobicContact CD2-CB 4Å; F275-V309 HydrophobicContact CD2-CG2 4Å; F275-V309 HydrophobicContact CE2-CB 4.3Å; F275-V309 HydrophobicContact CE2-CG2 4.41Å; F275-V309 PolarHBondContact N-O 2.98Å; V278-V309 HydrophobicContact CG2-CG2 3.96Å; H305-V309 PolarHBondContact O-N 2.86Å; S306-V309 CarbonylContact O-C 3.19Å; S306-V309 VanDerWaalsContact O-CG2 3.25Å; S306-V309 WeakPolarHBondContact O-CG2 3.41Å; S306-V309 PolarHBondContact O-N 2.92Å; F307-V309 VanDerWaalsContact C-N 3.35Å
310	L	98.5	Very high	97.7	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	143.7	172.1	-79	173.2	0	0	0	112.5	K274 V278 S306 F307 K315 F366	K274-L310 WeakPolarHBondContact CD-O 3.31Å; K274-L310 PolarHBondContact NZ-O 2.74Å; V278-L310 HydrophobicContact CB-CD2 4.17Å; V278-L310 HydrophobicContact CG2-CD2 3.65Å; V278-L310 HydrophobicContact CG2-CG 3.94Å; S306-L310 WeakPolarHBondContact O-CG 3.28Å; S306-L310 PolarHBondContact O-N 2.81Å; F307-L310 HydrophobicContact CD1-CD1 4.04Å; F307-L310 HydrophobicContact CE1-CD1 4.04Å; F307-L310 HydrophobicContact CG-CD1 4.41Å; F307-L310 HydrophobicContact CZ-CD1 4.4Å; L310-K315 WeakPolarHBondContact CD2-O 3.39Å; L310-F366 HydrophobicContact CB-CE2 4.06Å; L310-F366 HydrophobicContact CB-CZ 4.43Å
311	K	98.3	Very high	97.7	Very high	49 Å²	49	29.6 Å²	29.6	21%	0.213	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	158.8	163	-69.8	175.4	-173.2	175	0	110.1	K274 F275 D276 D313 G314 F366	K274-K311 HydrophobicContact CB-CG 3.77Å; F275-K311 WeakPolarHBondContact O-CG 2.88Å; F275-K311 PolarHBondContact O-N 3.08Å; D276-K311 VanDerWaalsContact OD1-CD 3.3Å; D276-K311 WeakPolarHBondContact OD1-CD 3.36Å; D276-K311 IonicContact OD1-NZ 2.9Å; D276-K311 PolarHBondContact OD1-NZ 2.82Å; D276-K311 IonicContact OD2-NZ 2.75Å; D276-K311 PolarHBondContact OD2-NZ 3.32Å; K311-D313 PolarHBondContact O-N 3.47Å; K311-G314 WeakPolarHBondContact O-CA 3.48Å; K311-G314 PolarHBondContact O-N 2.9Å; K311-F366 WeakPolarHBondContact O-CE2 3.34Å
312	P	96.4	Very high	97.7	Very high	117 Å²	117	27.5 Å²	27.5	76%	0.76	14%	0.14	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-57.8	-29.6	-178.9	-26.6	35.8	0	0	0	115.2	F366	P312-F366 WeakPolarHBondContact O-CD2 3.43Å
313	D	96.7	Very high	97.6	Very high	113 Å²	113	28.7 Å²	28.7	60%	0.604	15%	0.149	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	5.7	174.7	64.6	-29.8	0	0	0	113	K311	K311-D313 PolarHBondContact O-N 3.47Å
314	G	98	Very high	97.5	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	162.3	-178.2	0	0	0	0	0	113.1	D276 K311	D276-G314 CarbonylContact O-C 3.55Å; D276-G314 WeakPolarHBondContact O-CA 3.36Å; K311-G314 WeakPolarHBondContact O-CA 3.48Å; K311-G314 PolarHBondContact O-N 2.9Å
315	K	98.6	Very high	97.4	Very high	47 Å²	47	27.3 Å²	27.3	20%	0.204	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138.6	-174.5	-44.2	-163.2	-178.3	168.4	0	111.9	E192 D276 Y277 V278 L310 L317 Q363 T365	E192-K315 IonicContact OE1-NZ 2.65Å; E192-K315 PolarHBondContact OE1-NZ 3.31Å; E192-K315 WeakPolarHBondContact OE2-CE 3.41Å; E192-K315 IonicContact OE2-NZ 3.61Å; E192-K315 PolarHBondContact OE2-NZ 3.09Å; D276-K315 PolarHBondContact O-N 3.5Å; Y277-K315 WeakPolarHBondContact CA-O 3.16Å; Y277-K315 HydrophobicContact CD1-CB 3.95Å; Y277-K315 HydrophobicContact CD1-CG 4.4Å; Y277-K315 HydrophobicContact CE1-CB 4.02Å; Y277-K315 HydrophobicContact CE1-CD 3.98Å; Y277-K315 HydrophobicContact CE1-CG 4.01Å; V278-K315 PolarHBondContact N-O 2.86Å; L310-K315 WeakPolarHBondContact CD2-O 3.39Å; K315-L317 HydrophobicContact CB-CD1 3.91Å; K315-Q363 HydrophobicContact CD-CG 4.26Å; K315-T365 HydrophobicContact CB-CG2 4.11Å; K315-T365 HydrophobicContact CD-CG2 3.97Å; K315-T365 HydrophobicContact CG-CG2 3.74Å
316	Y	98.6	Very high	97.3	Very high	4 Å²	4	34 Å²	34	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.5	168.4	179.5	-100.3	0	0	0	109.1	V278 G280 I302 F303 F307 T318 V364	V278-Y316 HydrophobicContact CB-CD2 3.98Å; V278-Y316 HydrophobicContact CG1-CD2 3.84Å; V278-Y316 HydrophobicContact CG1-CE2 4.03Å; V278-Y316 CarbonylContact O-C 3.54Å; V278-Y316 VanDerWaalsContact O-CA 3.25Å; V278-Y316 WeakPolarHBondContact O-CA 3.48Å; V278-Y316 WeakPolarHBondContact O-CD2 3.34Å; G280-Y316 WeakPolarHBondContact CA-OH 3.41Å; I302-Y316 HydrophobicContact CG2-CE2 4.49Å; F303-Y316 AromaticContact CD1-CE1 3.88Å; F303-Y316 HydrophobicContact CD1-CE1 3.88Å; F303-Y316 AromaticContact CE1-CE1 3.66Å; F303-Y316 HydrophobicContact CE1-CE1 3.66Å; F307-Y316 HydrophobicContact CE2-CG 4.34Å; Y316-T318 HydrophobicContact CD1-CG2 4.23Å; Y316-T318 HydrophobicContact CE1-CG2 3.55Å; Y316-V364 HydrophobicContact CD1-CB 4.37Å; Y316-V364 HydrophobicContact CD1-CG2 4.09Å; Y316-V364 PolarHBondContact N-O 3.49Å; Y316-V364 PolarHBondContact O-N 3.05Å
317	L	98.7	Very high	97.2	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.5	178.3	-65.8	90.9	0	0	0	109.8	L186 C188 Y277 V278 F279 G280 K315 Y362 Q363	L186-L317 VanDerWaalsContact O-CD2 3.3Å; L186-L317 WeakPolarHBondContact O-CD2 3.26Å; C188-L317 HydrophobicContact CB-CD2 4.33Å; Y277-L317 HydrophobicContact CD1-CD1 3.63Å; Y277-L317 HydrophobicContact CE1-CD1 4.24Å; V278-L317 PolarHBondContact O-N 3.27Å; F279-L317 CarbonylContact C-O 3.55Å; F279-L317 VanDerWaalsContact CA-O 3.27Å; F279-L317 WeakPolarHBondContact CA-O 3.32Å; F279-L317 HydrophobicContact CD1-CB 3.61Å; F279-L317 HydrophobicContact CE1-CB 3.54Å; F279-L317 HydrophobicContact CE1-CD1 4.05Å; F279-L317 HydrophobicContact CE1-CD2 3.91Å; F279-L317 HydrophobicContact CE1-CG 4.03Å; F279-L317 HydrophobicContact CZ-CB 4.44Å; F279-L317 HydrophobicContact CZ-CD1 4.14Å; F279-L317 HydrophobicContact CZ-CD2 4.39Å; G280-L317 PolarHBondContact N-O 2.86Å; K315-L317 HydrophobicContact CB-CD1 3.91Å; L317-Y362 VanDerWaalsContact CA-O 3.3Å; L317-Y362 WeakPolarHBondContact CA-O 3.29Å; L317-Q363 HydrophobicContact CD2-CB 4.47Å; L317-Q363 HydrophobicContact CG-CB 4.33Å; L317-Q363 HydrophobicContact CG-CG 4.36Å
318	T	98.3	Very high	97.1	Very high	8 Å²	8	37 Å²	37	5%	0.049	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	155.8	-176.3	-172.3	0	0	0	0	110.4	L186 G280 Y316 F332 F361 Y362	L186-T318 VanDerWaalsContact CD1-C 3.48Å; G280-T318 WeakPolarHBondContact O-CA 3.07Å; G280-T318 PolarHBondContact O-OG1 2.84Å; Y316-T318 HydrophobicContact CD1-CG2 4.23Å; Y316-T318 HydrophobicContact CE1-CG2 3.55Å; T318-F332 HydrophobicContact CG2-CE1 4.24Å; T318-F332 HydrophobicContact CG2-CZ 3.85Å; T318-F361 WeakPolarHBondContact O-CA 3.48Å; T318-Y362 PolarHBondContact N-O 3.45Å; T318-Y362 PolarHBondContact O-N 2.83Å
319	H	97.1	Very high	97.1	Very high	7 Å²	7	33.3 Å²	33.3	3%	0.032	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	155.6	161.2	59.3	-113.2	0	0	0	110.4	Y182 D281 L282 D284 W359 F361	Y182-H319 HydrophobicContact CE2-CB 4.39Å; Y182-H319 AromaticContact CZ-ND1 3.92Å; Y182-H319 PolarHBondContact OH-ND1 3.06Å; D281-H319 IonicContact OD1-CE1 2.74Å; D281-H319 IonicContact OD1-ND1 2.65Å; L282-H319 PolarHBondContact O-CE1 3.36Å; L282-H319 PolarHBondContact O-NE2 3.3Å; D284-H319 IonicContact OD1-NE2 2.75Å; H319-W359 HydrophobicContact CB-CE3 4.28Å; H319-W359 HydrophobicContact CB-CZ3 4.39Å; H319-F361 HydrophobicContact CB-CD1 4.01Å; H319-F361 HydrophobicContact CB-CE1 4.05Å
320	G	96.1	Very high	97	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-128.5	155.4	0	0	0	0	0	108.8	W359 L360	G320-W359 WeakPolarHBondContact O-CZ3 3.48Å; G320-L360 PolarHBondContact N-O 3.28Å
321	N	95.3	Very high	97	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.011	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-168.8	172.9	-75.8	19.3	0	0	0	110.8	I285 C325 L360	I285-N321 WeakPolarHBondContact CB-OD1 3.34Å; I285-N321 PolarHBondContact N-OD1 3.18Å; I285-N321 PolarHBondContact O-ND2 3.46Å; N321-C325 HydrophobicContact CB-CB 4Å; N321-L360 PolarHBondContact O-N 3.03Å
