A0A5K4EZR3_SCHMA Loading...

TMEM132 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EZR3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 719 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.1	Very low	55.9	Low	180 Å²	180	96.1 Å²	96.1	89%	0.887	51%	0.509	S	S	*	.				0	-58	0	-70.5	-58.4	-102.1	0	0	113	V3 L4 A5	M1-V3 PolarHBondContact O-N 3.03Å; M1-L4 WeakPolarHBondContact O-CB 3.43Å; M1-L4 PolarHBondContact O-N 3.05Å; M1-A5 PolarHBondContact O-N 3.12Å
2	L	44.7	Very low	56	Low	139 Å²	139	91.8 Å²	91.8	73%	0.728	49%	0.489	S	S	*	.	H	α-helix	trans	-60.8	-42.4	-178.9	-123.4	153.1	0	0	0	113.6	A5 Y6	L2-A5 PolarHBondContact O-N 2.67Å; L2-Y6 HydrophobicContact CD2-CD2 4.37Å; L2-Y6 PolarHBondContact O-N 2.92Å
3	V	56.7	Low	56.1	Low	112 Å²	112	92.4 Å²	92.4	68%	0.679	50%	0.498	S	S	*	.	H	α-helix	trans	-64.6	-42.1	174.2	-180	0	0	0	0	111.5	M1 A5 Y6 V7	M1-V3 PolarHBondContact O-N 3.03Å; V3-A5 VanDerWaalsContact C-N 3.35Å; V3-A5 PolarHBondContact O-N 2.8Å; V3-Y6 WeakPolarHBondContact O-CB 3.15Å; V3-Y6 PolarHBondContact O-N 3.21Å; V3-V7 HydrophobicContact CG1-CG2 4.32Å; V3-V7 VanDerWaalsContact O-CG2 3.27Å; V3-V7 WeakPolarHBondContact O-CG2 3.39Å; V3-V7 PolarHBondContact O-N 2.85Å
4	L	57.3	Low	56.1	Low	50 Å²	50	93.5 Å²	93.5	26%	0.262	50%	0.504	S	S	.	.	H	α-helix	trans	-63	-41.7	176.9	-161.7	91.2	0	0	0	111.2	M1 Y6 V7 I8 L701	M1-L4 WeakPolarHBondContact O-CB 3.43Å; M1-L4 PolarHBondContact O-N 3.05Å; L4-Y6 VanDerWaalsContact C-N 3.33Å; L4-Y6 PolarHBondContact O-N 3.03Å; L4-V7 PolarHBondContact O-N 3.46Å; L4-I8 HydrophobicContact CD2-CD1 3.97Å; L4-I8 HydrophobicContact CG-CD1 3.99Å; L4-I8 WeakPolarHBondContact O-CB 3.44Å; L4-I8 WeakPolarHBondContact O-CD1 3.34Å; L4-I8 WeakPolarHBondContact O-CG1 2.97Å; L4-I8 PolarHBondContact O-N 3.13Å; L4-L701 HydrophobicContact CD1-CD2 4.13Å
5	A	57	Low	56.4	Low	53 Å²	53	90.2 Å²	90.2	44%	0.438	48%	0.484	S	S	.	.	H	α-helix	trans	-64.2	-37.8	174.6	0	0	0	0	0	112	M1 L2 V3 S9	M1-A5 PolarHBondContact O-N 3.12Å; L2-A5 PolarHBondContact O-N 2.67Å; V3-A5 VanDerWaalsContact C-N 3.35Å; V3-A5 PolarHBondContact O-N 2.8Å; A5-S9 WeakPolarHBondContact O-CB 2.93Å; A5-S9 PolarHBondContact O-N 3.07Å; A5-S9 PolarHBondContact O-OG 2.88Å
6	Y	58.2	Low	56.8	Low	156 Å²	156	87.6 Å²	87.6	61%	0.612	47%	0.468	S	S	*	.	H	α-helix	trans	-65.5	-44	173.7	-115.4	-85	0	0	0	112.2	L2 V3 L4 S9 F10	L2-Y6 HydrophobicContact CD2-CD2 4.37Å; L2-Y6 PolarHBondContact O-N 2.92Å; V3-Y6 WeakPolarHBondContact O-CB 3.15Å; V3-Y6 PolarHBondContact O-N 3.21Å; L4-Y6 VanDerWaalsContact C-N 3.33Å; L4-Y6 PolarHBondContact O-N 3.03Å; Y6-S9 PolarHBondContact O-N 2.93Å; Y6-F10 WeakPolarHBondContact O-CB 3.3Å; Y6-F10 PolarHBondContact O-N 3.49Å
7	V	62.6	Low	57.8	Low	61 Å²	61	83.7 Å²	83.7	37%	0.37	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-44.2	177.3	172.6	0	0	0	0	110.6	V3 L4 F10 V11 L701	V3-V7 HydrophobicContact CG1-CG2 4.32Å; V3-V7 VanDerWaalsContact O-CG2 3.27Å; V3-V7 WeakPolarHBondContact O-CG2 3.39Å; V3-V7 PolarHBondContact O-N 2.85Å; L4-V7 PolarHBondContact O-N 3.46Å; V7-F10 PolarHBondContact O-N 3.15Å; V7-V11 HydrophobicContact CG1-CG2 4.3Å; V7-V11 WeakPolarHBondContact O-CB 3.33Å; V7-V11 WeakPolarHBondContact O-CG2 3.48Å; V7-V11 PolarHBondContact O-N 3.33Å; V7-L701 HydrophobicContact CG1-CD1 4.12Å; V7-L701 HydrophobicContact CG1-CD2 4.43Å
8	I	61.2	Low	58.9	Low	57 Å²	57	81 Å²	81	29%	0.292	43%	0.432	S	S	.	.	H	α-helix	trans	-62.9	-44	176.1	-68.5	165	0	0	0	110.5	L4 F10 V11 V12 L701	L4-I8 HydrophobicContact CD2-CD1 3.97Å; L4-I8 HydrophobicContact CG-CD1 3.99Å; L4-I8 WeakPolarHBondContact O-CB 3.44Å; L4-I8 WeakPolarHBondContact O-CD1 3.34Å; L4-I8 WeakPolarHBondContact O-CG1 2.97Å; L4-I8 PolarHBondContact O-N 3.13Å; I8-F10 VanDerWaalsContact C-N 3.35Å; I8-F10 PolarHBondContact O-N 2.78Å; I8-V11 PolarHBondContact O-N 3.22Å; I8-V12 HydrophobicContact CG2-CG2 4.19Å; I8-V12 WeakPolarHBondContact O-CB 3.17Å; I8-V12 WeakPolarHBondContact O-CG2 3.23Å; I8-V12 PolarHBondContact O-N 3.21Å; I8-L701 HydrophobicContact CG1-CD1 4.31Å
9	S	58	Low	60	Low	73 Å²	73	78.7 Å²	78.7	51%	0.51	42%	0.424	S	S	.	.	H	α-helix	trans	-61	-42.6	174.8	-74.6	0	0	0	0	112	A5 Y6 V12 V13	A5-S9 WeakPolarHBondContact O-CB 2.93Å; A5-S9 PolarHBondContact O-N 3.07Å; A5-S9 PolarHBondContact O-OG 2.88Å; Y6-S9 PolarHBondContact O-N 2.93Å; S9-V12 PolarHBondContact O-N 2.88Å; S9-V13 WeakPolarHBondContact O-CB 3.31Å; S9-V13 WeakPolarHBondContact O-CG2 3.22Å; S9-V13 PolarHBondContact O-N 3.37Å
10	F	56.1	Low	61	Low	145 Å²	145	75.3 Å²	75.3	64%	0.636	41%	0.405	S	S	*	.	H	α-helix	trans	-61.6	-44.5	175.3	-119.1	-86.7	0	0	0	111.8	Y6 V7 I8 V13 D14	Y6-F10 WeakPolarHBondContact O-CB 3.3Å; Y6-F10 PolarHBondContact O-N 3.49Å; V7-F10 PolarHBondContact O-N 3.15Å; I8-F10 VanDerWaalsContact C-N 3.35Å; I8-F10 PolarHBondContact O-N 2.78Å; F10-V13 PolarHBondContact O-N 3.08Å; F10-D14 PolarHBondContact O-N 2.94Å
11	V	58.4	Low	61.8	Low	31 Å²	31	73.2 Å²	73.2	19%	0.188	39%	0.394	C	S	.	.	H	α-helix	trans	-66	-40.2	179	169.6	0	0	0	0	111.9	V7 I8 V13 D14 H15 L697	V7-V11 HydrophobicContact CG1-CG2 4.3Å; V7-V11 WeakPolarHBondContact O-CB 3.33Å; V7-V11 WeakPolarHBondContact O-CG2 3.48Å; V7-V11 PolarHBondContact O-N 3.33Å; I8-V11 PolarHBondContact O-N 3.22Å; V11-V13 VanDerWaalsContact C-N 3.35Å; V11-D14 PolarHBondContact O-N 3.19Å; V11-H15 WeakPolarHBondContact O-CB 3.35Å; V11-H15 PolarHBondContact O-CD2 3.47Å; V11-H15 PolarHBondContact O-N 3.17Å; V11-L697 HydrophobicContact CB-CD2 4.48Å; V11-L697 HydrophobicContact CG1-CD1 3.78Å; V11-L697 HydrophobicContact CG1-CD2 3.74Å; V11-L697 HydrophobicContact CG1-CG 4.31Å; V11-L697 HydrophobicContact CG2-CD2 4.09Å
12	V	56.4	Low	63.4	Low	44 Å²	44	66.7 Å²	66.7	27%	0.267	37%	0.365	S	S	.	.	H	α-helix	trans	-63.8	-43.2	175.6	171.4	0	0	0	0	110.3	I8 S9 H15 H16 L694	I8-V12 HydrophobicContact CG2-CG2 4.19Å; I8-V12 WeakPolarHBondContact O-CB 3.17Å; I8-V12 WeakPolarHBondContact O-CG2 3.23Å; I8-V12 PolarHBondContact O-N 3.21Å; S9-V12 PolarHBondContact O-N 2.88Å; V12-H15 PolarHBondContact O-N 2.69Å; V12-H16 PolarHBondContact O-CD2 3.08Å; V12-L694 HydrophobicContact CB-CD1 4.49Å; V12-L694 HydrophobicContact CG2-CD1 3.84Å
13	V	57.1	Low	64.8	Low	100 Å²	100	60.5 Å²	60.5	61%	0.606	33%	0.332	S	S	*	.	H	α-helix	trans	-64.6	-41.4	178	172.1	0	0	0	0	111.2	S9 F10 V11 H15 H16	S9-V13 WeakPolarHBondContact O-CB 3.31Å; S9-V13 WeakPolarHBondContact O-CG2 3.22Å; S9-V13 PolarHBondContact O-N 3.37Å; F10-V13 PolarHBondContact O-N 3.08Å; V11-V13 VanDerWaalsContact C-N 3.35Å; V13-H15 VanDerWaalsContact C-N 3.34Å; V13-H15 PolarHBondContact O-N 3.04Å; V13-H16 PolarHBondContact O-CD2 2.88Å