322	G	96.7	Very high	96.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	141.6	163.6	0	0	0	0	0	112	S132 T324 C325 E358	S132-G322 VanDerWaalsContact OG-CA 3.23Å; S132-G322 WeakPolarHBondContact OG-CA 3.44Å; S132-G322 PolarHBondContact OG-N 2.74Å; G322-T324 PolarHBondContact O-N 3.46Å; G322-C325 VanDerWaalsContact O-CB 3.3Å; G322-C325 WeakPolarHBondContact O-CB 3.42Å; G322-C325 PolarHBondContact O-N 3.5Å; G322-E358 CarbonylContact C-O 3.57Å; G322-E358 WeakPolarHBondContact CA-O 3.38Å
323	S	96.3	Very high	97	Very high	27 Å²	27	35.2 Å²	35.2	19%	0.189	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-9	-172.8	72.7	0	0	0	0	113.7	E358	S323-E358 WeakPolarHBondContact CB-O 3.3Å; S323-E358 VanDerWaalsContact CB-OE1 3.32Å; S323-E358 WeakPolarHBondContact CB-OE1 3.37Å; S323-E358 PolarHBondContact N-O 3.23Å; S323-E358 PolarHBondContact OG-O 3.46Å; S323-E358 PolarHBondContact OG-OE1 3.08Å
324	T	95.7	Very high	97.1	Very high	66 Å²	66	34 Å²	34	41%	0.405	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-22	171.7	56.2	0	0	0	0	113.1	D133 G322 K326	D133-T324 VanDerWaalsContact CG-OG1 3.25Å; D133-T324 WeakPolarHBondContact OD2-CB 3.42Å; D133-T324 PolarHBondContact OD2-OG1 2.81Å; G322-T324 PolarHBondContact O-N 3.46Å; T324-K326 PolarHBondContact O-N 3.27Å
325	C	96	Very high	97	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.014	17%	0.165	C	C	.	.			trans	-74	52.7	-179.8	-65.8	0	0	0	0	113.6	S132 N321 G322 V327 Q328 L329	S132-C325 PolarHBondContact O-SG 2.94Å; S132-C325 PolarHBondContact OG-SG 3.21Å; N321-C325 HydrophobicContact CB-CB 4Å; G322-C325 VanDerWaalsContact O-CB 3.3Å; G322-C325 WeakPolarHBondContact O-CB 3.42Å; G322-C325 PolarHBondContact O-N 3.5Å; C325-V327 VanDerWaalsContact C-N 3.28Å; C325-V327 PolarHBondContact O-N 3.48Å; C325-Q328 HydrophobicContact CB-CB 4.3Å; C325-Q328 PolarHBondContact O-N 3.11Å; C325-L329 HydrophobicContact CB-CG 4.46Å; C325-L329 WeakPolarHBondContact O-CB 3.29Å; C325-L329 VanDerWaalsContact O-CG 3.26Å; C325-L329 WeakPolarHBondContact O-CG 3.47Å; C325-L329 PolarHBondContact O-N 2.99Å
326	K	95.5	Very high	97	Very high	162 Å²	162	32.4 Å²	32.4	70%	0.704	16%	0.155	S	C	*	.	H	α-helix	trans	-57.7	-36.5	-170.3	-66.8	-179.6	-179.2	177.7	0	114	T324 R330	T324-K326 PolarHBondContact O-N 3.27Å; K326-R330 WeakPolarHBondContact O-CB 3.34Å; K326-R330 PolarHBondContact O-N 3.26Å; K326-R330 VanDerWaalsContact O-N 3.16Å
327	V	95.9	Very high	96.9	Very high	54 Å²	54	36.6 Å²	36.6	33%	0.327	18%	0.178	S	C	.	.	H	α-helix	trans	-68.1	-49.7	-179.3	175.4	0	0	0	0	109.7	C325 R330 L331	C325-V327 VanDerWaalsContact C-N 3.28Å; C325-V327 PolarHBondContact O-N 3.48Å; V327-R330 PolarHBondContact O-N 3.27Å; V327-L331 HydrophobicContact CG1-CD1 4.27Å; V327-L331 WeakPolarHBondContact O-CG 3.41Å; V327-L331 PolarHBondContact O-N 3.32Å
328	Q	96.2	Very high	96.8	Very high	23 Å²	23	41.9 Å²	41.9	11%	0.107	21%	0.206	C	C	.	.	H	α-helix	trans	-66.7	-42.1	-177.1	-66.8	71.8	25	0	0	111.7	I285 P286 I287 T288 C325 R330 L331 F332	I285-Q328 HydrophobicContact CG2-CB 3.94Å; P286-Q328 VanDerWaalsContact O-CG 3.27Å; P286-Q328 WeakPolarHBondContact O-CG 3.4Å; I287-Q328 HydrophobicContact CD1-CG 3.99Å; T288-Q328 PolarHBondContact O-NE2 2.85Å; C325-Q328 HydrophobicContact CB-CB 4.3Å; C325-Q328 PolarHBondContact O-N 3.11Å; Q328-R330 VanDerWaalsContact C-N 3.34Å; Q328-R330 PolarHBondContact O-N 2.78Å; Q328-L331 PolarHBondContact O-N 3.09Å; Q328-F332 WeakPolarHBondContact O-CB 3.34Å; Q328-F332 PolarHBondContact O-N 3.36Å
329	L	97.4	Very high	96.7	Very high	13 Å²	13	42.4 Å²	42.4	7%	0.068	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-42.4	175.1	-67.6	174	0	0	0	111.5	I285 C325 F332 E333 L360 Y362	I285-L329 HydrophobicContact CD1-CD2 4.06Å; C325-L329 HydrophobicContact CB-CG 4.46Å; C325-L329 WeakPolarHBondContact O-CB 3.29Å; C325-L329 VanDerWaalsContact O-CG 3.26Å; C325-L329 WeakPolarHBondContact O-CG 3.47Å; C325-L329 PolarHBondContact O-N 2.99Å; L329-F332 WeakPolarHBondContact O-CB 3.25Å; L329-F332 PolarHBondContact O-N 3.12Å; L329-E333 VanDerWaalsContact O-CG 3.31Å; L329-E333 WeakPolarHBondContact O-CG 3.33Å; L329-E333 PolarHBondContact O-N 2.8Å; L329-L360 HydrophobicContact CD1-CB 4.44Å; L329-L360 HydrophobicContact CD1-CD2 3.83Å; L329-L360 HydrophobicContact CD2-CB 4.31Å; L329-L360 HydrophobicContact CD2-CD2 3.96Å; L329-L360 HydrophobicContact CG-CD2 4.35Å; L329-Y362 HydrophobicContact CD2-CE2 4.23Å
330	R	97.4	Very high	96.5	Very high	134 Å²	134	50 Å²	50	51%	0.506	24%	0.237	S	C	.	.	H	α-helix	trans	-63.3	-44.6	173.7	174	-178	52.8	-172	-4.8	111.9	K326 V327 Q328 F332 E333 E334	K326-R330 WeakPolarHBondContact O-CB 3.34Å; K326-R330 PolarHBondContact O-N 3.26Å; K326-R330 VanDerWaalsContact O-N 3.16Å; V327-R330 PolarHBondContact O-N 3.27Å; Q328-R330 VanDerWaalsContact C-N 3.34Å; Q328-R330 PolarHBondContact O-N 2.78Å; R330-F332 VanDerWaalsContact C-N 3.26Å; R330-F332 PolarHBondContact O-N 2.95Å; R330-E333 PolarHBondContact O-N 2.92Å; R330-E334 WeakPolarHBondContact CG-OE1 3.16Å; R330-E334 WeakPolarHBondContact O-CG 3.44Å; R330-E334 PolarHBondContact O-N 3.31Å
331	L	97.5	Very high	96.4	Very high	12 Å²	12	53.2 Å²	53.2	6%	0.063	26%	0.258	C	S	.	.	H	α-helix	trans	-60	-39.5	177	-70.8	177.6	0	0	0	111.5	P291 W296 V327 Q328 E334 Q335	P291-L331 HydrophobicContact CG-CD2 4.39Å; W296-L331 HydrophobicContact CH2-CB 3.73Å; W296-L331 HydrophobicContact CZ2-CB 3.82Å; W296-L331 HydrophobicContact CZ2-CD1 4.28Å; V327-L331 HydrophobicContact CG1-CD1 4.27Å; V327-L331 WeakPolarHBondContact O-CG 3.41Å; V327-L331 PolarHBondContact O-N 3.32Å; Q328-L331 PolarHBondContact O-N 3.09Å; L331-E334 WeakPolarHBondContact O-CB 3.39Å; L331-E334 PolarHBondContact O-N 3.5Å; L331-Q335 WeakPolarHBondContact O-CG 3.44Å; L331-Q335 PolarHBondContact O-N 3.42Å
332	F	97.5	Very high	96.5	Very high	6 Å²	6	60 Å²	60	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-63.9	-44.6	176.2	-174.1	-96.5	0	0	0	112	I285 W296 I299 F303 T318 Q328 L329 R330 E334 Q335 L336 Y362	I285-F332 HydrophobicContact CD1-CB 3.69Å; I285-F332 HydrophobicContact CD1-CD1 4.23Å; I285-F332 HydrophobicContact CD1-CD2 3.47Å; I285-F332 VanDerWaalsContact CD1-CD2 3.47Å; I285-F332 HydrophobicContact CD1-CE2 3.96Å; I285-F332 HydrophobicContact CD1-CG 3.57Å; I285-F332 HydrophobicContact CG1-CB 4.44Å; I285-F332 HydrophobicContact CG1-CD2 3.55Å; I285-F332 HydrophobicContact CG1-CE2 3.88Å; I285-F332 HydrophobicContact CG1-CG 4.18Å; W296-F332 HydrophobicContact CH2-CB 4.18Å; W296-F332 HydrophobicContact CZ3-CB 4.48Å; W296-F332 HydrophobicContact CZ3-CD2 4.43Å; I299-F332 HydrophobicContact CG2-CD2 4.41Å; I299-F332 HydrophobicContact CG2-CE2 4.22Å; F303-F332 HydrophobicContact CE1-CE2 4.22Å; F303-F332 HydrophobicContact CE1-CZ 4.01Å; F303-F332 HydrophobicContact CE2-CE2 4.36Å; F303-F332 HydrophobicContact CZ-CD2 4.12Å; F303-F332 AromaticContact CZ-CE1 3.98Å; F303-F332 HydrophobicContact CZ-CE1 3.98Å; F303-F332 AromaticContact CZ-CE2 3.47Å; F303-F332 HydrophobicContact CZ-CE2 3.47Å; F303-F332 VanDerWaalsContact CZ-CE2 3.47Å; F303-F332 AromaticContact CZ-CZ 3.42Å; F303-F332 HydrophobicContact CZ-CZ 3.42Å; F303-F332 VanDerWaalsContact CZ-CZ 3.42Å; T318-F332 HydrophobicContact CG2-CE1 4.24Å; T318-F332 HydrophobicContact CG2-CZ 3.85Å; Q328-F332 WeakPolarHBondContact O-CB 3.34Å; Q328-F332 PolarHBondContact O-N 3.36Å; L329-F332 WeakPolarHBondContact O-CB 3.25Å; L329-F332 PolarHBondContact O-N 3.12Å; R330-F332 VanDerWaalsContact C-N 3.26Å; R330-F332 PolarHBondContact O-N 2.95Å; F332-E334 VanDerWaalsContact C-N 3.33Å; F332-E334 PolarHBondContact O-N 3.49Å; F332-Q335 WeakPolarHBondContact O-CB 3.28Å; F332-Q335 PolarHBondContact O-N 2.79Å; F332-Q335 VanDerWaalsContact O-N 3.14Å; F332-L336 HydrophobicContact CD1-CD1 4.03Å; F332-L336 HydrophobicContact CD1-CG 4.47Å; F332-L336 HydrophobicContact CE1-CD1 3.94Å; F332-L336 HydrophobicContact CE1-CG 4.45Å; F332-L336 PolarHBondContact O-N 3.34Å; F332-Y362 HydrophobicContact CD1-CD2 4.23Å; F332-Y362 HydrophobicContact CD1-CE1 4.5Å; F332-Y362 AromaticContact CD1-CE2 3.92Å; F332-Y362 HydrophobicContact CD1-CE2 3.92Å; F332-Y362 AromaticContact CE1-CD2 3.71Å; F332-Y362 HydrophobicContact CE1-CD2 3.71Å; F332-Y362 AromaticContact CE1-CE2 3.88Å; F332-Y362 HydrophobicContact CE1-CE2 3.88Å; F332-Y362 HydrophobicContact CE1-CG 4.07Å
333	E	97.9	Very high	96.6	Very high	56 Å²	56	60.8 Å²	60.8	26%	0.262	29%	0.292	S	S	.	.	H	α-helix	trans	-63.4	-37.2	174.1	-70.9	174	-173.5	0	0	112.4	L329 R330 Q335 L336 N337 F345 Y362	L329-E333 VanDerWaalsContact O-CG 3.31Å; L329-E333 WeakPolarHBondContact O-CG 3.33Å; L329-E333 PolarHBondContact O-N 2.8Å; R330-E333 PolarHBondContact O-N 2.92Å; E333-Q335 VanDerWaalsContact C-N 3.35Å; E333-L336 PolarHBondContact O-N 2.94Å; E333-N337 VanDerWaalsContact O-CG 3.3Å; E333-N337 PolarHBondContact O-N 3.29Å; E333-N337 PolarHBondContact O-ND2 2.91Å; E333-F345 HydrophobicContact CB-CE1 4.41Å; E333-F345 HydrophobicContact CB-CE2 4.4Å; E333-F345 HydrophobicContact CB-CZ 3.76Å; E333-F345 HydrophobicContact CG-CE1 4.44Å; E333-F345 HydrophobicContact CG-CE2 3.68Å; E333-F345 HydrophobicContact CG-CZ 3.55Å; E333-Y362 HydrophobicContact CG-CE1 3.73Å; E333-Y362 WeakPolarHBondContact OE1-CE1 3.32Å; E333-Y362 PolarHBondContact OE1-OH 3.27Å
334	E	97.6	Very high	96.6	Very high	89 Å²	89	65.5 Å²	65.5	42%	0.416	31%	0.309	S	S	.	.	H	α-helix	trans	-60.7	-43.3	171.2	-72.9	171.3	-166.4	0	0	111.2	R330 L331 F332 L336 N337 L338	R330-E334 WeakPolarHBondContact CG-OE1 3.16Å; R330-E334 WeakPolarHBondContact O-CG 3.44Å; R330-E334 PolarHBondContact O-N 3.31Å; L331-E334 WeakPolarHBondContact O-CB 3.39Å; L331-E334 PolarHBondContact O-N 3.5Å; F332-E334 VanDerWaalsContact C-N 3.33Å; F332-E334 PolarHBondContact O-N 3.49Å; E334-L336 PolarHBondContact O-N 3.48Å; E334-N337 PolarHBondContact O-N 3.42Å; E334-L338 WeakPolarHBondContact O-CG 3.46Å; E334-L338 PolarHBondContact O-N 2.94Å
335	Q	97.5	Very high	96.7	Very high	14 Å²	14	65 Å²	65	7%	0.065	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-41.1	175.5	-61.5	-42.7	-77.1	0	0	112.2	P291 W296 R300 F303 L331 F332 E333 N337 L338	P291-Q335 HydrophobicContact CB-CG 4.33Å; W296-Q335 HydrophobicContact CE3-CG 3.66Å; W296-Q335 HydrophobicContact CH2-CG 4.41Å; W296-Q335 HydrophobicContact CZ3-CB 4.38Å; W296-Q335 HydrophobicContact CZ3-CG 3.43Å; W296-Q335 VanDerWaalsContact CZ3-CG 3.43Å; R300-Q335 VanDerWaalsContact NH1-OE1 3.12Å; F303-Q335 HydrophobicContact CE2-CB 4.34Å; L331-Q335 WeakPolarHBondContact O-CG 3.44Å; L331-Q335 PolarHBondContact O-N 3.42Å; F332-Q335 WeakPolarHBondContact O-CB 3.28Å; F332-Q335 PolarHBondContact O-N 2.79Å; F332-Q335 VanDerWaalsContact O-N 3.14Å; E333-Q335 VanDerWaalsContact C-N 3.35Å; Q335-N337 VanDerWaalsContact C-N 3.29Å; Q335-N337 PolarHBondContact O-N 3.16Å; Q335-L338 WeakPolarHBondContact O-CB 3.33Å; Q335-L338 PolarHBondContact O-N 2.97Å; Q335-L338 VanDerWaalsContact O-N 3.17Å
336	L	97.4	Very high	96.8	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-58.4	-41.3	173.7	-73.8	174.7	0	0	0	111.7	F303 F332 E333 E334 L338 L339 V343 F345 Y362 V364	F303-L336 HydrophobicContact CD1-CD2 4.44Å; F303-L336 HydrophobicContact CD2-CD2 3.85Å; F303-L336 HydrophobicContact CE1-CD2 4.1Å; F303-L336 HydrophobicContact CE2-CD2 3.45Å; F303-L336 VanDerWaalsContact CE2-CD2 3.45Å; F303-L336 HydrophobicContact CE2-CG 3.82Å; F303-L336 HydrophobicContact CG-CD2 4.32Å; F303-L336 HydrophobicContact CZ-CD2 3.57Å; F303-L336 HydrophobicContact CZ-CG 4.06Å; F332-L336 HydrophobicContact CD1-CD1 4.03Å; F332-L336 HydrophobicContact CD1-CG 4.47Å; F332-L336 HydrophobicContact CE1-CD1 3.94Å; F332-L336 HydrophobicContact CE1-CG 4.45Å; F332-L336 PolarHBondContact O-N 3.34Å; E333-L336 PolarHBondContact O-N 2.94Å; E334-L336 PolarHBondContact O-N 3.48Å; L336-L338 PolarHBondContact O-N 3.38Å; L336-L339 HydrophobicContact CD2-CD1 4.04Å; L336-L339 WeakPolarHBondContact O-CB 3.4Å; L336-L339 WeakPolarHBondContact O-CG 3.42Å; L336-L339 PolarHBondContact O-N 3.5Å; L336-L339 VanDerWaalsContact O-N 3.16Å; L336-V343 VanDerWaalsContact O-CG2 3.3Å; L336-V343 WeakPolarHBondContact O-CG2 3.28Å; L336-F345 HydrophobicContact CB-CD1 4.22Å; L336-F345 HydrophobicContact CB-CE1 4.24Å; L336-F345 HydrophobicContact CD1-CD1 3.86Å; L336-F345 HydrophobicContact CD1-CE1 4.25Å; L336-F345 HydrophobicContact CD1-CG 4.14Å; L336-Y362 HydrophobicContact CD1-CD1 4.25Å; L336-V364 HydrophobicContact CD1-CG2 4.12Å; L336-V364 HydrophobicContact CD2-CG1 4.19Å; L336-V364 HydrophobicContact CD2-CG2 4.08Å
337	N	97.1	Very high	96.9	Very high	93 Å²	93	64.1 Å²	64.1	50%	0.497	31%	0.309	S	S	.	.	H	α-helix	trans	-68	-19.2	179.6	-73.6	-44.7	0	0	0	114	E333 E334 Q335 L339 R340	E333-N337 VanDerWaalsContact O-CG 3.3Å; E333-N337 PolarHBondContact O-N 3.29Å; E333-N337 PolarHBondContact O-ND2 2.91Å; E334-N337 PolarHBondContact O-N 3.42Å; Q335-N337 VanDerWaalsContact C-N 3.29Å; Q335-N337 PolarHBondContact O-N 3.16Å; N337-L339 VanDerWaalsContact C-N 3.33Å; N337-R340 PolarHBondContact O-NH1 3.4Å
338	L	96.4	Very high	97	Very high	111 Å²	111	64.8 Å²	64.8	58%	0.581	31%	0.314	S	S	*	.	H	α-helix	trans	-77.4	-18.1	174.9	-65.5	176.5	0	0	0	113.1	E334 Q335 L336 R340	E334-L338 WeakPolarHBondContact O-CG 3.46Å; E334-L338 PolarHBondContact O-N 2.94Å; Q335-L338 WeakPolarHBondContact O-CB 3.33Å; Q335-L338 PolarHBondContact O-N 2.97Å; Q335-L338 VanDerWaalsContact O-N 3.17Å; L336-L338 PolarHBondContact O-N 3.38Å; L338-R340 PolarHBondContact O-NH1 3.46Å
339	L	96	Very high	97.1	Very high	20 Å²	20	68.1 Å²	68.1	11%	0.105	33%	0.328	C	S	.	.			trans	-60.2	145.3	-177.3	-67.3	172.2	0	0	0	113.3	F303 F307 L336 N337 P341 V343	F303-L339 HydrophobicContact CB-CD1 3.92Å; F303-L339 HydrophobicContact CB-CD2 3.69Å; F303-L339 HydrophobicContact CB-CG 4.35Å; F303-L339 HydrophobicContact CD2-CD1 4.26Å; F303-L339 HydrophobicContact CG-CD1 4.3Å; F307-L339 HydrophobicContact CD2-CD1 3.9Å; F307-L339 HydrophobicContact CE2-CD1 3.84Å; L336-L339 HydrophobicContact CD2-CD1 4.04Å; L336-L339 WeakPolarHBondContact O-CB 3.4Å; L336-L339 WeakPolarHBondContact O-CG 3.42Å; L336-L339 PolarHBondContact O-N 3.5Å; L336-L339 VanDerWaalsContact O-N 3.16Å; N337-L339 VanDerWaalsContact C-N 3.33Å; L339-P341 CarbonylContact C-O 3.52Å; L339-P341 CarbonylContact O-C 3.55Å; L339-V343 HydrophobicContact CB-CG1 4.21Å; L339-V343 HydrophobicContact CB-CG2 4.37Å; L339-V343 HydrophobicContact CD1-CG1 4.18Å; L339-V343 HydrophobicContact CD1-CG2 4.14Å
340	R	94	Very high	97.1	Very high	165 Å²	165	67.6 Å²	67.6	62%	0.623	33%	0.326	S	S	*	.	S	Bend	trans	-130.8	125	175.7	-60.9	-62.9	178	-96.3	-3.7	108.9	N337 L338	N337-R340 PolarHBondContact O-NH1 3.4Å; L338-R340 PolarHBondContact O-NH1 3.46Å
341	P	93.7	Very high	97.2	Very high	68 Å²	68	67 Å²	67	44%	0.442	33%	0.327	S	S	.	.	S	Bend	cis	-58	158.5	-2	-19.4	31.2	0	0	0	113.5	L339 F366	L339-P341 CarbonylContact C-O 3.52Å; L339-P341 CarbonylContact O-C 3.55Å; P341-F366 HydrophobicContact CB-CD1 4.17Å; P341-F366 HydrophobicContact CB-CE1 4.39Å; P341-F366 HydrophobicContact CG-CD1 4.35Å; P341-F366 HydrophobicContact CG-CE1 4.11Å
342	K	96.9	Very high	97.2	Very high	145 Å²	145	66.4 Å²	66.4	63%	0.63	32%	0.324	S	S	*	.			trans	-58.8	142.8	178.6	-77.1	-168.7	176.1	-173.5	0	110.4	A367	K342-A367 HydrophobicContact CB-CB 4.04Å; K342-A367 WeakPolarHBondContact O-CB 3.15Å; K342-A367 PolarHBondContact O-N 3.46Å
343	V	97.9	Very high	97.3	Very high	16 Å²	16	67.9 Å²	67.9	10%	0.097	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	166.2	177.2	-57.7	0	0	0	0	110.6	F307 L336 L339 V364 T365	F307-V343 HydrophobicContact CD1-CG1 3.88Å; F307-V343 HydrophobicContact CE1-CB 4.38Å; F307-V343 HydrophobicContact CE1-CG1 3.42Å; F307-V343 VanDerWaalsContact CE1-CG1 3.42Å; F307-V343 HydrophobicContact CE2-CG1 4.23Å; F307-V343 HydrophobicContact CG-CG1 4.47Å; F307-V343 HydrophobicContact CZ-CB 4.36Å; F307-V343 HydrophobicContact CZ-CG1 3.65Å; L336-V343 VanDerWaalsContact O-CG2 3.3Å; L336-V343 WeakPolarHBondContact O-CG2 3.28Å; L339-V343 HydrophobicContact CB-CG1 4.21Å; L339-V343 HydrophobicContact CB-CG2 4.37Å; L339-V343 HydrophobicContact CD1-CG1 4.18Å; L339-V343 HydrophobicContact CD1-CG2 4.14Å; V343-V364 HydrophobicContact CB-CG1 3.79Å; V343-V364 HydrophobicContact CG1-CG1 4.37Å; V343-V364 HydrophobicContact CG2-CG1 3.8Å; V343-T365 CarbonylContact C-O 3.47Å; V343-T365 WeakPolarHBondContact CA-O 3.44Å; V343-T365 VanDerWaalsContact CB-O 3.32Å; V343-T365 WeakPolarHBondContact CB-O 3.32Å