14	D	56.4	Low	65.6	Low	108 Å²	108	55.2 Å²	55.2	58%	0.578	30%	0.3	S	S	*	.	H	α-helix	trans	-73	-23.2	179.4	-111.5	-14.3	0	0	0	113.9	F10 V11	F10-D14 PolarHBondContact O-N 2.94Å; V11-D14 PolarHBondContact O-N 3.19Å
15	H	60.2	Low	66.4	Low	44 Å²	44	54.7 Å²	54.7	20%	0.204	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	8.6	179.3	-83	-44.1	0	0	0	115.3	V11 V12 V13 S17 R690 L694	V11-H15 WeakPolarHBondContact O-CB 3.35Å; V11-H15 PolarHBondContact O-CD2 3.47Å; V11-H15 PolarHBondContact O-N 3.17Å; V12-H15 PolarHBondContact O-N 2.69Å; V13-H15 VanDerWaalsContact C-N 3.34Å; V13-H15 PolarHBondContact O-N 3.04Å; H15-S17 PolarHBondContact O-N 3.36Å; H15-R690 PolarHBondContact O-N 3.5Å; H15-L694 HydrophobicContact CB-CD1 4.46Å
16	H	63.9	Low	67.2	Low	49 Å²	49	52.9 Å²	52.9	23%	0.227	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	112	165.5	-74.6	-60.5	0	0	0	110.2	V12 V13 Q687	V12-H16 PolarHBondContact O-CD2 3.08Å; V13-H16 PolarHBondContact O-CD2 2.88Å; H16-Q687 PolarHBondContact ND1-NE2 3.42Å; H16-Q687 VanDerWaalsContact ND1-NE2 3.14Å
17	S	72.5	Confident	67.8	Low	21 Å²	21	51.8 Å²	51.8	15%	0.147	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.1	171.2	57	0	0	0	0	110.2	H15 S688 R690	H15-S17 PolarHBondContact O-N 3.36Å; S17-S688 PolarHBondContact N-O 3.38Å; S17-S688 PolarHBondContact O-N 2.91Å; S17-S688 PolarHBondContact O-OG 2.83Å; S17-S688 PolarHBondContact OG-O 3.43Å; S17-S688 VanDerWaalsContact OG-O 3.08Å; S17-S688 PolarHBondContact OG-OG 2.87Å; S17-S688 VanDerWaalsContact OG-OG 3.08Å; S17-R690 WeakPolarHBondContact OG-CG 3.44Å
18	F	78.5	Confident	68	Low	35 Å²	35	49.5 Å²	49.5	15%	0.154	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	145.8	169.2	-64.7	-85.1	0	0	0	109.2	I614 L636 L685 V686 Q687	F18-I614 HydrophobicContact CE1-CD1 3.61Å; F18-I614 HydrophobicContact CZ-CD1 3.66Å; F18-L636 HydrophobicContact CB-CB 4.04Å; F18-L636 HydrophobicContact CD2-CB 4.23Å; F18-L636 HydrophobicContact CD2-CD1 4.19Å; F18-L636 HydrophobicContact CD2-CD2 3.86Å; F18-L636 HydrophobicContact CD2-CG 4.33Å; F18-L636 HydrophobicContact CE2-CD1 4.49Å; F18-L636 HydrophobicContact CE2-CD2 4.21Å; F18-L636 HydrophobicContact CG-CB 4.37Å; F18-L636 HydrophobicContact CG-CD1 4.47Å; F18-L636 VanDerWaalsContact O-O 3.11Å; F18-L685 HydrophobicContact CB-CD1 4.08Å; F18-L685 HydrophobicContact CD1-CD2 4.1Å; F18-L685 HydrophobicContact CD1-CG 4.15Å; F18-V686 WeakPolarHBondContact CA-O 3.39Å; F18-Q687 HydrophobicContact CD1-CB 4.07Å; F18-Q687 HydrophobicContact CD1-CG 4.21Å; F18-Q687 HydrophobicContact CE1-CB 3.84Å; F18-Q687 HydrophobicContact CE1-CG 3.76Å; F18-Q687 HydrophobicContact CZ-CG 4.14Å
19	S	80.3	Confident	67.9	Low	38 Å²	38	52.4 Å²	52.4	27%	0.266	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	135.4	173.4	60.1	0	0	0	0	109.5	V686	S19-V686 PolarHBondContact N-O 2.93Å; S19-V686 PolarHBondContact O-N 2.94Å
20	L	79.7	Confident	67	Low	9 Å²	9	53.5 Å²	53.5	5%	0.047	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	120.4	166.7	-79.9	147.3	0	0	0	108.2	V627 A637 H639 L672 F683 L685	L20-V627 HydrophobicContact CD1-CB 4.17Å; L20-V627 HydrophobicContact CD1-CG2 3.53Å; L20-V627 HydrophobicContact CD2-CG2 4.17Å; L20-V627 HydrophobicContact CG-CG2 4.25Å; L20-A637 HydrophobicContact CB-CB 4.4Å; L20-A637 HydrophobicContact CD1-CB 3.74Å; L20-A637 HydrophobicContact CG-CB 3.94Å; L20-H639 HydrophobicContact CB-CB 4.14Å; L20-H639 PolarHBondContact O-CD2 2.9Å; L20-L672 HydrophobicContact CD2-CD2 4.4Å; L20-F683 HydrophobicContact CB-CD1 4.21Å; L20-F683 HydrophobicContact CD2-CB 3.8Å; L20-F683 HydrophobicContact CD2-CD1 4.48Å; L20-F683 HydrophobicContact CD2-CG 4.33Å; L20-L685 HydrophobicContact CG-CD1 4.4Å
21	I	78.3	Confident	65.8	Low	33 Å²	33	54.4 Å²	54.4	17%	0.169	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.3	177.4	-56.6	-170	0	0	0	108.4	V23 V91 F683 A684 V686	I21-V23 PolarHBondContact O-N 2.86Å; I21-V91 HydrophobicContact CD1-CG1 4.08Å; I21-F683 WeakPolarHBondContact O-CA 3.45Å; I21-A684 PolarHBondContact N-O 2.85Å; I21-A684 PolarHBondContact O-N 2.66Å; I21-V686 HydrophobicContact CB-CG2 4.33Å; I21-V686 HydrophobicContact CD1-CB 4.02Å; I21-V686 HydrophobicContact CD1-CG1 4.4Å; I21-V686 HydrophobicContact CD1-CG2 3.79Å; I21-V686 HydrophobicContact CG1-CB 4.35Å; I21-V686 HydrophobicContact CG1-CG2 4.02Å
22	P	77.6	Confident	64.5	Low	43 Å²	43	64.1 Å²	64.1	28%	0.279	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	121.9	171.1	28.5	-32.2	0	0	0	108.9	V681 F683	P22-V681 HydrophobicContact CB-CG1 4.02Å; P22-F683 HydrophobicContact CB-CD1 4.23Å; P22-F683 HydrophobicContact CB-CE1 3.97Å
23	V	73.4	Confident	63.2	Low	8 Å²	8	72.1 Å²	72.1	5%	0.048	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-37.4	-177.7	-177.3	0	0	0	0	110.7	I21 L87 L102 G682 A684	I21-V23 PolarHBondContact O-N 2.86Å; V23-L87 HydrophobicContact CG1-CD1 3.86Å; V23-L87 HydrophobicContact CG1-CD2 3.75Å; V23-L87 HydrophobicContact CG1-CG 3.68Å; V23-L87 HydrophobicContact CG2-CD2 4.07Å; V23-L102 HydrophobicContact CG1-CD1 3.68Å; V23-G682 PolarHBondContact N-O 2.83Å; V23-A684 HydrophobicContact CG2-CB 3.39Å
24	W	74.4	Confident	61.7	Low	1 Å²	1	71.1 Å²	71.1	0%	0.004	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	155.8	179.9	53.8	-104.3	0	0	0	110.4	L26 L61 L81 F104 L673 V680 G682	W24-L26 HydrophobicContact CE3-CB 4.49Å; W24-L26 HydrophobicContact CZ3-CB 4.17Å; W24-L61 HydrophobicContact CH2-CD2 3.99Å; W24-L81 HydrophobicContact CZ2-CD2 3.71Å; W24-F104 HydrophobicContact CB-CE2 3.98Å; W24-F104 HydrophobicContact CB-CZ 4.28Å; W24-F104 HydrophobicContact CD2-CE1 4.36Å; W24-F104 AromaticContact CD2-CE2 3.75Å; W24-F104 HydrophobicContact CD2-CE2 3.75Å; W24-F104 AromaticContact CD2-CZ 3.28Å; W24-F104 HydrophobicContact CD2-CZ 3.28Å; W24-F104 AromaticContact CE2-CZ 3.59Å; W24-F104 HydrophobicContact CE3-CE1 4.5Å; W24-F104 AromaticContact CE3-CE2 3.53Å; W24-F104 HydrophobicContact CE3-CE2 3.53Å; W24-F104 AromaticContact CE3-CZ 3.25Å; W24-F104 HydrophobicContact CE3-CZ 3.25Å; W24-F104 AromaticContact CG-CE2 3.99Å; W24-F104 HydrophobicContact CG-CE2 3.99Å; W24-F104 AromaticContact CG-CZ 3.78Å; W24-F104 HydrophobicContact CG-CZ 3.78Å; W24-F104 HydrophobicContact CH2-CE1 4.36Å; W24-F104 AromaticContact CH2-CZ 3.68Å; W24-F104 HydrophobicContact CH2-CZ 3.68Å; W24-F104 HydrophobicContact CZ2-CE1 4.27Å; W24-F104 AromaticContact CZ2-CZ 3.76Å; W24-F104 HydrophobicContact CZ2-CZ 3.76Å; W24-F104 HydrophobicContact CZ3-CE2 4.03Å; W24-F104 AromaticContact CZ3-CZ 3.47Å; W24-F104 HydrophobicContact CZ3-CZ 3.47Å; W24-F104 VanDerWaalsContact CZ3-CZ 3.47Å; W24-L673 HydrophobicContact CH2-CD2 3.07Å; W24-L673 HydrophobicContact CZ2-CD2 3.19Å; W24-L673 HydrophobicContact CZ3-CD2 4.1Å; W24-V680 HydrophobicContact CH2-CG1 4Å; W24-V680 HydrophobicContact CZ3-CB 4.21Å; W24-V680 HydrophobicContact CZ3-CG1 3.85Å; W24-V680 WeakPolarHBondContact CZ3-O 3.41Å; W24-G682 PolarHBondContact O-N 2.77Å