344	K	97.8	Very high	97.3	Very high	127 Å²	127	65.2 Å²	65.2	55%	0.552	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.9	154.4	164.7	64.3	176.9	-178.9	171.6	0	108.4	V364 T365	K344-V364 CarbonylContact O-C 3.53Å; K344-V364 WeakPolarHBondContact O-CA 3.22Å; K344-T365 WeakPolarHBondContact CE-OG1 3.42Å; K344-T365 VanDerWaalsContact CG-OG1 3.29Å; K344-T365 WeakPolarHBondContact CG-OG1 3.43Å; K344-T365 PolarHBondContact N-O 3.2Å; K344-T365 PolarHBondContact O-N 2.89Å
345	F	98	Very high	97.3	Very high	55 Å²	55	61.3 Å²	61.3	24%	0.241	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	153.6	178.2	56.9	-93.1	0	0	0	112.2	E333 L336 T347 Y362 Q363 V364	E333-F345 HydrophobicContact CB-CE1 4.41Å; E333-F345 HydrophobicContact CB-CE2 4.4Å; E333-F345 HydrophobicContact CB-CZ 3.76Å; E333-F345 HydrophobicContact CG-CE1 4.44Å; E333-F345 HydrophobicContact CG-CE2 3.68Å; E333-F345 HydrophobicContact CG-CZ 3.55Å; L336-F345 HydrophobicContact CB-CD1 4.22Å; L336-F345 HydrophobicContact CB-CE1 4.24Å; L336-F345 HydrophobicContact CD1-CD1 3.86Å; L336-F345 HydrophobicContact CD1-CE1 4.25Å; L336-F345 HydrophobicContact CD1-CG 4.14Å; F345-T347 HydrophobicContact CD2-CG2 4.5Å; F345-Y362 HydrophobicContact CB-CD1 4.47Å; F345-Y362 AromaticContact CD2-CD1 3.79Å; F345-Y362 HydrophobicContact CD2-CD1 3.79Å; F345-Y362 AromaticContact CD2-CE1 3.9Å; F345-Y362 HydrophobicContact CD2-CE1 3.9Å; F345-Y362 HydrophobicContact CE2-CD1 4.38Å; F345-Y362 HydrophobicContact CE2-CE1 4.02Å; F345-Y362 HydrophobicContact CG-CD1 4.3Å; F345-Q363 CarbonylContact C-O 3.6Å; F345-Q363 WeakPolarHBondContact CA-O 3.27Å; F345-V364 HydrophobicContact CB-CB 4.28Å; F345-V364 HydrophobicContact CB-CG1 4.19Å; F345-V364 HydrophobicContact CB-CG2 3.91Å
346	T	97.9	Very high	97.3	Very high	80 Å²	80	64.2 Å²	64.2	49%	0.491	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	152.2	169.6	55.5	0	0	0	0	108.7	Q363	T346-Q363 PolarHBondContact N-O 2.96Å; T346-Q363 PolarHBondContact O-N 3.39Å
347	T	98	Very high	97.2	Very high	65 Å²	65	64.6 Å²	64.6	40%	0.399	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.3	-179.5	58.5	0	0	0	0	112.6	F345 L360 F361 Y362	F345-T347 HydrophobicContact CD2-CG2 4.5Å; T347-L360 HydrophobicContact CG2-CD1 4.08Å; T347-L360 HydrophobicContact CG2-CD2 4.14Å; T347-L360 HydrophobicContact CG2-CG 4.15Å; T347-F361 CarbonylContact C-O 3.46Å; T347-F361 WeakPolarHBondContact CA-O 3.45Å; T347-Y362 HydrophobicContact CG2-CD1 3.56Å; T347-Y362 HydrophobicContact CG2-CE1 3.4Å; T347-Y362 VanDerWaalsContact CG2-CE1 3.4Å; T347-Y362 HydrophobicContact CG2-CG 4.28Å
348	T	97.6	Very high	97.3	Very high	68 Å²	68	64 Å²	64	42%	0.417	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	157.7	166.9	-58.3	0	0	0	0	109.3	T185 F361	T185-T348 HydrophobicContact CG2-CG2 3.76Å; T348-F361 PolarHBondContact N-O 3.44Å; T348-F361 PolarHBondContact O-N 3.03Å
349	K	97.8	Very high	97.4	Very high	94 Å²	94	59 Å²	59	41%	0.409	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148.6	177.8	-59.8	-167	-167.7	179.9	0	112.1	E358 W359 L360	K349-E358 HydrophobicContact CB-CG 3.86Å; K349-E358 VanDerWaalsContact CD-CD 3.41Å; K349-E358 HydrophobicContact CD-CG 4.05Å; K349-E358 WeakPolarHBondContact CD-OE1 3.23Å; K349-E358 IonicContact NZ-OE1 3.19Å; K349-E358 PolarHBondContact NZ-OE1 2.87Å; K349-W359 VanDerWaalsContact CA-O 3.23Å; K349-W359 WeakPolarHBondContact CA-O 3.3Å; K349-L360 HydrophobicContact CD-CD1 3.96Å; K349-L360 HydrophobicContact CG-CD1 3.39Å
350	A	98	Very high	97.5	Very high	2 Å²	2	58.6 Å²	58.6	2%	0.017	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	147	169.2	0	0	0	0	0	111.2	I181 T185 V352 E358 W359 F361	I181-A350 HydrophobicContact CG1-CB 3.94Å; T185-A350 HydrophobicContact CG2-CB 3.89Å; T185-A350 VanDerWaalsContact OG1-CB 3.26Å; T185-A350 WeakPolarHBondContact OG1-CB 3.21Å; A350-V352 PolarHBondContact O-N 2.95Å; A350-E358 CarbonylContact O-C 3.52Å; A350-E358 WeakPolarHBondContact O-CA 3.21Å; A350-W359 PolarHBondContact N-O 3.28Å; A350-W359 VanDerWaalsContact N-O 3.14Å; A350-W359 PolarHBondContact O-N 2.94Å; A350-F361 HydrophobicContact CB-CE2 4.32Å
351	F	98.5	Very high	97.7	Very high	121 Å²	121	51 Å²	51	53%	0.531	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	121.5	167.8	-178.2	-95.6	0	0	0	109.6	I181 M356 E357	I181-F351 WeakPolarHBondContact CG2-O 3.36Å; F351-M356 VanDerWaalsContact CE2-C 3.42Å; F351-E357 WeakPolarHBondContact CA-O 3.16Å
352	V	98.4	Very high	97.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112.9	179.1	-176.7	0	0	0	0	107.9	D179 Y182 A350 S354 F355 M356 E357 W359 F361	D179-V352 HydrophobicContact CB-CG1 4.11Å; D179-V352 WeakPolarHBondContact OD1-CG1 3.43Å; Y182-V352 HydrophobicContact CD2-CG1 4.32Å; Y182-V352 HydrophobicContact CD2-CG2 3.87Å; A350-V352 PolarHBondContact O-N 2.95Å; V352-S354 PolarHBondContact O-N 3.39Å; V352-F355 HydrophobicContact CB-CB 4.01Å; V352-F355 HydrophobicContact CB-CD2 3.65Å; V352-F355 HydrophobicContact CB-CE2 4.42Å; V352-F355 HydrophobicContact CB-CG 3.91Å; V352-F355 HydrophobicContact CG1-CB 4.16Å; V352-F355 HydrophobicContact CG1-CD1 4.08Å; V352-F355 HydrophobicContact CG1-CD2 3.53Å; V352-F355 HydrophobicContact CG1-CE1 4.41Å; V352-F355 HydrophobicContact CG1-CE2 3.97Å; V352-F355 HydrophobicContact CG1-CG 3.64Å; V352-F355 HydrophobicContact CG1-CZ 4.39Å; V352-F355 HydrophobicContact CG2-CD2 3.99Å; V352-F355 HydrophobicContact CG2-CE2 4.48Å; V352-F355 PolarHBondContact O-N 3.33Å; V352-F355 VanDerWaalsContact O-N 3.13Å; V352-M356 PolarHBondContact O-N 3.35Å; V352-E357 PolarHBondContact N-O 3.5Å; V352-W359 HydrophobicContact CG2-CB 4.04Å; V352-W359 HydrophobicContact CG2-CG 4.26Å; V352-F361 HydrophobicContact CG2-CZ 4.44Å
353	P	98.4	Very high	98	Very high	37 Å²	37	42.3 Å²	42.3	24%	0.24	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-51.9	-48.1	-173.8	-31	35.8	0	0	0	114.7	L163 D179 I181 F355 M356	L163-P353 HydrophobicContact CD2-CB 3.66Å; D179-P353 VanDerWaalsContact OD1-CD 3.23Å; D179-P353 WeakPolarHBondContact OD1-CD 3.25Å; I181-P353 HydrophobicContact CG2-CG 4.46Å; P353-F355 VanDerWaalsContact C-N 3.3Å; P353-F355 PolarHBondContact O-N 3.44Å; P353-M356 PolarHBondContact O-N 2.7Å
354	S	98	Very high	98	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-73.4	-23.2	-177.6	81.3	0	0	0	0	113.7	Y139 D179 V352 M356	Y139-S354 WeakPolarHBondContact CE1-O 3.41Å; Y139-S354 VanDerWaalsContact CZ-O 3.3Å; Y139-S354 PolarHBondContact OH-O 3.43Å; D179-S354 PolarHBondContact OD1-N 2.64Å; D179-S354 WeakPolarHBondContact OD2-CB 3.23Å; D179-S354 PolarHBondContact OD2-OG 2.9Å; V352-S354 PolarHBondContact O-N 3.39Å; S354-M356 VanDerWaalsContact C-N 3.28Å