25	A	74	Confident	60.3	Low	39 Å²	39	71.7 Å²	71.7	32%	0.322	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130	171.3	0	0	0	0	0	108.7	I679 V680	A25-I679 HydrophobicContact CB-CG2 4.2Å; A25-V680 CarbonylContact C-O 3.53Å; A25-V680 WeakPolarHBondContact CA-O 3.31Å
26	L	73	Confident	58.8	Low	16 Å²	16	77.7 Å²	77.7	8%	0.084	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	113.2	175.5	-171.4	85.4	0	0	0	108.7	W24 L28 L61 I63 F79 F104 I679 V680	W24-L26 HydrophobicContact CE3-CB 4.49Å; W24-L26 HydrophobicContact CZ3-CB 4.17Å; L26-L28 HydrophobicContact CD2-CD2 4.09Å; L26-L61 HydrophobicContact CD2-CD2 4.47Å; L26-I63 HydrophobicContact CD2-CD1 3.16Å; L26-F79 HydrophobicContact CD1-CD1 4.34Å; L26-F79 HydrophobicContact CD1-CE1 4.01Å; L26-F79 HydrophobicContact CD1-CE2 4.46Å; L26-F79 HydrophobicContact CD1-CZ 4.07Å; L26-F79 HydrophobicContact CD2-CD2 4.26Å; L26-F79 HydrophobicContact CD2-CE2 3.89Å; L26-F79 HydrophobicContact CD2-CZ 4.19Å; L26-F104 HydrophobicContact CB-CE2 4.04Å; L26-F104 HydrophobicContact CD1-CD2 3.64Å; L26-F104 HydrophobicContact CD1-CE2 3.92Å; L26-F104 HydrophobicContact CD1-CG 4.13Å; L26-I679 WeakPolarHBondContact O-CA 3.26Å; L26-V680 HydrophobicContact CB-CB 4.49Å; L26-V680 PolarHBondContact N-O 2.69Å; L26-V680 PolarHBondContact O-N 3.35Å
27	H	72.4	Confident	57.1	Low	132 Å²	132	84 Å²	84	61%	0.611	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	126.8	170.4	-76.1	-87.8	0	0	0	109.9	I679	H27-I679 WeakPolarHBondContact CE1-CD1 3.45Å
28	L	65.2	Low	54.9	Low	13 Å²	13	85.5 Å²	85.5	7%	0.068	46%	0.458	C	S	.	.			trans	-84.9	-19	-176.6	-61.3	169.4	0	0	0	112.6	L26 F46 I63 I65 D678 V680	L26-L28 HydrophobicContact CD2-CD2 4.09Å; L28-F46 HydrophobicContact CD1-CE1 4.38Å; L28-F46 HydrophobicContact CD1-CZ 3.97Å; L28-F46 HydrophobicContact CD2-CE1 4.16Å; L28-I63 HydrophobicContact CD2-CD1 4.13Å; L28-I63 HydrophobicContact CD2-CG2 4.07Å; L28-I65 HydrophobicContact CB-CD1 4.2Å; L28-I65 HydrophobicContact CD2-CD1 3.65Å; L28-I65 HydrophobicContact CD2-CG1 4.27Å; L28-D678 WeakPolarHBondContact CB-O 3.13Å; L28-D678 PolarHBondContact N-O 2.69Å; L28-V680 HydrophobicContact CD1-CG2 4.19Å; L28-V680 HydrophobicContact CD2-CG2 4.31Å; L28-V680 HydrophobicContact CG-CG2 4.49Å
29	K	59.4	Low	52.5	Low	118 Å²	118	89.5 Å²	89.5	51%	0.513	48%	0.481	S	S	.	.	S	Bend	trans	-83.6	115.3	174.9	-92.3	174.5	179.2	152.8	0	111.5	N31 D678	K29-N31 PolarHBondContact O-N 2.95Å; K29-D678 IonicContact NZ-OD1 2.86Å; K29-D678 IonicContact NZ-OD2 3.63Å; K29-D678 PolarHBondContact NZ-OD2 3.41Å
30	A	40.5	Very low	50.2	Low	96 Å²	96	88.5 Å²	88.5	79%	0.793	48%	0.477	S	S	*	.			trans	-72.2	107.9	167.2	0	0	0	0	0	109.6	R32	A30-R32 PolarHBondContact O-N 3.27Å
31	N	30	Very low	48	Very low	164 Å²	164	91.6 Å²	91.6	88%	0.877	49%	0.494	S	S	*	.			trans	-0.5	100.5	161.4	-90.1	-18.8	0	0	0	116	K29	K29-N31 PolarHBondContact O-N 2.95Å
32	R	31.8	Very low	46.3	Very low	236 Å²	236	91.3 Å²	91.3	89%	0.891	50%	0.495	S	S	*	.			trans	-141.8	130.2	142.7	-74.4	-165.3	176	173.8	-1.3	109.3	A30 A34	A30-R32 PolarHBondContact O-N 3.27Å; R32-A34 PolarHBondContact O-N 3.19Å
33	H	27.7	Very low	45.2	Very low	211 Å²	211	91.7 Å²	91.7	98%	0.977	49%	0.494	S	S	*	.			trans	-51.5	92.9	170.6	-62.4	-64.9	0	0	0	110.9
34	A	26.5	Very low	44.4	Very low	79 Å²	79	92.2 Å²	92.2	65%	0.653	50%	0.498	S	S	*	.			trans	-129.2	130.2	164.2	0	0	0	0	0	107.2	R32 I36	R32-A34 PolarHBondContact O-N 3.19Å; A34-I36 PolarHBondContact O-N 3.22Å
35	P	27.7	Very low	43.7	Very low	120 Å²	120	94 Å²	94	78%	0.779	51%	0.508	S	S	*	.			trans	-66.3	131.3	-179.8	29.8	-31.4	0	0	0	108.7	E37	P35-E37 PolarHBondContact O-N 2.79Å
36	I	28.4	Very low	43	Very low	170 Å²	170	94.5 Å²	94.5	87%	0.872	50%	0.503	S	S	*	.	S	Bend	trans	6.3	80.9	149.7	-48.2	169.8	0	0	0	113.7	A34	A34-I36 PolarHBondContact O-N 3.22Å
37	E	26.9	Very low	42.3	Very low	182 Å²	182	94.4 Å²	94.4	85%	0.85	50%	0.503	S	S	*	.			trans	-156.5	81.8	157.1	-106.3	168.9	-151.5	0	0	105.3	P35 D39	P35-E37 PolarHBondContact O-N 2.79Å; E37-D39 PolarHBondContact O-N 3.5Å; E37-D39 VanDerWaalsContact O-N 3.16Å
38	S	28.2	Very low	41.5	Very low	52 Å²	52	90.1 Å²	90.1	36%	0.364	49%	0.486	S	S	.	.			trans	-82.6	80.6	-178.6	59.6	0	0	0	0	109.8	G40 H572	S38-G40 PolarHBondContact O-N 3.02Å; S38-H572 PolarHBondContact O-NE2 3.24Å
39	D	27.1	Very low	41.2	Very low	119 Å²	119	91 Å²	91	64%	0.636	49%	0.491	S	S	*	.			trans	-68.5	101.5	160.1	-75.8	-16.4	0	0	0	107.1	E37 N41 N69	E37-D39 PolarHBondContact O-N 3.5Å; E37-D39 VanDerWaalsContact O-N 3.16Å; D39-N41 PolarHBondContact O-N 3.22Å; D39-N69 PolarHBondContact O-ND2 2.78Å
40	G	31.1	Very low	40.8	Very low	17 Å²	17	87.6 Å²	87.6	18%	0.175	48%	0.48	C	S	.	.			trans	-72.9	120.3	-172.2	0	0	0	0	0	110.9	S38 H580	S38-G40 PolarHBondContact O-N 3.02Å; G40-H580 PolarHBondContact O-CE1 2.9Å; G40-H580 PolarHBondContact O-NE2 3.45Å
41	N	35.1	Very low	41.3	Very low	75 Å²	75	84.8 Å²	84.8	40%	0.401	45%	0.452	S	S	.	.			trans	-152.9	52.3	164.4	-128.2	-9.6	0	0	0	109.7	D39 N43 K178	D39-N41 PolarHBondContact O-N 3.22Å; N41-N43 PolarHBondContact O-N 2.78Å; N41-K178 PolarHBondContact OD1-NZ 2.9Å
42	S	42.5	Very low	42.2	Very low	27 Å²	27	83.4 Å²	83.4	19%	0.189	44%	0.435	C	S	.	.			trans	-79.5	84.7	179.3	66.8	0	0	0	0	110.7	S44 N677	S42-S44 PolarHBondContact O-N 2.99Å; S42-N677 PolarHBondContact OG-OD1 3.34Å
43	N	53.4	Low	42.9	Very low	50 Å²	50	74.4 Å²	74.4	27%	0.267	41%	0.408	S	S	.	.			trans	-75.4	69.3	170.7	-72.2	-8.3	0	0	0	110.5	N41 P66 K178	N41-N43 PolarHBondContact O-N 2.78Å; N43-P66 WeakPolarHBondContact O-CD 3.4Å; N43-K178 WeakPolarHBondContact OD1-CE 3.14Å; N43-K178 PolarHBondContact OD1-NZ 2.99Å