355	F	97.4	Very high	98	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.026	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-83	-15.1	175.3	-57.5	-10.2	0	0	0	111.2	Q173 N174 Y182 V352 P353 E357 W359	Q173-F355 HydrophobicContact CB-CD1 4.43Å; Q173-F355 HydrophobicContact CG-CD1 3.61Å; Q173-F355 HydrophobicContact CG-CE1 4.06Å; N174-F355 VanDerWaalsContact O-CE1 3.29Å; N174-F355 WeakPolarHBondContact O-CE1 3.41Å; N174-F355 WeakPolarHBondContact O-CZ 3.47Å; Y182-F355 AromaticContact CD2-CE2 3.84Å; Y182-F355 HydrophobicContact CD2-CE2 3.84Å; Y182-F355 HydrophobicContact CD2-CZ 4.38Å; Y182-F355 AromaticContact CE2-CE2 3.77Å; Y182-F355 HydrophobicContact CE2-CE2 3.77Å; Y182-F355 HydrophobicContact CE2-CZ 4.26Å; V352-F355 HydrophobicContact CB-CB 4.01Å; V352-F355 HydrophobicContact CB-CD2 3.65Å; V352-F355 HydrophobicContact CB-CE2 4.42Å; V352-F355 HydrophobicContact CB-CG 3.91Å; V352-F355 HydrophobicContact CG1-CB 4.16Å; V352-F355 HydrophobicContact CG1-CD1 4.08Å; V352-F355 HydrophobicContact CG1-CD2 3.53Å; V352-F355 HydrophobicContact CG1-CE1 4.41Å; V352-F355 HydrophobicContact CG1-CE2 3.97Å; V352-F355 HydrophobicContact CG1-CG 3.64Å; V352-F355 HydrophobicContact CG1-CZ 4.39Å; V352-F355 HydrophobicContact CG2-CD2 3.99Å; V352-F355 HydrophobicContact CG2-CE2 4.48Å; V352-F355 PolarHBondContact O-N 3.33Å; V352-F355 VanDerWaalsContact O-N 3.13Å; P353-F355 VanDerWaalsContact C-N 3.3Å; P353-F355 PolarHBondContact O-N 3.44Å; F355-E357 HydrophobicContact CB-CB 4.41Å; F355-E357 WeakPolarHBondContact O-CG 3.4Å; F355-E357 PolarHBondContact O-N 2.92Å; F355-W359 AromaticContact CD2-CD1 3.71Å; F355-W359 AromaticContact CD2-CD2 3.5Å; F355-W359 HydrophobicContact CD2-CD2 3.5Å; F355-W359 VanDerWaalsContact CD2-CD2 3.5Å; F355-W359 AromaticContact CD2-CE2 3.14Å; F355-W359 HydrophobicContact CD2-CE3 4.13Å; F355-W359 AromaticContact CD2-CG 3.85Å; F355-W359 HydrophobicContact CD2-CG 3.85Å; F355-W359 HydrophobicContact CD2-CH2 4.07Å; F355-W359 AromaticContact CD2-CZ2 3.47Å; F355-W359 HydrophobicContact CD2-CZ2 3.47Å; F355-W359 VanDerWaalsContact CD2-CZ2 3.47Å; F355-W359 HydrophobicContact CD2-CZ3 4.38Å; F355-W359 AromaticContact CD2-NE1 3.33Å; F355-W359 VanDerWaalsContact CD2-NE1 3.33Å; F355-W359 AromaticContact CE2-CD2 3.73Å; F355-W359 HydrophobicContact CE2-CD2 3.73Å; F355-W359 AromaticContact CE2-CE2 3.62Å; F355-W359 AromaticContact CE2-CE3 3.85Å; F355-W359 HydrophobicContact CE2-CE3 3.85Å; F355-W359 HydrophobicContact CE2-CG 4.41Å; F355-W359 AromaticContact CE2-CH2 3.71Å; F355-W359 HydrophobicContact CE2-CH2 3.71Å; F355-W359 AromaticContact CE2-CZ2 3.61Å; F355-W359 HydrophobicContact CE2-CZ2 3.61Å; F355-W359 AromaticContact CE2-CZ3 3.84Å; F355-W359 HydrophobicContact CE2-CZ3 3.84Å; F355-W359 HydrophobicContact CG-CZ2 4.17Å; F355-W359 AromaticContact CG-NE1 3.9Å; F355-W359 HydrophobicContact CZ-CH2 4.41Å; F355-W359 HydrophobicContact CZ-CZ2 4.46Å
356	M	97.3	Very high	98	Very high	75 Å²	75	36.3 Å²	36.3	37%	0.369	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	32	-171.7	-56.3	-161.6	-174.7	0	0	112.8	I137 Y139 F351 V352 P353 S354	I137-M356 HydrophobicContact CD1-CB 4.31Å; I137-M356 HydrophobicContact CG2-CE 4.01Å; I137-M356 HydrophobicContact CG2-CG 4.14Å; I137-M356 HydrophobicContact CG2-SD 3.43Å; I137-M356 WeakPolarHBondContact CG2-SD 3.43Å; Y139-M356 HydrophobicContact CD1-CE 3.79Å; Y139-M356 HydrophobicContact CE1-CE 3.89Å; Y139-M356 HydrophobicContact CG-CE 4.36Å; F351-M356 VanDerWaalsContact CE2-C 3.42Å; V352-M356 PolarHBondContact O-N 3.35Å; P353-M356 PolarHBondContact O-N 2.7Å; S354-M356 VanDerWaalsContact C-N 3.28Å
357	E	97.1	Very high	97.9	Very high	8 Å²	8	34 Å²	34	4%	0.037	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	152.8	-172.9	-72.5	-169.8	115.5	0	0	112.1	S131 S132 R135 F351 V352 F355	S131-E357 VanDerWaalsContact CB-CD 3.5Å; S131-E357 WeakPolarHBondContact CB-OE1 3.4Å; S132-E357 WeakPolarHBondContact CB-OE2 3.41Å; S132-E357 PolarHBondContact N-OE2 3.16Å; S132-E357 PolarHBondContact OG-OE1 2.75Å; S132-E357 PolarHBondContact OG-OE2 2.86Å; R135-E357 IonicContact CZ-OE1 3.75Å; R135-E357 IonicContact NH2-OE1 3.51Å; R135-E357 PolarHBondContact NH2-OE1 3.02Å; F351-E357 WeakPolarHBondContact CA-O 3.16Å; V352-E357 PolarHBondContact N-O 3.5Å; F355-E357 HydrophobicContact CB-CB 4.41Å; F355-E357 WeakPolarHBondContact O-CG 3.4Å; F355-E357 PolarHBondContact O-N 2.92Å
358	E	97.9	Very high	97.2	Very high	82 Å²	82	35.6 Å²	35.6	38%	0.383	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	121.3	163.4	-178.9	-172.2	75.4	0	0	108.8	G322 S323 K349 A350	G322-E358 CarbonylContact C-O 3.57Å; G322-E358 WeakPolarHBondContact CA-O 3.38Å; S323-E358 WeakPolarHBondContact CB-O 3.3Å; S323-E358 VanDerWaalsContact CB-OE1 3.32Å; S323-E358 WeakPolarHBondContact CB-OE1 3.37Å; S323-E358 PolarHBondContact N-O 3.23Å; S323-E358 PolarHBondContact OG-O 3.46Å; S323-E358 PolarHBondContact OG-OE1 3.08Å; K349-E358 HydrophobicContact CB-CG 3.86Å; K349-E358 VanDerWaalsContact CD-CD 3.41Å; K349-E358 HydrophobicContact CD-CG 4.05Å; K349-E358 WeakPolarHBondContact CD-OE1 3.23Å; K349-E358 IonicContact NZ-OE1 3.19Å; K349-E358 PolarHBondContact NZ-OE1 2.87Å; A350-E358 CarbonylContact O-C 3.52Å; A350-E358 WeakPolarHBondContact O-CA 3.21Å
359	W	98.1	Very high	95.7	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.019	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	147	179	-86.1	50.6	0	0	0	111.9	Y182 D284 H319 G320 K349 A350 V352 F355 F361	Y182-W359 HydrophobicContact CE2-CE3 4.33Å; D284-W359 WeakPolarHBondContact OD1-CH2 3.38Å; H319-W359 HydrophobicContact CB-CE3 4.28Å; H319-W359 HydrophobicContact CB-CZ3 4.39Å; G320-W359 WeakPolarHBondContact O-CZ3 3.48Å; K349-W359 VanDerWaalsContact CA-O 3.23Å; K349-W359 WeakPolarHBondContact CA-O 3.3Å; A350-W359 PolarHBondContact N-O 3.28Å; A350-W359 VanDerWaalsContact N-O 3.14Å; A350-W359 PolarHBondContact O-N 2.94Å; V352-W359 HydrophobicContact CG2-CB 4.04Å; V352-W359 HydrophobicContact CG2-CG 4.26Å; F355-W359 AromaticContact CD2-CD1 3.71Å; F355-W359 AromaticContact CD2-CD2 3.5Å; F355-W359 HydrophobicContact CD2-CD2 3.5Å; F355-W359 VanDerWaalsContact CD2-CD2 3.5Å; F355-W359 AromaticContact CD2-CE2 3.14Å; F355-W359 HydrophobicContact CD2-CE3 4.13Å; F355-W359 AromaticContact CD2-CG 3.85Å; F355-W359 HydrophobicContact CD2-CG 3.85Å; F355-W359 HydrophobicContact CD2-CH2 4.07Å; F355-W359 AromaticContact CD2-CZ2 3.47Å; F355-W359 HydrophobicContact CD2-CZ2 3.47Å; F355-W359 VanDerWaalsContact CD2-CZ2 3.47Å; F355-W359 HydrophobicContact CD2-CZ3 4.38Å; F355-W359 AromaticContact CD2-NE1 3.33Å; F355-W359 VanDerWaalsContact CD2-NE1 3.33Å; F355-W359 AromaticContact CE2-CD2 3.73Å; F355-W359 HydrophobicContact CE2-CD2 3.73Å; F355-W359 AromaticContact CE2-CE2 3.62Å; F355-W359 AromaticContact CE2-CE3 3.85Å; F355-W359 HydrophobicContact CE2-CE3 3.85Å; F355-W359 HydrophobicContact CE2-CG 4.41Å; F355-W359 AromaticContact CE2-CH2 3.71Å; F355-W359 HydrophobicContact CE2-CH2 3.71Å; F355-W359 AromaticContact CE2-CZ2 3.61Å; F355-W359 HydrophobicContact CE2-CZ2 3.61Å; F355-W359 AromaticContact CE2-CZ3 3.84Å; F355-W359 HydrophobicContact CE2-CZ3 3.84Å; F355-W359 HydrophobicContact CG-CZ2 4.17Å; F355-W359 AromaticContact CG-NE1 3.9Å; F355-W359 HydrophobicContact CZ-CH2 4.41Å; F355-W359 HydrophobicContact CZ-CZ2 4.46Å; W359-F361 HydrophobicContact CB-CE2 3.91Å; W359-F361 HydrophobicContact CB-CZ 4.11Å; W359-F361 WeakPolarHBondContact O-CE2 3.16Å
360	L	98.1	Very high	93.5	Very high	11 Å²	11	40.2 Å²	40.2	6%	0.058	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	135.8	177.4	-166.3	66	0	0	0	109.9	G320 N321 L329 T347 K349 Y362	G320-L360 PolarHBondContact N-O 3.28Å; N321-L360 PolarHBondContact O-N 3.03Å; L329-L360 HydrophobicContact CD1-CB 4.44Å; L329-L360 HydrophobicContact CD1-CD2 3.83Å; L329-L360 HydrophobicContact CD2-CB 4.31Å; L329-L360 HydrophobicContact CD2-CD2 3.96Å; L329-L360 HydrophobicContact CG-CD2 4.35Å; T347-L360 HydrophobicContact CG2-CD1 4.08Å; T347-L360 HydrophobicContact CG2-CD2 4.14Å; T347-L360 HydrophobicContact CG2-CG 4.15Å; K349-L360 HydrophobicContact CD-CD1 3.96Å; K349-L360 HydrophobicContact CG-CD1 3.39Å; L360-Y362 HydrophobicContact CD2-CE1 4.45Å; L360-Y362 HydrophobicContact CD2-CE2 3.84Å; L360-Y362 WeakPolarHBondContact CD2-OH 3.45Å; L360-Y362 HydrophobicContact CG-CE2 4.04Å