44	S	57.4	Low	43.6	Very low	20 Å²	20	68.2 Å²	68.2	14%	0.14	39%	0.389	C	S	.	.			trans	-90.8	122.5	176.7	52.1	0	0	0	0	111.3	S42 F46 A64	S42-S44 PolarHBondContact O-N 2.99Å; S44-F46 WeakPolarHBondContact O-CE2 3.44Å; S44-F46 VanDerWaalsContact OG-CE2 3.28Å; S44-F46 WeakPolarHBondContact OG-CE2 3.18Å; S44-F46 WeakPolarHBondContact OG-CZ 3.45Å; S44-A64 VanDerWaalsContact CA-O 3.31Å; S44-A64 WeakPolarHBondContact CA-O 3.5Å
45	L	59.2	Low	44.2	Very low	38 Å²	38	74.2 Å²	74.2	20%	0.199	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	132.6	171	-67.9	169.9	0	0	0	109.7	I63 A64 P116 L119	L45-I63 WeakPolarHBondContact O-CA 3.3Å; L45-A64 HydrophobicContact CB-CB 4.32Å; L45-A64 PolarHBondContact N-O 2.87Å; L45-A64 VanDerWaalsContact N-O 3.1Å; L45-A64 PolarHBondContact O-N 2.98Å; L45-P116 HydrophobicContact CD1-CB 3.91Å; L45-P116 HydrophobicContact CD1-CG 4.2Å; L45-P116 VanDerWaalsContact CD1-O 3.29Å; L45-P116 WeakPolarHBondContact CD1-O 3.22Å; L45-L119 HydrophobicContact CB-CB 4.14Å; L45-L119 HydrophobicContact CD1-CB 4.4Å
46	F	59.5	Low	45.2	Very low	50 Å²	50	73.5 Å²	73.5	22%	0.219	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.6	-179.9	-55	-75.9	0	0	0	110.7	L28 S44 I63 I650 P675 V680	L28-F46 HydrophobicContact CD1-CE1 4.38Å; L28-F46 HydrophobicContact CD1-CZ 3.97Å; L28-F46 HydrophobicContact CD2-CE1 4.16Å; S44-F46 WeakPolarHBondContact O-CE2 3.44Å; S44-F46 VanDerWaalsContact OG-CE2 3.28Å; S44-F46 WeakPolarHBondContact OG-CE2 3.18Å; S44-F46 WeakPolarHBondContact OG-CZ 3.45Å; F46-I63 HydrophobicContact CD1-CB 4.4Å; F46-I63 HydrophobicContact CD1-CD1 4.17Å; F46-I63 HydrophobicContact CD1-CG1 4Å; F46-I63 HydrophobicContact CD1-CG2 3.78Å; F46-I63 HydrophobicContact CE1-CD1 4.11Å; F46-I63 HydrophobicContact CE1-CG1 4.33Å; F46-I63 HydrophobicContact CE1-CG2 3.61Å; F46-I650 HydrophobicContact CB-CD1 4.42Å; F46-P675 HydrophobicContact CE2-CB 3.98Å; F46-V680 HydrophobicContact CD1-CG2 4.2Å; F46-V680 HydrophobicContact CE1-CG2 3.31Å; F46-V680 HydrophobicContact CE2-CG2 4.42Å; F46-V680 HydrophobicContact CZ-CG2 3.43Å; F46-V680 VanDerWaalsContact CZ-CG2 3.43Å
47	S	59.1	Low	46.3	Very low	13 Å²	13	68.1 Å²	68.1	9%	0.091	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	128.6	165.4	179.5	0	0	0	0	109.6	S62 K120 S121	S47-S62 PolarHBondContact N-O 2.65Å; S47-S62 WeakPolarHBondContact O-CA 3.26Å; S47-S62 WeakPolarHBondContact O-CB 3.26Å; S47-S62 PolarHBondContact O-N 3.5Å; S47-K120 WeakPolarHBondContact OG-CA 3.3Å; S47-S121 PolarHBondContact OG-N 2.98Å; S47-S121 PolarHBondContact OG-OG 2.99Å
48	T	55.2	Low	47.9	Very low	42 Å²	42	60 Å²	60	26%	0.258	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.9	178.3	51.2	0	0	0	0	110.1	Y60 L61 I652 L673	T48-Y60 WeakPolarHBondContact CA-O 3.36Å; T48-L61 HydrophobicContact CG2-CD1 3.48Å; T48-L61 VanDerWaalsContact CG2-CD1 3.48Å; T48-I652 HydrophobicContact CG2-CD1 3.9Å; T48-I652 HydrophobicContact CG2-CG1 4.14Å; T48-L673 HydrophobicContact CG2-CD1 3.7Å
49	I	57.7	Low	49.6	Very low	33 Å²	33	58.1 Å²	58.1	17%	0.169	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.4	171	-114.9	-171.7	0	0	0	112.7	I59 Y60 S121 L122 F123 L128	I49-I59 CarbonylContact O-C 3.54Å; I49-I59 WeakPolarHBondContact O-CA 3.43Å; I49-I59 WeakPolarHBondContact O-CG2 3.49Å; I49-Y60 HydrophobicContact CG2-CD2 4.39Å; I49-Y60 PolarHBondContact N-O 2.8Å; I49-Y60 PolarHBondContact O-N 2.8Å; I49-S121 WeakPolarHBondContact CD1-O 3.21Å; I49-L122 HydrophobicContact CD1-CB 4.39Å; I49-F123 HydrophobicContact CD1-CD2 4.42Å; I49-F123 HydrophobicContact CG2-CD2 3.4Å; I49-F123 VanDerWaalsContact CG2-CD2 3.4Å; I49-F123 HydrophobicContact CG2-CE2 3.32Å; I49-L128 HydrophobicContact CG2-CD1 3.81Å
50	T	52.6	Low	51.6	Low	46 Å²	46	54.1 Å²	54.1	28%	0.282	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.7	176.7	54.3	0	0	0	0	108.9	Y52 I59 I652	T50-Y52 VanDerWaalsContact OG1-CE2 3.28Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.41Å; T50-I59 HydrophobicContact CG2-CG1 4.2Å; T50-I59 HydrophobicContact CG2-CG2 4.25Å; T50-I652 HydrophobicContact CG2-CG2 4.09Å
51	D	50.1	Low	53.4	Low	36 Å²	36	53.4 Å²	53.4	19%	0.193	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	132.5	171.4	-167.6	5.7	0	0	0	111	S58 Y60 F123	D51-S58 WeakPolarHBondContact CB-O 3.49Å; D51-S58 PolarHBondContact N-O 2.87Å; D51-Y60 HydrophobicContact CB-CD2 4.37Å; D51-Y60 HydrophobicContact CB-CE2 3.87Å; D51-F123 HydrophobicContact CB-CD2 4.11Å; D51-F123 HydrophobicContact CB-CE1 4.38Å; D51-F123 HydrophobicContact CB-CE2 3.37Å; D51-F123 HydrophobicContact CB-CZ 3.53Å; D51-F123 VanDerWaalsContact CG-CZ 3.48Å
52	Y	49.4	Very low	55.1	Low	136 Å²	136	49.8 Å²	49.8	53%	0.533	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	67.2	176.5	-70.8	-91.1	0	0	0	109.7	T50 A655	T50-Y52 VanDerWaalsContact OG1-CE2 3.28Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.41Å; Y52-A655 HydrophobicContact CE1-CB 3.37Å; Y52-A655 WeakPolarHBondContact OH-CB 3.35Å
53	S	45.2	Very low	56.4	Low	46 Å²	46	48.5 Å²	48.5	32%	0.322	24%	0.243	S	C	.	.			trans	-80.1	145.9	165.8	88.6	0	0	0	0	110.1	Y55 N56	S53-Y55 PolarHBondContact O-N 2.87Å; S53-N56 PolarHBondContact OG-N 3.4Å; S53-N56 VanDerWaalsContact OG-N 3.1Å; S53-N56 PolarHBondContact OG-O 2.86Å
54	S	43.2	Very low	57.1	Low	82 Å²	82	46.4 Å²	46.4	57%	0.573	23%	0.233	S	C	*	.	S	Bend	trans	-57.7	-14	-175.6	43.1	0	0	0	0	115.1
55	Y	39.4	Very low	57.7	Low	205 Å²	205	47 Å²	47	80%	0.804	23%	0.234	S	C	*	.	S	Bend	trans	-133.6	-18.5	-175.8	-66.9	-77.3	0	0	0	115.3	S53	S53-Y55 PolarHBondContact O-N 2.87Å
56	N	48.5	Very low	57.9	Low	105 Å²	105	46.2 Å²	46.2	56%	0.561	23%	0.231	S	C	*	.			trans	-147.2	112.6	179	-87.7	-27.4	0	0	0	112.1	S53 M83	S53-N56 PolarHBondContact OG-N 3.4Å; S53-N56 VanDerWaalsContact OG-N 3.1Å; S53-N56 PolarHBondContact OG-O 2.86Å; N56-M83 HydrophobicContact CB-CE 4.16Å
57	W	52	Low	58	Low	57 Å²	57	49.1 Å²	49.1	22%	0.216	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	130.9	169.3	-42.4	-26.3	0	0	0	110.7	M83 A655 L656 S657	W57-M83 HydrophobicContact CB-CE 4.15Å; W57-M83 VanDerWaalsContact O-CE 3.27Å; W57-M83 WeakPolarHBondContact O-CE 3.28Å; W57-M83 WeakPolarHBondContact O-CG 3.34Å; W57-A655 VanDerWaalsContact CH2-O 3.25Å; W57-A655 WeakPolarHBondContact CH2-O 3.4Å; W57-A655 WeakPolarHBondContact CZ3-O 3Å; W57-L656 HydrophobicContact CH2-CB 4.3Å; W57-L656 HydrophobicContact CH2-CD1 4.27Å; W57-L656 HydrophobicContact CH2-CG 4.06Å; W57-L656 HydrophobicContact CZ3-CD1 4.11Å; W57-L656 HydrophobicContact CZ3-CG 4.35Å; W57-S657 VanDerWaalsContact CZ2-CA 3.41Å; W57-S657 WeakPolarHBondContact CZ2-O 3.39Å; W57-S657 WeakPolarHBondContact CZ2-OG 3.39Å; W57-S657 PolarHBondContact NE1-OG 3.44Å
58	S	60.3	Low	57.8	Low	10 Å²	10	51.7 Å²	51.7	7%	0.07	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.1	173.8	44.5	0	0	0	0	107.8	D51 Y60 Q80	D51-S58 WeakPolarHBondContact CB-O 3.49Å; D51-S58 PolarHBondContact N-O 2.87Å; S58-Y60 WeakPolarHBondContact OG-CE2 3.13Å; S58-Y60 PolarHBondContact OG-OH 2.91Å; S58-Q80 VanDerWaalsContact CB-NE2 3.31Å
59	I	63.5	Low	57.5	Low	13 Å²	13	53.9 Å²	53.9	7%	0.067	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.2	175	-51.5	164	0	0	0	106.7	I49 T50 Q80 L81 I652 L654	I49-I59 CarbonylContact O-C 3.54Å; I49-I59 WeakPolarHBondContact O-CA 3.43Å; I49-I59 WeakPolarHBondContact O-CG2 3.49Å; T50-I59 HydrophobicContact CG2-CG1 4.2Å; T50-I59 HydrophobicContact CG2-CG2 4.25Å; I59-Q80 WeakPolarHBondContact O-CA 3.07Å; I59-L81 HydrophobicContact CB-CB 3.96Å; I59-L81 HydrophobicContact CB-CD1 3.68Å; I59-L81 HydrophobicContact CB-CG 4.44Å; I59-L81 HydrophobicContact CG2-CD1 3.44Å; I59-L81 VanDerWaalsContact CG2-CD1 3.44Å; I59-L81 PolarHBondContact O-N 3.17Å; I59-I652 HydrophobicContact CD1-CG2 3.88Å; I59-I652 HydrophobicContact CG2-CD1 4.44Å; I59-I652 HydrophobicContact CG2-CG2 4Å; I59-L654 HydrophobicContact CD1-CD2 3.18Å; I59-L654 HydrophobicContact CD1-CG 3.66Å; I59-L654 HydrophobicContact CG1-CD2 4.43Å
60	Y	68.7	Low	57.3	Low	36 Å²	36	56.5 Å²	56.5	14%	0.141	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.2	178.8	-62.2	-91.6	0	0	0	108.8	T48 I49 D51 S58 F79 Q80 I107 F123 L128	T48-Y60 WeakPolarHBondContact CA-O 3.36Å; I49-Y60 HydrophobicContact CG2-CD2 4.39Å; I49-Y60 PolarHBondContact N-O 2.8Å; I49-Y60 PolarHBondContact O-N 2.8Å; D51-Y60 HydrophobicContact CB-CD2 4.37Å; D51-Y60 HydrophobicContact CB-CE2 3.87Å; S58-Y60 WeakPolarHBondContact OG-CE2 3.13Å; S58-Y60 PolarHBondContact OG-OH 2.91Å; Y60-F79 CarbonylContact C-O 3.57Å; Y60-F79 WeakPolarHBondContact CA-O 3.28Å; Y60-Q80 HydrophobicContact CE1-CG 4.36Å; Y60-I107 HydrophobicContact CD1-CD1 3.25Å; Y60-I107 HydrophobicContact CE1-CD1 3.31Å; Y60-I107 HydrophobicContact CE1-CG1 4.5Å; Y60-F123 AromaticContact CD2-CE2 3.74Å; Y60-F123 HydrophobicContact CD2-CE2 3.74Å; Y60-F123 AromaticContact CD2-CZ 3.77Å; Y60-F123 HydrophobicContact CD2-CZ 3.77Å; Y60-F123 AromaticContact CE2-CE2 3.9Å; Y60-F123 HydrophobicContact CE2-CE2 3.9Å; Y60-F123 AromaticContact CE2-CZ 3.5Å; Y60-F123 HydrophobicContact CE2-CZ 3.5Å; Y60-L128 HydrophobicContact CD1-CD2 3.79Å; Y60-L128 HydrophobicContact CE1-CD2 4.37Å; Y60-L128 HydrophobicContact CG-CD2 3.9Å
61	L	69.5	Low	57.3	Low	1 Å²	1	55.4 Å²	55.4	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115.2	169.4	175.7	68.2	0	0	0	107.9	W24 L26 T48 I63 A78 F79 L81	W24-L61 HydrophobicContact CH2-CD2 3.99Å; L26-L61 HydrophobicContact CD2-CD2 4.47Å; T48-L61 HydrophobicContact CG2-CD1 3.48Å; T48-L61 VanDerWaalsContact CG2-CD1 3.48Å; L61-I63 HydrophobicContact CD1-CG1 4.35Å; L61-I63 HydrophobicContact CD2-CD1 3.75Å; L61-I63 HydrophobicContact CD2-CG1 4.24Å; L61-I63 HydrophobicContact CG-CD1 3.93Å; L61-I63 HydrophobicContact CG-CG1 3.84Å; L61-A78 WeakPolarHBondContact O-CA 3.46Å; L61-F79 HydrophobicContact CB-CB 4.37Å; L61-F79 PolarHBondContact N-O 2.83Å; L61-F79 PolarHBondContact O-N 3.08Å; L61-L81 HydrophobicContact CB-CD1 4.44Å
62	S	71.2	Confident	57.9	Low	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128.8	178.7	-41	0	0	0	0	108.8	S47 A77 Y130	S47-S62 PolarHBondContact N-O 2.65Å; S47-S62 WeakPolarHBondContact O-CA 3.26Å; S47-S62 WeakPolarHBondContact O-CB 3.26Å; S47-S62 PolarHBondContact O-N 3.5Å; S62-A77 WeakPolarHBondContact CA-O 3.26Å; S62-Y130 VanDerWaalsContact OG-CE1 3.29Å; S62-Y130 WeakPolarHBondContact OG-CE1 3.01Å
63	I	69.7	Low	58.6	Low	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	126	-174.8	-43.7	-176.7	0	0	0	109.4	L26 L28 L45 F46 L61 I65 L76 A77 F79	L26-I63 HydrophobicContact CD2-CD1 3.16Å; L28-I63 HydrophobicContact CD2-CD1 4.13Å; L28-I63 HydrophobicContact CD2-CG2 4.07Å; L45-I63 WeakPolarHBondContact O-CA 3.3Å; F46-I63 HydrophobicContact CD1-CB 4.4Å; F46-I63 HydrophobicContact CD1-CD1 4.17Å; F46-I63 HydrophobicContact CD1-CG1 4Å; F46-I63 HydrophobicContact CD1-CG2 3.78Å; F46-I63 HydrophobicContact CE1-CD1 4.11Å; F46-I63 HydrophobicContact CE1-CG1 4.33Å; F46-I63 HydrophobicContact CE1-CG2 3.61Å; L61-I63 HydrophobicContact CD1-CG1 4.35Å; L61-I63 HydrophobicContact CD2-CD1 3.75Å; L61-I63 HydrophobicContact CD2-CG1 4.24Å; L61-I63 HydrophobicContact CG-CD1 3.93Å; L61-I63 HydrophobicContact CG-CG1 3.84Å; I63-I65 HydrophobicContact CB-CG1 4.31Å; I63-I65 HydrophobicContact CG2-CD1 3.92Å; I63-I65 HydrophobicContact CG2-CG1 3.49Å; I63-I65 VanDerWaalsContact CG2-CG1 3.49Å; I63-L76 CarbonylContact O-C 3.58Å; I63-L76 WeakPolarHBondContact O-CA 3.15Å; I63-A77 PolarHBondContact N-O 2.91Å; I63-A77 PolarHBondContact O-N 3.28Å; I63-F79 HydrophobicContact CD1-CD2 3.9Å; I63-F79 HydrophobicContact CD1-CE2 3.73Å; I63-F79 HydrophobicContact CG1-CD2 4.18Å; I63-F79 HydrophobicContact CG1-CE2 4.15Å
64	A	67.3	Low	59.8	Low	5 Å²	5	52 Å²	52	4%	0.041	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.5	166.3	0	0	0	0	0	109.1	S44 L45 D75 L76 P116 L119	S44-A64 VanDerWaalsContact CA-O 3.31Å; S44-A64 WeakPolarHBondContact CA-O 3.5Å; L45-A64 HydrophobicContact CB-CB 4.32Å; L45-A64 PolarHBondContact N-O 2.87Å; L45-A64 VanDerWaalsContact N-O 3.1Å; L45-A64 PolarHBondContact O-N 2.98Å; A64-D75 WeakPolarHBondContact CA-O 3.44Å; A64-L76 HydrophobicContact CB-CD1 4.25Å; A64-P116 HydrophobicContact CB-CG 3.95Å; A64-L119 HydrophobicContact CB-CD2 4.34Å
65	I	69.6	Low	61.2	Low	32 Å²	32	50.3 Å²	50.3	16%	0.164	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.1	-175.3	-50.2	174.6	0	0	0	109	L28 I63 K67 Y74 D75	L28-I65 HydrophobicContact CB-CD1 4.2Å; L28-I65 HydrophobicContact CD2-CD1 3.65Å; L28-I65 HydrophobicContact CD2-CG1 4.27Å; I63-I65 HydrophobicContact CB-CG1 4.31Å; I63-I65 HydrophobicContact CG2-CD1 3.92Å; I63-I65 HydrophobicContact CG2-CG1 3.49Å; I63-I65 VanDerWaalsContact CG2-CG1 3.49Å; I65-K67 PolarHBondContact O-N 3.24Å; I65-Y74 CarbonylContact O-C 3.58Å; I65-Y74 WeakPolarHBondContact O-CA 3.36Å; I65-D75 PolarHBondContact N-O 3.14Å; I65-D75 PolarHBondContact O-N 2.97Å