361	F	98.6	Very high	90.7	Very high	5 Å²	5	48.5 Å²	48.5	2%	0.022	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	141	177.8	-59.2	-94.8	0	0	0	109.2	Y182 T185 L186 T318 H319 T347 T348 A350 V352 W359	Y182-F361 AromaticContact CD2-CE1 3.76Å; Y182-F361 HydrophobicContact CD2-CE1 3.76Å; Y182-F361 AromaticContact CD2-CZ 3.6Å; Y182-F361 HydrophobicContact CD2-CZ 3.6Å; Y182-F361 AromaticContact CE2-CE1 3.69Å; Y182-F361 HydrophobicContact CE2-CE1 3.69Å; Y182-F361 AromaticContact CE2-CZ 3.92Å; Y182-F361 HydrophobicContact CE2-CZ 3.92Å; Y182-F361 HydrophobicContact CG-CE1 4.29Å; Y182-F361 HydrophobicContact CG-CZ 4.22Å; T185-F361 HydrophobicContact CG2-CB 4.47Å; T185-F361 HydrophobicContact CG2-CD2 3.4Å; T185-F361 VanDerWaalsContact CG2-CD2 3.4Å; T185-F361 HydrophobicContact CG2-CE2 3.7Å; T185-F361 HydrophobicContact CG2-CG 3.95Å; T185-F361 HydrophobicContact CG2-CZ 4.45Å; L186-F361 HydrophobicContact CB-CD1 3.84Å; L186-F361 HydrophobicContact CB-CE1 3.93Å; L186-F361 HydrophobicContact CD1-CD1 4.05Å; T318-F361 WeakPolarHBondContact O-CA 3.48Å; H319-F361 HydrophobicContact CB-CD1 4.01Å; H319-F361 HydrophobicContact CB-CE1 4.05Å; T347-F361 CarbonylContact C-O 3.46Å; T347-F361 WeakPolarHBondContact CA-O 3.45Å; T348-F361 PolarHBondContact N-O 3.44Å; T348-F361 PolarHBondContact O-N 3.03Å; A350-F361 HydrophobicContact CB-CE2 4.32Å; V352-F361 HydrophobicContact CG2-CZ 4.44Å; W359-F361 HydrophobicContact CB-CE2 3.91Å; W359-F361 HydrophobicContact CB-CZ 4.11Å; W359-F361 WeakPolarHBondContact O-CE2 3.16Å
362	Y	98.5	Very high	88	Confident	4 Å²	4	49 Å²	49	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	136.4	-177.5	-69.3	-94.2	0	0	0	110.5	L317 T318 L329 F332 E333 L336 F345 T347 L360	L317-Y362 VanDerWaalsContact CA-O 3.3Å; L317-Y362 WeakPolarHBondContact CA-O 3.29Å; T318-Y362 PolarHBondContact N-O 3.45Å; T318-Y362 PolarHBondContact O-N 2.83Å; L329-Y362 HydrophobicContact CD2-CE2 4.23Å; F332-Y362 HydrophobicContact CD1-CD2 4.23Å; F332-Y362 HydrophobicContact CD1-CE1 4.5Å; F332-Y362 AromaticContact CD1-CE2 3.92Å; F332-Y362 HydrophobicContact CD1-CE2 3.92Å; F332-Y362 AromaticContact CE1-CD2 3.71Å; F332-Y362 HydrophobicContact CE1-CD2 3.71Å; F332-Y362 AromaticContact CE1-CE2 3.88Å; F332-Y362 HydrophobicContact CE1-CE2 3.88Å; F332-Y362 HydrophobicContact CE1-CG 4.07Å; E333-Y362 HydrophobicContact CG-CE1 3.73Å; E333-Y362 WeakPolarHBondContact OE1-CE1 3.32Å; E333-Y362 PolarHBondContact OE1-OH 3.27Å; L336-Y362 HydrophobicContact CD1-CD1 4.25Å; F345-Y362 HydrophobicContact CB-CD1 4.47Å; F345-Y362 AromaticContact CD2-CD1 3.79Å; F345-Y362 HydrophobicContact CD2-CD1 3.79Å; F345-Y362 AromaticContact CD2-CE1 3.9Å; F345-Y362 HydrophobicContact CD2-CE1 3.9Å; F345-Y362 HydrophobicContact CE2-CD1 4.38Å; F345-Y362 HydrophobicContact CE2-CE1 4.02Å; F345-Y362 HydrophobicContact CG-CD1 4.3Å; T347-Y362 HydrophobicContact CG2-CD1 3.56Å; T347-Y362 HydrophobicContact CG2-CE1 3.4Å; T347-Y362 VanDerWaalsContact CG2-CE1 3.4Å; T347-Y362 HydrophobicContact CG2-CG 4.28Å; L360-Y362 HydrophobicContact CD2-CE1 4.45Å; L360-Y362 HydrophobicContact CD2-CE2 3.84Å; L360-Y362 WeakPolarHBondContact CD2-OH 3.45Å; L360-Y362 HydrophobicContact CG-CE2 4.04Å
363	Q	98.5	Very high	85.3	Confident	27 Å²	27	54.9 Å²	54.9	13%	0.126	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	118.2	162.5	170.7	175.7	-135.7	0	0	107.9	E192 K315 L317 F345 T346	E192-Q363 VanDerWaalsContact CD-OE1 3.27Å; E192-Q363 PolarHBondContact OE1-OE1 3.47Å; K315-Q363 HydrophobicContact CD-CG 4.26Å; L317-Q363 HydrophobicContact CD2-CB 4.47Å; L317-Q363 HydrophobicContact CG-CB 4.33Å; L317-Q363 HydrophobicContact CG-CG 4.36Å; F345-Q363 CarbonylContact C-O 3.6Å; F345-Q363 WeakPolarHBondContact CA-O 3.27Å; T346-Q363 PolarHBondContact N-O 2.96Å; T346-Q363 PolarHBondContact O-N 3.39Å
364	V	98.5	Very high	82.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135.1	-173.1	-164.1	0	0	0	0	109.6	F307 Y316 L336 V343 K344 F345	F307-V364 HydrophobicContact CE1-CG1 4.46Å; F307-V364 HydrophobicContact CE2-CG1 4.15Å; F307-V364 HydrophobicContact CZ-CB 3.92Å; F307-V364 HydrophobicContact CZ-CG1 3.49Å; F307-V364 VanDerWaalsContact CZ-CG1 3.49Å; Y316-V364 HydrophobicContact CD1-CB 4.37Å; Y316-V364 HydrophobicContact CD1-CG2 4.09Å; Y316-V364 PolarHBondContact N-O 3.49Å; Y316-V364 PolarHBondContact O-N 3.05Å; L336-V364 HydrophobicContact CD1-CG2 4.12Å; L336-V364 HydrophobicContact CD2-CG1 4.19Å; L336-V364 HydrophobicContact CD2-CG2 4.08Å; V343-V364 HydrophobicContact CB-CG1 3.79Å; V343-V364 HydrophobicContact CG1-CG1 4.37Å; V343-V364 HydrophobicContact CG2-CG1 3.8Å; K344-V364 CarbonylContact O-C 3.53Å; K344-V364 WeakPolarHBondContact O-CA 3.22Å; F345-V364 HydrophobicContact CB-CB 4.28Å; F345-V364 HydrophobicContact CB-CG1 4.19Å; F345-V364 HydrophobicContact CB-CG2 3.91Å
365	T	98.2	Very high	80	Confident	28 Å²	28	63.1 Å²	63.1	17%	0.172	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	161	-178.8	52.6	0	0	0	0	110.6	K315 V343 K344 A367	K315-T365 HydrophobicContact CB-CG2 4.11Å; K315-T365 HydrophobicContact CD-CG2 3.97Å; K315-T365 HydrophobicContact CG-CG2 3.74Å; V343-T365 CarbonylContact C-O 3.47Å; V343-T365 WeakPolarHBondContact CA-O 3.44Å; V343-T365 VanDerWaalsContact CB-O 3.32Å; V343-T365 WeakPolarHBondContact CB-O 3.32Å; K344-T365 WeakPolarHBondContact CE-OG1 3.42Å; K344-T365 VanDerWaalsContact CG-OG1 3.29Å; K344-T365 WeakPolarHBondContact CG-OG1 3.43Å; K344-T365 PolarHBondContact N-O 3.2Å; K344-T365 PolarHBondContact O-N 2.89Å; T365-A367 PolarHBondContact O-N 3.48Å
366	F	97.9	Very high	77.3	Confident	45 Å²	45	67.5 Å²	67.5	20%	0.197	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	135	170.2	-67.2	-73.5	0	0	0	110.7	F307 L310 K311 P312 P341	F307-F366 HydrophobicContact CB-CE1 4.44Å; F307-F366 HydrophobicContact CB-CZ 4.41Å; F307-F366 HydrophobicContact CD1-CD1 4.09Å; F307-F366 AromaticContact CD1-CE1 3.59Å; F307-F366 HydrophobicContact CD1-CE1 3.59Å; F307-F366 HydrophobicContact CD1-CE2 4.23Å; F307-F366 AromaticContact CD1-CZ 3.68Å; F307-F366 HydrophobicContact CD1-CZ 3.68Å; F307-F366 HydrophobicContact CE1-CD1 4.49Å; F307-F366 HydrophobicContact CE1-CE1 4.4Å; F307-F366 HydrophobicContact CG-CE1 4.49Å; L310-F366 HydrophobicContact CB-CE2 4.06Å; L310-F366 HydrophobicContact CB-CZ 4.43Å; K311-F366 WeakPolarHBondContact O-CE2 3.34Å; P312-F366 WeakPolarHBondContact O-CD2 3.43Å; P341-F366 HydrophobicContact CB-CD1 4.17Å; P341-F366 HydrophobicContact CB-CE1 4.39Å; P341-F366 HydrophobicContact CG-CD1 4.35Å; P341-F366 HydrophobicContact CG-CE1 4.11Å
367	A	94.6	Very high	74.5	Confident	32 Å²	32	68.5 Å²	68.5	26%	0.264	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-69.6	143	170.2	0	0	0	0	0	109	K342 T365 Q369	K342-A367 HydrophobicContact CB-CB 4.04Å; K342-A367 WeakPolarHBondContact O-CB 3.15Å; K342-A367 PolarHBondContact O-N 3.46Å; T365-A367 PolarHBondContact O-N 3.48Å; A367-Q369 PolarHBondContact O-N 3.45Å
368	X	83.9	Confident	71.5	Confident	97 Å²	97	71.9 Å²	71.9	80%	0.802	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-57	125.9	174.7	0	0	0	0	0	109.4	A370	A368-A370 PolarHBondContact O-N 2.95Å
369	Q	66.2	Low	68.6	Low	170 Å²	170	74.2 Å²	74.2	79%	0.794	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-68.6	119	171.4	-73.7	173.6	-5.8	0	0	107.4	A367 Q371	A367-Q369 PolarHBondContact O-N 3.45Å; Q369-Q371 PolarHBondContact O-N 3.28Å
370	A	51.5	Low	65.6	Low	89 Å²	89	79.2 Å²	79.2	74%	0.736	52%	0.518	S	S	*	.			trans	-55.7	115.3	166.4	0	0	0	0	0	107	X368 V372	A368-A370 PolarHBondContact O-N 2.95Å; A370-V372 PolarHBondContact O-N 3.02Å
371	Q	38.2	Very low	62.3	Low	177 Å²	177	84.6 Å²	84.6	83%	0.827	55%	0.552	S	S	*	*			trans	-55.9	107.5	168.4	-72.8	-96.5	-42.7	0	0	105.9	Q369 D373	Q369-Q371 PolarHBondContact O-N 3.28Å; Q371-D373 VanDerWaalsContact C-N 3.29Å; Q371-D373 PolarHBondContact O-N 3.03Å
372	V	42	Very low	59.1	Low	130 Å²	130	89.9 Å²	89.9	79%	0.788	59%	0.589	S	S	*	*			trans	-71.1	99.8	167.1	-179.7	0	0	0	0	104.3	A370 S374	A370-V372 PolarHBondContact O-N 3.02Å; V372-S374 PolarHBondContact O-N 2.84Å
373	D	41.7	Very low	56.2	Low	125 Å²	125	95.4 Å²	95.4	67%	0.668	63%	0.629	S	S	*	*			trans	-53.5	103.9	170.1	-92.1	-23.2	0	0	0	107.8	Q371 S375	Q371-D373 VanDerWaalsContact C-N 3.29Å; Q371-D373 PolarHBondContact O-N 3.03Å; D373-S375 PolarHBondContact O-N 3.4Å
374	S	43.2	Very low	53	Low	110 Å²	110	98.6 Å²	98.6	77%	0.769	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-72.6	10.8	176.5	52.4	0	0	0	0	112.6	V372 A376	V372-S374 PolarHBondContact O-N 2.84Å; S374-A376 VanDerWaalsContact C-N 3.33Å; S374-A376 PolarHBondContact O-N 3.25Å