66	P	63.2	Low	62.9	Low	22 Å²	22	40.7 Å²	40.7	14%	0.143	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	134.3	171	25.7	-32	0	0	0	110.4	N43 S68 Y74	N43-P66 WeakPolarHBondContact O-CD 3.4Å; P66-S68 VanDerWaalsContact C-N 3.34Å; P66-S68 PolarHBondContact O-N 2.76Å; P66-Y74 HydrophobicContact CB-CD1 4.02Å; P66-Y74 HydrophobicContact CB-CE1 3.72Å; P66-Y74 HydrophobicContact CG-CE1 4.31Å
67	K	62.6	Low	64	Low	112 Å²	112	36 Å²	36	49%	0.487	22%	0.216	S	C	.	.	S	Bend	trans	-70.6	-32.6	-176	-151.6	170.2	-163.6	149.3	0	112.6	I65 L73 D75	I65-K67 PolarHBondContact O-N 3.24Å; K67-L73 HydrophobicContact CB-CB 4.03Å; K67-L73 WeakPolarHBondContact CB-O 3.46Å; K67-L73 HydrophobicContact CD-CB 4.24Å; K67-L73 PolarHBondContact N-O 2.86Å; K67-D75 IonicContact NZ-OD1 3.51Å; K67-D75 PolarHBondContact NZ-OD1 3Å; K67-D75 VanDerWaalsContact NZ-OD1 3.13Å; K67-D75 IonicContact NZ-OD2 3.13Å
68	S	54.9	Low	64.9	Low	67 Å²	67	33.3 Å²	33.3	47%	0.469	21%	0.206	S	C	.	.	S	Bend	trans	-150.9	158	167.1	60.6	0	0	0	0	110.4	P66 G70 S71	P66-S68 VanDerWaalsContact C-N 3.34Å; P66-S68 PolarHBondContact O-N 2.76Å; S68-G70 PolarHBondContact O-N 2.67Å; S68-S71 PolarHBondContact N-OG 3.16Å; S68-S71 VanDerWaalsContact N-OG 3.15Å; S68-S71 PolarHBondContact O-N 3.43Å; S68-S71 VanDerWaalsContact O-N 3.07Å; S68-S71 PolarHBondContact O-OG 3.43Å; S68-S71 VanDerWaalsContact OG-CB 3.22Å; S68-S71 WeakPolarHBondContact OG-CB 3.39Å; S68-S71 PolarHBondContact OG-OG 2.83Å
69	N	49.7	Very low	65.3	Low	87 Å²	87	34 Å²	34	47%	0.465	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	125.8	173.4	-80.5	-7.6	0	0	0	110.7	D39 S71	D39-N69 PolarHBondContact O-ND2 2.78Å; N69-S71 VanDerWaalsContact C-N 3.29Å; N69-S71 PolarHBondContact O-N 2.86Å
70	G	51.9	Low	65.7	Low	88 Å²	88	36.3 Å²	36.3	91%	0.907	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.8	1.8	179.3	0	0	0	0	0	115.8	S68	S68-G70 PolarHBondContact O-N 2.67Å
71	S	53.8	Low	65.6	Low	23 Å²	23	34.9 Å²	34.9	16%	0.161	21%	0.213	C	C	.	.			trans	-83	139	173.2	67.2	0	0	0	0	111.7	S68 N69 L73	S68-S71 PolarHBondContact N-OG 3.16Å; S68-S71 VanDerWaalsContact N-OG 3.15Å; S68-S71 PolarHBondContact O-N 3.43Å; S68-S71 VanDerWaalsContact O-N 3.07Å; S68-S71 PolarHBondContact O-OG 3.43Å; S68-S71 VanDerWaalsContact OG-CB 3.22Å; S68-S71 WeakPolarHBondContact OG-CB 3.39Å; S68-S71 PolarHBondContact OG-OG 2.83Å; N69-S71 VanDerWaalsContact C-N 3.29Å; N69-S71 PolarHBondContact O-N 2.86Å; S71-L73 PolarHBondContact O-N 2.83Å; S71-L73 VanDerWaalsContact O-N 3.08Å; S71-L73 PolarHBondContact OG-O 3.16Å
72	S	62.4	Low	65	Low	74 Å²	74	36.6 Å²	36.6	52%	0.517	22%	0.224	S	C	.	.	S	Bend	trans	-69.1	4.6	167.5	59.6	0	0	0	0	113.9	N113 R114	S72-N113 CarbonylContact O-C 3.54Å; S72-N113 WeakPolarHBondContact O-CA 3.48Å; S72-R114 PolarHBondContact O-N 2.86Å; S72-R114 VanDerWaalsContact O-N 3.08Å
73	L	65.1	Low	64.3	Low	58 Å²	58	40.3 Å²	40.3	30%	0.304	24%	0.242	S	C	.	.			trans	-96.6	119.4	-178.8	-81.1	159.9	0	0	0	110	K67 S71 F112 N113	K67-L73 HydrophobicContact CB-CB 4.03Å; K67-L73 WeakPolarHBondContact CB-O 3.46Å; K67-L73 HydrophobicContact CD-CB 4.24Å; K67-L73 PolarHBondContact N-O 2.86Å; S71-L73 PolarHBondContact O-N 2.83Å; S71-L73 VanDerWaalsContact O-N 3.08Å; S71-L73 PolarHBondContact OG-O 3.16Å; L73-F112 CarbonylContact C-O 3.54Å; L73-F112 VanDerWaalsContact CA-O 3.3Å; L73-F112 WeakPolarHBondContact CA-O 3.37Å; L73-N113 WeakPolarHBondContact CD2-OD1 3.46Å; L73-N113 WeakPolarHBondContact CG-OD1 3.3Å
74	Y	69.9	Low	63.6	Low	16 Å²	16	40.8 Å²	40.8	6%	0.063	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.7	176.9	-70.8	-101.1	0	0	0	109.9	I65 P66 S111 F112 R114 E115 P116	I65-Y74 CarbonylContact O-C 3.58Å; I65-Y74 WeakPolarHBondContact O-CA 3.36Å; P66-Y74 HydrophobicContact CB-CD1 4.02Å; P66-Y74 HydrophobicContact CB-CE1 3.72Å; P66-Y74 HydrophobicContact CG-CE1 4.31Å; Y74-S111 CarbonylContact O-C 3.44Å; Y74-S111 VanDerWaalsContact O-CA 3.31Å; Y74-S111 WeakPolarHBondContact O-CA 3.44Å; Y74-F112 PolarHBondContact N-O 2.74Å; Y74-F112 PolarHBondContact O-N 3.35Å; Y74-R114 WeakPolarHBondContact CD2-O 3.45Å; Y74-E115 VanDerWaalsContact CE2-CA 3.5Å; Y74-E115 HydrophobicContact CE2-CB 3.85Å; Y74-E115 HydrophobicContact CE2-CG 4.11Å; Y74-E115 WeakPolarHBondContact OH-CG 3.22Å; Y74-E115 PolarHBondContact OH-OE1 2.81Å; Y74-P116 HydrophobicContact CD1-CG 3.68Å; Y74-P116 VanDerWaalsContact CD2-CD 3.49Å; Y74-P116 HydrophobicContact CE1-CG 4.14Å; Y74-P116 HydrophobicContact CG-CG 3.89Å
75	D	71.8	Confident	62.9	Low	45 Å²	45	48.6 Å²	48.6	24%	0.241	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.7	172.1	-71.2	-9.5	0	0	0	108.3	A64 I65 K67 N110 S111	A64-D75 WeakPolarHBondContact CA-O 3.44Å; I65-D75 PolarHBondContact N-O 3.14Å; I65-D75 PolarHBondContact O-N 2.97Å; K67-D75 IonicContact NZ-OD1 3.51Å; K67-D75 PolarHBondContact NZ-OD1 3Å; K67-D75 VanDerWaalsContact NZ-OD1 3.13Å; K67-D75 IonicContact NZ-OD2 3.13Å; D75-N110 CarbonylContact C-O 3.57Å; D75-N110 WeakPolarHBondContact CA-O 3.4Å; D75-S111 WeakPolarHBondContact OD1-CB 3.04Å
76	L	74.4	Confident	62.1	Low	3 Å²	3	49.2 Å²	49.2	2%	0.016	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	120.5	167.9	177.3	62.7	0	0	0	108	I63 A64 S109 N110 F112 L119 Y130 L157	I63-L76 CarbonylContact O-C 3.58Å; I63-L76 WeakPolarHBondContact O-CA 3.15Å; A64-L76 HydrophobicContact CB-CD1 4.25Å; L76-S109 CarbonylContact O-C 3.57Å; L76-S109 WeakPolarHBondContact O-CA 3.38Å; L76-N110 PolarHBondContact N-O 3.46Å; L76-N110 PolarHBondContact O-N 3.45Å; L76-F112 HydrophobicContact CB-CD2 4.17Å; L76-F112 HydrophobicContact CB-CE2 3.3Å; L76-F112 HydrophobicContact CB-CZ 4.01Å; L76-F112 HydrophobicContact CD2-CE2 3.7Å; L76-F112 HydrophobicContact CD2-CZ 4.01Å; L76-F112 HydrophobicContact CG-CE2 4.13Å; L76-L119 HydrophobicContact CD1-CD1 3.97Å; L76-L119 HydrophobicContact CD1-CD2 3.7Å; L76-L119 HydrophobicContact CD2-CD1 4.45Å; L76-Y130 HydrophobicContact CD2-CG 4.43Å; L76-L157 HydrophobicContact CD2-CD2 3.57Å; L76-L157 HydrophobicContact CG-CD2 3.99Å; L76-L157 WeakPolarHBondContact O-CD1 3.14Å
77	A	72.4	Confident	61.7	Low	7 Å²	7	48.3 Å²	48.3	6%	0.058	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	137.4	178.1	0	0	0	0	0	110.4	S62 I63 F79 Q108	S62-A77 WeakPolarHBondContact CA-O 3.26Å; I63-A77 PolarHBondContact N-O 2.91Å; I63-A77 PolarHBondContact O-N 3.28Å; A77-F79 HydrophobicContact CB-CD2 4.48Å; A77-F79 HydrophobicContact CB-CE2 3.68Å; A77-F79 HydrophobicContact CB-CZ 3.9Å; A77-Q108 WeakPolarHBondContact CA-O 3.35Å
78	A	70.4	Confident	61.4	Low	0 Å²	0	47 Å²	47	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.5	172.2	0	0	0	0	0	110	L61 I107 Q108 Y130	L61-A78 WeakPolarHBondContact O-CA 3.46Å; A78-I107 HydrophobicContact CB-CD1 4.26Å; A78-I107 PolarHBondContact O-N 2.85Å; A78-Q108 PolarHBondContact N-O 2.93Å; A78-Q108 VanDerWaalsContact N-O 3.08Å; A78-Y130 HydrophobicContact CB-CE1 4.31Å; A78-Y130 WeakPolarHBondContact CB-OH 3.46Å
79	F	70.4	Confident	61.2	Low	24 Å²	24	49 Å²	49	11%	0.105	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.8	-179.6	-60.9	-83.2	0	0	0	109.9	L26 Y60 L61 I63 A77 F104 K106	L26-F79 HydrophobicContact CD1-CD1 4.34Å; L26-F79 HydrophobicContact CD1-CE1 4.01Å; L26-F79 HydrophobicContact CD1-CE2 4.46Å; L26-F79 HydrophobicContact CD1-CZ 4.07Å; L26-F79 HydrophobicContact CD2-CD2 4.26Å; L26-F79 HydrophobicContact CD2-CE2 3.89Å; L26-F79 HydrophobicContact CD2-CZ 4.19Å; Y60-F79 CarbonylContact C-O 3.57Å; Y60-F79 WeakPolarHBondContact CA-O 3.28Å; L61-F79 HydrophobicContact CB-CB 4.37Å; L61-F79 PolarHBondContact N-O 2.83Å; L61-F79 PolarHBondContact O-N 3.08Å; I63-F79 HydrophobicContact CD1-CD2 3.9Å; I63-F79 HydrophobicContact CD1-CE2 3.73Å; I63-F79 HydrophobicContact CG1-CD2 4.18Å; I63-F79 HydrophobicContact CG1-CE2 4.15Å; A77-F79 HydrophobicContact CB-CD2 4.48Å; A77-F79 HydrophobicContact CB-CE2 3.68Å; A77-F79 HydrophobicContact CB-CZ 3.9Å; F79-F104 HydrophobicContact CB-CB 4.41Å; F79-F104 HydrophobicContact CB-CD1 3.84Å; F79-F104 HydrophobicContact CB-CE1 4.49Å; F79-F104 HydrophobicContact CB-CG 4.45Å; F79-F104 HydrophobicContact CD1-CB 3.85Å; F79-F104 HydrophobicContact CD1-CG 4.38Å; F79-F104 HydrophobicContact CG-CB 4.49Å; F79-F104 HydrophobicContact CG-CD1 4.44Å; F79-K106 HydrophobicContact CD1-CB 4.13Å; F79-K106 HydrophobicContact CD1-CG 4.46Å; F79-K106 HydrophobicContact CE1-CB 4.05Å; F79-K106 HydrophobicContact CE1-CG 4.16Å
80	Q	70.9	Confident	61.3	Low	62 Å²	62	46 Å²	46	29%	0.29	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.8	167.9	-163.4	174.9	-9.9	0	0	109.1	S58 I59 Y60 Q105 I107	S58-Q80 VanDerWaalsContact CB-NE2 3.31Å; I59-Q80 WeakPolarHBondContact O-CA 3.07Å; Y60-Q80 HydrophobicContact CE1-CG 4.36Å; Q80-Q105 HydrophobicContact CB-CB 4.43Å; Q80-Q105 PolarHBondContact N-O 3.41Å; Q80-Q105 PolarHBondContact O-N 3.19Å; Q80-I107 HydrophobicContact CB-CD1 3.94Å; Q80-I107 HydrophobicContact CB-CG1 4.04Å
81	L	66	Low	61.3	Low	7 Å²	7	42.4 Å²	42.4	4%	0.037	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	140.3	171.3	-77.6	146.8	0	0	0	110.1	W24 I59 L61 F104 I652	W24-L81 HydrophobicContact CZ2-CD2 3.71Å; I59-L81 HydrophobicContact CB-CB 3.96Å; I59-L81 HydrophobicContact CB-CD1 3.68Å; I59-L81 HydrophobicContact CB-CG 4.44Å; I59-L81 HydrophobicContact CG2-CD1 3.44Å; I59-L81 VanDerWaalsContact CG2-CD1 3.44Å; I59-L81 PolarHBondContact O-N 3.17Å; L61-L81 HydrophobicContact CB-CD1 4.44Å; L81-F104 HydrophobicContact CD2-CD1 4.25Å; L81-F104 HydrophobicContact CD2-CE1 3.36Å; L81-F104 HydrophobicContact CD2-CZ 3.93Å; L81-F104 HydrophobicContact CG-CD1 4.38Å; L81-F104 HydrophobicContact CG-CE1 3.76Å; L81-I652 HydrophobicContact CD1-CD1 4.28Å
82	P	57.5	Low	61.3	Low	37 Å²	37	45.1 Å²	45.1	24%	0.24	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-70.9	150.6	178.9	23.2	-27.6	0	0	0	113.1	L102	P82-L102 HydrophobicContact CB-CD2 4.13Å; P82-L102 HydrophobicContact CG-CB 3.68Å; P82-L102 HydrophobicContact CG-CD1 3.96Å; P82-L102 HydrophobicContact CG-CD2 3.61Å; P82-L102 HydrophobicContact CG-CG 3.93Å
83	M	57.4	Low	60.8	Low	77 Å²	77	45 Å²	45	38%	0.379	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-60.6	144.8	-175.5	-85	-156.8	140.1	0	0	114.3	N56 W57 K85 S86	N56-M83 HydrophobicContact CB-CE 4.16Å; W57-M83 HydrophobicContact CB-CE 4.15Å; W57-M83 VanDerWaalsContact O-CE 3.27Å; W57-M83 WeakPolarHBondContact O-CE 3.28Å; W57-M83 WeakPolarHBondContact O-CG 3.34Å; M83-K85 VanDerWaalsContact C-N 3.31Å; M83-K85 PolarHBondContact O-N 3.01Å; M83-K85 VanDerWaalsContact O-N 3.14Å; M83-S86 WeakPolarHBondContact O-CB 3.35Å; M83-S86 PolarHBondContact O-N 2.87Å; M83-S86 PolarHBondContact O-OG 3Å
84	L	53.4	Low	60.1	Low	11 Å²	11	46.5 Å²	46.5	6%	0.058	24%	0.244	C	C	.	.	H	α-helix	trans	-51.2	-39.1	-176.4	-166.2	95.1	0	0	0	115.1	S86 L87 E88 L654 L656 P669	L84-S86 PolarHBondContact O-N 2.82Å; L84-L87 WeakPolarHBondContact O-CA 3.34Å; L84-L87 WeakPolarHBondContact O-CB 3.46Å; L84-L87 PolarHBondContact O-N 2.86Å; L84-E88 PolarHBondContact O-N 2.77Å; L84-L654 HydrophobicContact CB-CD2 4.32Å; L84-L654 HydrophobicContact CD1-CB 3.77Å; L84-L654 HydrophobicContact CD1-CD1 3.56Å; L84-L654 HydrophobicContact CD1-CD2 3.62Å; L84-L654 HydrophobicContact CD1-CG 3.86Å; L84-L656 HydrophobicContact CD2-CD1 3.52Å; L84-P669 HydrophobicContact CD1-CB 3.72Å; L84-P669 HydrophobicContact CD1-CG 3.43Å; L84-P669 VanDerWaalsContact CD1-CG 3.43Å; L84-P669 HydrophobicContact CD2-CB 4.24Å; L84-P669 HydrophobicContact CD2-CG 3.28Å; L84-P669 HydrophobicContact CG-CG 3.96Å
85	K	53.3	Low	58.9	Low	168 Å²	168	55.7 Å²	55.7	73%	0.73	28%	0.28	S	S	*	.	H	α-helix	trans	-57.3	-36.2	177.6	-99.4	-178.6	176.3	176.3	0	112.5	M83 L87 L89	M83-K85 VanDerWaalsContact C-N 3.31Å; M83-K85 PolarHBondContact O-N 3.01Å; M83-K85 VanDerWaalsContact O-N 3.14Å; K85-L87 VanDerWaalsContact C-N 3.29Å; K85-L89 WeakPolarHBondContact O-CD1 3.31Å; K85-L89 PolarHBondContact O-N 3.48Å
86	S	53.4	Low	57.7	Low	46 Å²	46	60.1 Å²	60.1	32%	0.322	29%	0.293	S	S	.	.	H	α-helix	trans	-69.2	-31.8	175	73.3	0	0	0	0	112.1	M83 L84 S90	M83-S86 WeakPolarHBondContact O-CB 3.35Å; M83-S86 PolarHBondContact O-N 2.87Å; M83-S86 PolarHBondContact O-OG 3Å; L84-S86 PolarHBondContact O-N 2.82Å; S86-S90 VanDerWaalsContact O-CB 3.24Å; S86-S90 WeakPolarHBondContact O-CB 3.5Å; S86-S90 PolarHBondContact O-N 3.44Å; S86-S90 PolarHBondContact O-OG 3.49Å