375	S	43	Very low	50.7	Low	100 Å²	100	104 Å²	104	70%	0.699	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-79.7	-8	178.3	63.9	0	0	0	0	114.2	D373	D373-S375 PolarHBondContact O-N 3.4Å
376	A	40.8	Very low	47.7	Very low	98 Å²	98	108.7 Å²	108.7	81%	0.81	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-90.8	-2.4	178.3	0	0	0	0	0	114.8	S374	S374-A376 VanDerWaalsContact C-N 3.33Å; S374-A376 PolarHBondContact O-N 3.25Å
377	A	38.5	Very low	44.5	Very low	95 Å²	95	113.1 Å²	113.1	79%	0.785	76%	0.757	S	S	*	*	S	Bend	trans	-108.8	48.4	-179.5	0	0	0	0	0	112.6
378	A	34	Very low	41.6	Very low	79 Å²	79	116.3 Å²	116.3	65%	0.653	78%	0.783	S	S	*	*	S	Bend	trans	-153.1	128.9	163.5	0	0	0	0	0	111.2
379	V	36.8	Very low	38.9	Very low	132 Å²	132	116.2 Å²	116.2	80%	0.8	78%	0.777	S	S	*	*			trans	81.2	76.7	161.9	-157.1	0	0	0	0	116.7
380	A	34.5	Very low	37.3	Very low	109 Å²	109	117 Å²	117	90%	0.901	78%	0.78	S	S	*	*			trans	-136.2	73.1	139	0	0	0	0	0	108.5
381	T	29.7	Very low	36.2	Very low	125 Å²	125	119.1 Å²	119.1	77%	0.767	78%	0.784	S	S	*	*			trans	-90.3	144.5	165.2	44.5	0	0	0	0	109.2
382	S	31.1	Very low	36.5	Very low	115 Å²	115	116.5 Å²	116.5	80%	0.804	78%	0.782	S	S	*	*			trans	81.6	97	163	179.7	0	0	0	0	118.7
383	S	37.2	Very low	36	Very low	120 Å²	120	115.3 Å²	115.3	84%	0.839	79%	0.786	S	S	*	*				-168.6	143.4	106.1	45.8	0	0	0	0	111.2
384	A	32.3	Very low	35.2	Very low	95 Å²	95	113.7 Å²	113.7	79%	0.785	79%	0.785	S	S	*	*			trans	-93.7	-175.8	-170.2	0	0	0	0	0	111.7
385	P	50.1	Low	34.4	Very low	113 Å²	113	117 Å²	117	73%	0.734	79%	0.788	S	S	*	*				-113	176.5	-122.3	40.4	-26.2	0	0	0	114.1
386	P	34.9	Very low	33.7	Very low	126 Å²	126	117.4 Å²	117.4	82%	0.818	79%	0.791	S	S	*	*			trans	-119.1	127.8	144.3	26	-9.6	0	0	0	111.2
387	T	29.9	Very low	32.9	Very low	138 Å²	138	120.5 Å²	120.5	85%	0.847	79%	0.792	S	S	*	*			trans	-65.2	130.2	164.9	49.2	0	0	0	0	111.1
388	A	33.6	Very low	32.5	Very low	99 Å²	99	120.9 Å²	120.9	82%	0.818	79%	0.789	S	S	*	*			trans	-155.3	116.4	149.8	0	0	0	0	0	109.9
389	S	27	Very low	31.9	Very low	96 Å²	96	125.8 Å²	125.8	67%	0.671	80%	0.798	S	S	*	*			trans	-59.2	141.5	165.5	49.3	0	0	0	0	111.8
390	H	33	Very low	31.6	Very low	186 Å²	186	128.2 Å²	128.2	86%	0.861	80%	0.801	S	S	*	*				-175.1	138.7	120.5	-90.3	-60.5	0	0	0	110.8
391	T	28.8	Very low	31.5	Very low	133 Å²	133	128.8 Å²	128.8	82%	0.816	80%	0.795	S	S	*	*			trans	-79.6	177.4	-174.7	8	0	0	0	0	112.9
392	P	44.6	Very low	31.4	Very low	122 Å²	122	126.2 Å²	126.2	79%	0.792	79%	0.793	S	S	*	*				-104.2	159.9	-124.6	40.9	-34.8	0	0	0	114.6
393	A	31.6	Very low	31.3	Very low	106 Å²	106	127.5 Å²	127.5	88%	0.876	80%	0.797	S	S	*	*			trans	-119.5	115.7	162.2	0	0	0	0	0	109.8
394	S	25.2	Very low	31	Very low	90 Å²	90	128.4 Å²	128.4	63%	0.629	80%	0.797	S	S	*	*			trans	-73.2	157.5	169.4	49.6	0	0	0	0	112.5
395	H	25.8	Very low	30.9	Very low	180 Å²	180	126.9 Å²	126.9	83%	0.833	79%	0.79	S	S	*	*			trans	78.4	109.7	158.8	-56.8	-56.5	0	0	0	118.2
396	S	28	Very low	29.9	Very low	109 Å²	109	130.4 Å²	130.4	76%	0.762	80%	0.797	S	S	*	*				-169.3	119	105.8	53.8	0	0	0	0	110.4	S398	S396-S398 PolarHBondContact O-N 2.89Å
397	I	24.4	Very low	29.5	Very low	163 Å²	163	133 Å²	133	84%	0.836	80%	0.8	S	S	*	*			trans	-69.6	113.8	163.7	-71.7	165.3	0	0	0	106.5	Q399	I397-Q399 HydrophobicContact CG2-CG 4.36Å
398	S	29	Very low	29.4	Very low	103 Å²	103	134 Å²	134	72%	0.72	80%	0.8	S	S	*	*			trans	-117	104.7	162.9	55.1	0	0	0	0	107.6	S396 E400	S396-S398 PolarHBondContact O-N 2.89Å; S398-E400 PolarHBondContact O-N 3.32Å
399	Q	23.1	Very low	29	Very low	182 Å²	182	137 Å²	137	85%	0.85	80%	0.797	S	S	*	*			trans	-65.9	121.3	164.9	-68.9	176.2	-18.6	0	0	107.8	I397	I397-Q399 HydrophobicContact CG2-CG 4.36Å
400	E	29.3	Very low	29	Very low	183 Å²	183	140.5 Å²	140.5	86%	0.855	81%	0.807	S	S	*	*			trans	-121.2	148.2	159.3	-87.2	-160.1	165.2	0	0	110	S398	S398-E400 PolarHBondContact O-N 3.32Å
401	P	33.4	Very low	28.7	Very low	121 Å²	121	138 Å²	138	79%	0.786	80%	0.796	S	S	*	*			trans	-96.2	138.8	-151.7	14.9	3.2	0	0	0	112.6	T403	P401-T403 PolarHBondContact O-N 2.85Å
402	G	27.6	Very low	28.5	Very low	70 Å²	70	136.8 Å²	136.8	72%	0.722	79%	0.792	S	S	*	*			trans	46.8	74.3	137.1	0	0	0	0	0	116.4	V404	G402-V404 PolarHBondContact O-N 3.25Å; G402-V404 VanDerWaalsContact O-N 3.16Å
403	T	29.1	Very low	27.6	Very low	143 Å²	143	141 Å²	141	88%	0.877	79%	0.794	S	S	*	*			trans	-68.9	109.8	155.7	-9	0	0	0	0	107.1	P401 G405	P401-T403 PolarHBondContact O-N 2.85Å; T403-G405 VanDerWaalsContact C-N 3.33Å; T403-G405 PolarHBondContact O-N 2.89Å
404	V	30.2	Very low	27.4	Very low	139 Å²	139	141.7 Å²	141.7	84%	0.842	79%	0.787	S	S	*	*			trans	-56.2	99.5	169.5	177.3	0	0	0	0	106.8	G402 E406	G402-V404 PolarHBondContact O-N 3.25Å; G402-V404 VanDerWaalsContact O-N 3.16Å; V404-E406 PolarHBondContact O-N 3.41Å
405	G	29.6	Very low	27.6	Very low	63 Å²	63	142.9 Å²	142.9	65%	0.649	79%	0.791	S	S	*	*			trans	-59.4	122.1	175.6	0	0	0	0	0	108.6	T403 M407	T403-G405 VanDerWaalsContact C-N 3.33Å; T403-G405 PolarHBondContact O-N 2.89Å; G405-M407 PolarHBondContact O-N 2.78Å
406	E	28.9	Very low	27.6	Very low	187 Å²	187	139.4 Å²	139.4	87%	0.874	78%	0.782	S	S	*	*			trans	-48	109.7	175.3	-71.2	173.9	142.9	0	0	109.5	V404 L408	V404-E406 PolarHBondContact O-N 3.41Å; E406-L408 VanDerWaalsContact C-N 3.34Å; E406-L408 PolarHBondContact O-N 2.87Å
407	M	26.4	Very low	27.8	Very low	180 Å²	180	139.4 Å²	139.4	89%	0.887	77%	0.773	S	S	*	*			trans	-65.4	97.7	173	-169.9	171.7	157.7	0	0	106.6	G405 Q409	G405-M407 PolarHBondContact O-N 2.78Å; M407-Q409 PolarHBondContact O-N 2.79Å
408	L	28.4	Very low	27.9	Very low	160 Å²	160	140 Å²	140	84%	0.838	77%	0.772	S	S	*	*			trans	-48.3	102.5	172.3	-87.9	144.6	0	0	0	108.5	E406 L410	E406-L408 VanDerWaalsContact C-N 3.34Å; E406-L408 PolarHBondContact O-N 2.87Å; L408-L410 VanDerWaalsContact C-N 3.33Å; L408-L410 PolarHBondContact O-N 2.96Å
409	Q	25.3	Very low	27.8	Very low	161 Å²	161	138.8 Å²	138.8	75%	0.752	78%	0.775	S	S	*	*			trans	-64.4	96.8	171.5	-84.5	-176.1	-25.1	0	0	108	M407 H411	M407-Q409 PolarHBondContact O-N 2.79Å; Q409-H411 VanDerWaalsContact C-N 3.35Å; Q409-H411 PolarHBondContact O-N 3.19Å; Q409-H411 PolarHBondContact O-ND1 3.4Å
410	L	26.7	Very low	28.1	Very low	170 Å²	170	134.6 Å²	134.6	89%	0.89	77%	0.772	S	S	*	*			trans	-58.2	99	165	-73.6	164	0	0	0	107.8	L408 S412	L408-L410 VanDerWaalsContact C-N 3.33Å; L408-L410 PolarHBondContact O-N 2.96Å; L410-S412 PolarHBondContact O-N 3.16Å
411	H	26.5	Very low	28	Very low	134 Å²	134	130.9 Å²	130.9	62%	0.62	77%	0.772	S	S	*	*			trans	-72.5	94.9	169.5	-77.5	67	0	0	0	107.5	Q409 Y413	Q409-H411 VanDerWaalsContact C-N 3.35Å; Q409-H411 PolarHBondContact O-N 3.19Å; Q409-H411 PolarHBondContact O-ND1 3.4Å; H411-Y413 HydrophobicContact CB-CE2 4.06Å; H411-Y413 WeakPolarHBondContact O-CD2 3.43Å; H411-Y413 PolarHBondContact O-N 3.11Å
412	S	25.9	Very low	27.8	Very low	107 Å²	107	131.7 Å²	131.7	75%	0.748	77%	0.774	S	S	*	*			trans	-72.2	115.3	168.3	57.8	0	0	0	0	108.9	L410	L410-S412 PolarHBondContact O-N 3.16Å
413	Y	24.9	Very low	27.7	Very low	210 Å²	210	131.5 Å²	131.5	82%	0.824	77%	0.772	S	S	*	*			trans	-85.9	122.4	171.5	-71	-91	0	0	0	109.6	H411	H411-Y413 HydrophobicContact CB-CE2 4.06Å; H411-Y413 WeakPolarHBondContact O-CD2 3.43Å; H411-Y413 PolarHBondContact O-N 3.11Å
414	T	27.5	Very low	27.5	Very low	120 Å²	120	130.9 Å²	130.9	74%	0.736	77%	0.768	S	S	*	*			trans	-95.8	127	176	-58.4	0	0	0	0	109.6
415	V	29.4	Very low	27.4	Very low	116 Å²	116	133.2 Å²	133.2	70%	0.703	77%	0.77	S	S	*	*			trans	-91	113	166.9	178.6	0	0	0	0	108.3
416	T	25.3	Very low	27.2	Very low	106 Å²	106	139 Å²	139	65%	0.65	78%	0.78	S	S	*	*			trans	-82.8	112.8	179.1	-53.9	0	0	0	0	110.8
417	I	32.4	Very low	27.1	Very low	110 Å²	110	139.2 Å²	139.2	56%	0.564	78%	0.781	S	S	*	*			trans	-87.7	120.7	172.5	-54	-177.6	0	0	0	109	G419	I417-G419 PolarHBondContact O-N 3.37Å
418	H	26.2	Very low	27.2	Very low	176 Å²	176	139.2 Å²	139.2	82%	0.815	78%	0.779	S	S	*	*			trans	-79.8	105.2	174.9	-76.6	65.9	0	0	0	109.9
419	G	27.8	Very low	27.1	Very low	76 Å²	76	139.5 Å²	139.5	78%	0.784	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-68.7	129.1	172.4	0	0	0	0	0	111.9	I417 A421	I417-G419 PolarHBondContact O-N 3.37Å; G419-A421 PolarHBondContact O-N 3.46Å
420	A	28.2	Very low	27.3	Very low	95 Å²	95	140.3 Å²	140.3	79%	0.785	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-74.7	121.6	173.2	0	0	0	0	0	110.1	V422	A420-V422 PolarHBondContact O-N 3.06Å
421	A	27.6	Very low	27.3	Very low	104 Å²	104	139.1 Å²	139.1	86%	0.86	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-60	118	174.1	0	0	0	0	0	110.6	G419 G423	G419-A421 PolarHBondContact O-N 3.46Å; A421-G423 PolarHBondContact O-N 2.89Å
422	V	29.5	Very low	27.4	Very low	138 Å²	138	140 Å²	140	84%	0.836	79%	0.791	S	S	*	*			trans	-73.1	104.4	172.5	-177.8	0	0	0	0	107.5	A420 V424	A420-V422 PolarHBondContact O-N 3.06Å; V422-V424 PolarHBondContact O-N 3.17Å
423	G	26.7	Very low	27.4	Very low	66 Å²	66	138.6 Å²	138.6	68%	0.68	79%	0.793	S	S	*	*			trans	-68.3	118.8	172.8	0	0	0	0	0	110.5	A421 Q425	A421-G423 PolarHBondContact O-N 2.89Å; G423-Q425 PolarHBondContact O-N 3.33Å
424	V	24.4	Very low	27.6	Very low	131 Å²	131	133.2 Å²	133.2	79%	0.794	79%	0.792	S	S	*	*			trans	-65.8	113.9	170.2	-177.5	0	0	0	0	107.9	V422	V422-V424 PolarHBondContact O-N 3.17Å
425	Q	26.7	Very low	27.6	Very low	187 Å²	187	134.9 Å²	134.9	87%	0.874	80%	0.802	S	S	*	*			trans	-87.5	116.3	165	-88.7	-170.2	-34.8	0	0	108.3	G423 E427	G423-Q425 PolarHBondContact O-N 3.33Å; Q425-E427 PolarHBondContact O-N 3.17Å
426	E	25.6	Very low	27.6	Very low	185 Å²	185	132.9 Å²	132.9	86%	0.864	80%	0.804	S	S	*	*			trans	-66.9	118.3	169.8	-67.6	178.1	156.6	0	0	109.5	E428	E426-E428 PolarHBondContact O-N 3.38Å
427	E	28.4	Very low	27.6	Very low	192 Å²	192	136.5 Å²	136.5	90%	0.897	81%	0.814	S	S	*	*			trans	-81.1	110.3	171.6	-81.9	-174.6	150.2	0	0	110	Q425 N429	Q425-E427 PolarHBondContact O-N 3.17Å; E427-N429 PolarHBondContact O-N 3.09Å
428	E	28.4	Very low	27.4	Very low	179 Å²	179	138.9 Å²	138.9	84%	0.836	83%	0.827	S	S	*	*			trans	-70.6	119.1	167.9	-86.3	-174.7	149	0	0	111	E426 M430	E426-E428 PolarHBondContact O-N 3.38Å; E428-M430 PolarHBondContact O-N 3.25Å
429	N	25.1	Very low	27.4	Very low	166 Å²	166	140.5 Å²	140.5	89%	0.888	83%	0.832	S	S	*	*			trans	-57.5	112.6	170.6	-85	-45.9	0	0	0	112.1	E427	E427-N429 PolarHBondContact O-N 3.09Å
430	M	29.8	Very low	27.6	Very low	179 Å²	179	142.7 Å²	142.7	88%	0.882	83%	0.832	S	S	*	*			trans	-117.4	115.5	156.3	-78.1	-165.2	-150.7	0	0	111.1	E428	E428-M430 PolarHBondContact O-N 3.25Å
431	N	27.5	Very low	27.5	Very low	145 Å²	145	149.6 Å²	149.6	78%	0.775	84%	0.838	S	S	*	*			trans	-77.9	121.7	-172.4	-159.1	7.5	0	0	0	111.6
432	N	27.1	Very low	27.8	Very low	153 Å²	153	150.4 Å²	150.4	82%	0.818	84%	0.835	S	S	*	*			trans	26.1	120.7	143.9	-66.1	-44.8	0	0	0	120.9
433	G	27.1	Very low	27.9	Very low	77 Å²	77	155.3 Å²	155.3	79%	0.794	84%	0.838	S	S	*	*			trans	-170.2	96.8	159.3	0	0	0	0	0	114.6
434	A	29.5	Very low	27.8	Very low	96 Å²	96	163.9 Å²	163.9	79%	0.793	85%	0.85	S	S	*	*			trans	71.7	97	149.5	0	0	0	0	0	121.3
435	V	27.4	Very low	28.1	Very low	155 Å²	155	169.1 Å²	169.1	94%	0.939	86%	0.855	S	S	*	*				36	113.5	121.8	-171.7	0	0	0	0	118.6
436	G	28.9	Very low	28.1	Very low	74 Å²	74	169.9 Å²	169.9	76%	0.763	86%	0.856	S	S	*	*			trans	179.3	111.7	162.2	0	0	0	0	0	114.1
437	Q	24.8	Very low	28.2	Very low	183 Å²	183	170.9 Å²	170.9	86%	0.855	86%	0.857	S	S	*	*			trans	-39.2	136.4	179.5	-62.8	169.8	0.4	0	0	117.7
438	L	28.6	Very low	28.1	Very low	160 Å²	160	171.2 Å²	171.2	84%	0.838	86%	0.856	S	S	*	*				155.8	125.9	119.6	-96	137.7	0	0	0	111.5	P440	L438-P440 WeakPolarHBondContact O-CD 3.34Å
439	K	27	Very low	27.9	Very low	209 Å²	209	173.2 Å²	173.2	91%	0.909	86%	0.856	S	S	*	*			trans	-59.4	134.5	175.2	-76.8	177.8	173.1	176.8	0	112.4
440	P	31.5	Very low	28	Very low	122 Å²	122	170.1 Å²	170.1	79%	0.792	84%	0.842	S	S	*	*			trans	-116.2	137.8	146.8	19.4	0.5	0	0	0	111.8	L438	L438-P440 WeakPolarHBondContact O-CD 3.34Å
441	R	26.7	Very low	27.7	Very low	240 Å²	240	168.9 Å²	168.9	91%	0.906	83%	0.834	S	S	*	*			trans	-54	157.2	178.1	-95.5	174.9	166.5	175.3	-4.9	114.3
442	P	34	Very low	27.8	Very low	122 Å²	122	168.9 Å²	168.9	79%	0.792	82%	0.824	S	S	*	*			trans	-76.8	127.1	-163.7	31.8	-33.5	0	0	0	111.9	R444	P442-R444 PolarHBondContact O-N 2.69Å
443	R	30	Very low	27.7	Very low	241 Å²	241	170.5 Å²	170.5	91%	0.909	83%	0.827	S	S	*	*			trans	-72.9	113.3	167.9	-83.1	-178.8	162.6	178.3	-4.3	109	R445	R443-R445 PolarHBondContact O-N 3.38Å
444	R	26.3	Very low	28	Very low	245 Å²	245	172.4 Å²	172.4	93%	0.925	82%	0.815	S	S	*	*			trans	-45.4	106.8	166.3	-85	176.2	155.9	178.1	-7.2	109.8	P442 K446	P442-R444 PolarHBondContact O-N 2.69Å; R444-K446 PolarHBondContact O-N 3.2Å
445	R	30	Very low	27.8	Very low	241 Å²	241	173.6 Å²	173.6	91%	0.909	81%	0.812	S	S	*	*			trans	-67	118.1	168	-81.9	-179	164	177.4	-4.7	107.8	R443 K447	R443-R445 PolarHBondContact O-N 3.38Å; R445-K447 PolarHBondContact O-N 2.98Å; R445-K447 VanDerWaalsContact O-N 3.14Å
446	K	27.2	Very low	28	Very low	203 Å²	203	172.3 Å²	172.3	88%	0.883	80%	0.799	S	S	*	*			trans	-60.2	112.9	171.4	-77.2	-178.8	174.8	-178.2	0	108	R444 K448	R444-K446 PolarHBondContact O-N 3.2Å; K446-K448 PolarHBondContact O-N 3.22Å; K446-K448 VanDerWaalsContact O-N 3.14Å
447	K	27.9	Very low	27.8	Very low	206 Å²	206	175.2 Å²	175.2	90%	0.896	80%	0.802	S	S	*	*			trans	-55.9	114.2	171.1	-74	-174.9	173.4	-172.4	0	108.2	R445 R449	R445-K447 PolarHBondContact O-N 2.98Å; R445-K447 VanDerWaalsContact O-N 3.14Å; K447-R449 PolarHBondContact O-N 3.4Å
448	K	25.8	Very low	28.5	Very low	200 Å²	200	175.3 Å²	175.3	87%	0.87	82%	0.823	S	S	*	*			trans	-69.9	113.5	165.9	-80.4	-172.7	175.8	-179.4	0	106.6	K446 V450	K446-K448 PolarHBondContact O-N 3.22Å; K446-K448 VanDerWaalsContact O-N 3.14Å; K448-V450 PolarHBondContact O-N 3.19Å
449	R	24.8	Very low	28.5	Very low	221 Å²	221	176.1 Å²	176.1	83%	0.834	82%	0.822	S	S	*	*			trans	-65.1	114.8	168.5	-88.4	178.4	158.5	-177.2	-6.2	107.7	K447	K447-R449 PolarHBondContact O-N 3.4Å
450	V	26.8	Very low	28.6	Very low	100 Å²	100	174.3 Å²	174.3	61%	0.606	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-79.6	126.2	163.6	-179.5	0	0	0	0	106	K448 Y452	K448-V450 PolarHBondContact O-N 3.19Å; V450-Y452 HydrophobicContact CB-CE2 4.27Å; V450-Y452 HydrophobicContact CG1-CE1 4.32Å; V450-Y452 HydrophobicContact CG1-CE2 3.99Å
451	H	23.6	Very low	28.4	Very low	153 Å²	153	177.2 Å²	177.2	71%	0.708	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-98.5	118.2	176	-80.3	-10	0	0	0	108.5
452	Y	29.7	Very low	28.5	Very low	146 Å²	146	173.5 Å²	173.5	57%	0.573	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-88.4	127	172.6	-63	-85.2	0	0	0	108.7	V450	V450-Y452 HydrophobicContact CB-CE2 4.27Å; V450-Y452 HydrophobicContact CG1-CE1 4.32Å; V450-Y452 HydrophobicContact CG1-CE2 3.99Å
453	H	24.8	Very low	28.2	Very low	187 Å²	187	176.8 Å²	176.8	87%	0.866	82%	0.815	S	S	*	*			trans	-96.3	114.4	173.3	-102.3	20.6	0	0	0	108.7
454	H	33.4	Very low	28	Very low	117 Å²	117	172.5 Å²	172.5	54%	0.542	81%	0.809	S	S	.	*			trans	-103.5	124.9	171.4	-68.9	-81.7	0	0	0	108.9
455	T	25.6	Very low	28.2	Very low	121 Å²	121	167.3 Å²	167.3	74%	0.742	80%	0.8	S	S	*	*			trans	-110.4	112.3	169.9	-55.1	0	0	0	0	108.2
456	L	30.3	Very low	28	Very low	128 Å²	128	161.6 Å²	161.6	67%	0.67	79%	0.792	S	S	*	*			trans	-78.5	130.7	169.8	-75.9	150.8	0	0	0	109.3	V191	V191-L456 HydrophobicContact CB-CD1 4.35Å; V191-L456 HydrophobicContact CG1-CD1 3.75Å; V191-L456 HydrophobicContact CG1-CD2 4.27Å; V191-L456 HydrophobicContact CG2-CD1 4.03Å; V191-L456 HydrophobicContact CG2-CG 4.37Å
457	V	25.2	Very low	28.1	Very low	134 Å²	134	158.2 Å²	158.2	81%	0.812	78%	0.784	S	S	*	*			trans	-111.6	118.1	161.2	-173.7	0	0	0	0	106.1
458	S	39.1	Very low	28.1	Very low	185 Å²	185	153.8 Å²	153.8	100%	1.294	77%	0.774	S	S	*	*			trans	-61	0	-172.5	57.3	0	0	0	0	114.8

Retrieved 458 of 458 residues in 630.6 ms (Link to these results)

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