87	L	54.9	Low	56.4	Low	2 Å²	2	65.9 Å²	65.9	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-70.3	-49.1	-179.5	-141.1	140	0	0	0	110.7	V23 L84 K85 L89 S90 V91 L102 L593 I671	V23-L87 HydrophobicContact CG1-CD1 3.86Å; V23-L87 HydrophobicContact CG1-CD2 3.75Å; V23-L87 HydrophobicContact CG1-CG 3.68Å; V23-L87 HydrophobicContact CG2-CD2 4.07Å; L84-L87 WeakPolarHBondContact O-CA 3.34Å; L84-L87 WeakPolarHBondContact O-CB 3.46Å; L84-L87 PolarHBondContact O-N 2.86Å; K85-L87 VanDerWaalsContact C-N 3.29Å; L87-L89 PolarHBondContact O-N 3.44Å; L87-S90 WeakPolarHBondContact CA-OG 3.36Å; L87-S90 PolarHBondContact O-N 2.83Å; L87-S90 PolarHBondContact O-OG 3.1Å; L87-V91 HydrophobicContact CD2-CG2 4.35Å; L87-V91 WeakPolarHBondContact O-CB 3.38Å; L87-V91 VanDerWaalsContact O-CG2 3.26Å; L87-V91 WeakPolarHBondContact O-CG2 3.35Å; L87-V91 PolarHBondContact O-N 2.99Å; L87-L102 HydrophobicContact CB-CD1 4.24Å; L87-L102 HydrophobicContact CD1-CD1 3.68Å; L87-L102 HydrophobicContact CG-CD1 3.64Å; L87-L593 HydrophobicContact CD2-CD1 4.32Å; L87-I671 HydrophobicContact CD1-CD1 3.9Å
88	E	54.8	Low	54.9	Low	84 Å²	84	73 Å²	73	39%	0.393	35%	0.353	S	S	.	.	H	α-helix	trans	-57	-47.8	173.8	-81.6	-177.4	161	0	0	112.4	L84 S90 M92 L593	L84-E88 PolarHBondContact O-N 2.77Å; E88-S90 PolarHBondContact O-N 2.78Å; E88-M92 WeakPolarHBondContact O-CB 3.28Å; E88-M92 WeakPolarHBondContact O-CG 3.33Å; E88-M92 PolarHBondContact O-N 2.89Å; E88-L593 HydrophobicContact CG-CD2 3.38Å
89	L	51	Low	53.4	Low	110 Å²	110	77.5 Å²	77.5	58%	0.576	38%	0.381	S	S	*	.	H	α-helix	trans	-64.8	-35.6	178	-86.6	155.8	0	0	0	112.9	K85 L87 D93	K85-L89 WeakPolarHBondContact O-CD1 3.31Å; K85-L89 PolarHBondContact O-N 3.48Å; L87-L89 PolarHBondContact O-N 3.44Å; L89-D93 WeakPolarHBondContact O-CB 3.11Å
90	S	51.3	Low	52.3	Low	25 Å²	25	81.5 Å²	81.5	18%	0.175	40%	0.404	C	S	.	.	H	α-helix	trans	-75.7	-34.7	-179.1	68.6	0	0	0	0	113.5	S86 L87 E88	S86-S90 VanDerWaalsContact O-CB 3.24Å; S86-S90 WeakPolarHBondContact O-CB 3.5Å; S86-S90 PolarHBondContact O-N 3.44Å; S86-S90 PolarHBondContact O-OG 3.49Å; L87-S90 WeakPolarHBondContact CA-OG 3.36Å; L87-S90 PolarHBondContact O-N 2.83Å; L87-S90 PolarHBondContact O-OG 3.1Å; E88-S90 PolarHBondContact O-N 2.78Å
91	V	53.8	Low	51.4	Low	12 Å²	12	84.6 Å²	84.6	7%	0.073	42%	0.416	C	S	.	.	H	α-helix	trans	-84.9	-32	-173.9	174.9	0	0	0	0	111.9	I21 L87 K97 V686	I21-V91 HydrophobicContact CD1-CG1 4.08Å; L87-V91 HydrophobicContact CD2-CG2 4.35Å; L87-V91 WeakPolarHBondContact O-CB 3.38Å; L87-V91 VanDerWaalsContact O-CG2 3.26Å; L87-V91 WeakPolarHBondContact O-CG2 3.35Å; L87-V91 PolarHBondContact O-N 2.99Å; V91-K97 WeakPolarHBondContact O-CE 3.47Å; V91-V686 HydrophobicContact CG1-CG2 3.57Å
92	M	52.5	Low	50.8	Low	80 Å²	80	85.5 Å²	85.5	39%	0.394	42%	0.421	S	S	.	.	H	α-helix	trans	-83.6	-21	-176.6	-70.1	-71	166.4	0	0	114.2	E88 P94 G594 V686	E88-M92 WeakPolarHBondContact O-CB 3.28Å; E88-M92 WeakPolarHBondContact O-CG 3.33Å; E88-M92 PolarHBondContact O-N 2.89Å; M92-P94 WeakPolarHBondContact O-CD 3.29Å; M92-G594 VanDerWaalsContact CE-CA 3.46Å; M92-V686 HydrophobicContact CE-CG1 3.74Å
93	D	52.4	Low	50.6	Low	71 Å²	71	91 Å²	91	38%	0.38	45%	0.448	S	S	.	.			trans	-93.3	108.7	-174.1	-160.2	-5.9	0	0	0	111.4	L89 Y95 R96 K97	L89-D93 WeakPolarHBondContact O-CB 3.11Å; D93-Y95 PolarHBondContact O-N 2.95Å; D93-Y95 VanDerWaalsContact O-N 3.15Å; D93-R96 HydrophobicContact CB-CB 4.29Å; D93-R96 PolarHBondContact O-N 2.82Å; D93-K97 PolarHBondContact O-N 2.95Å; D93-K97 VanDerWaalsContact O-N 3.13Å
94	P	49.4	Very low	50.6	Low	89 Å²	89	89 Å²	89	58%	0.578	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.3	-171.3	23.6	-32.6	0	0	0	113.9	M92	M92-P94 WeakPolarHBondContact O-CD 3.29Å
95	Y	46	Very low	51	Low	210 Å²	210	94.9 Å²	94.9	82%	0.824	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-23.2	175.7	-80.6	-84.9	0	0	0	113.5	D93	D93-Y95 PolarHBondContact O-N 2.95Å; D93-Y95 VanDerWaalsContact O-N 3.15Å
96	R	46.9	Very low	51.5	Low	137 Å²	137	92.3 Å²	92.3	52%	0.517	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-16.2	176.2	-90.6	179.7	167.2	-176.1	-1.6	114	D93 I98 T99	D93-R96 HydrophobicContact CB-CB 4.29Å; D93-R96 PolarHBondContact O-N 2.82Å; R96-I98 PolarHBondContact O-N 2.73Å; R96-T99 PolarHBondContact O-N 3Å
97	K	45.6	Very low	52.1	Low	125 Å²	125	93.2 Å²	93.2	54%	0.543	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-24.8	-179.2	-114.8	-179.8	-179.7	176.5	0	115.1	V91 D93	V91-K97 WeakPolarHBondContact O-CE 3.47Å; D93-K97 PolarHBondContact O-N 2.95Å; D93-K97 VanDerWaalsContact O-N 3.13Å
98	I	42.5	Very low	52.9	Low	155 Å²	155	96.3 Å²	96.3	80%	0.795	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-21.9	-172.7	-61.5	174.3	0	0	0	112.3	R96	R96-I98 PolarHBondContact O-N 2.73Å
99	T	39.1	Very low	53.8	Low	95 Å²	95	94.8 Å²	94.8	58%	0.583	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-26.9	-161.6	54.9	0	0	0	0	116.3	R96	R96-T99 PolarHBondContact O-N 3Å
100	N	45.3	Very low	55	Low	109 Å²	109	92.5 Å²	92.5	58%	0.583	46%	0.456	S	S	*	.			trans	-129.7	86.9	-170.8	-66.1	-6.9	0	0	0	111.8	L102	N100-L102 PolarHBondContact O-N 2.96Å
101	F	52	Low	55.9	Low	126 Å²	126	93.8 Å²	93.8	55%	0.553	47%	0.465	S	S	*	.			trans	-51.9	132.4	148.4	-82.4	-65.9	0	0	0	107.6	N103	F101-N103 PolarHBondContact O-N 3.17Å
102	L	53.4	Low	56.8	Low	27 Å²	27	94.5 Å²	94.5	14%	0.141	47%	0.467	C	S	.	.			trans	-62.8	111.9	-179.2	-82	166.9	0	0	0	109.1	V23 P82 L87 N100 F104	V23-L102 HydrophobicContact CG1-CD1 3.68Å; P82-L102 HydrophobicContact CB-CD2 4.13Å; P82-L102 HydrophobicContact CG-CB 3.68Å; P82-L102 HydrophobicContact CG-CD1 3.96Å; P82-L102 HydrophobicContact CG-CD2 3.61Å; P82-L102 HydrophobicContact CG-CG 3.93Å; L87-L102 HydrophobicContact CB-CD1 4.24Å; L87-L102 HydrophobicContact CD1-CD1 3.68Å; L87-L102 HydrophobicContact CG-CD1 3.64Å; N100-L102 PolarHBondContact O-N 2.96Å; L102-F104 PolarHBondContact O-N 3Å
103	N	54	Low	57.6	Low	151 Å²	151	96 Å²	96	81%	0.807	48%	0.477	S	S	*	.			trans	-68.7	125.4	179.3	-86.7	-17	0	0	0	109.9	F101	F101-N103 PolarHBondContact O-N 3.17Å
104	F	58.5	Low	58.6	Low	37 Å²	37	95.2 Å²	95.2	16%	0.162	47%	0.468	C	S	.	.			trans	-69.5	130.4	171.9	-72.5	-82.3	0	0	0	110.8	W24 L26 F79 L81 L102 K106	W24-F104 HydrophobicContact CB-CE2 3.98Å; W24-F104 HydrophobicContact CB-CZ 4.28Å; W24-F104 HydrophobicContact CD2-CE1 4.36Å; W24-F104 AromaticContact CD2-CE2 3.75Å; W24-F104 HydrophobicContact CD2-CE2 3.75Å; W24-F104 AromaticContact CD2-CZ 3.28Å; W24-F104 HydrophobicContact CD2-CZ 3.28Å; W24-F104 AromaticContact CE2-CZ 3.59Å; W24-F104 HydrophobicContact CE3-CE1 4.5Å; W24-F104 AromaticContact CE3-CE2 3.53Å; W24-F104 HydrophobicContact CE3-CE2 3.53Å; W24-F104 AromaticContact CE3-CZ 3.25Å; W24-F104 HydrophobicContact CE3-CZ 3.25Å; W24-F104 AromaticContact CG-CE2 3.99Å; W24-F104 HydrophobicContact CG-CE2 3.99Å; W24-F104 AromaticContact CG-CZ 3.78Å; W24-F104 HydrophobicContact CG-CZ 3.78Å; W24-F104 HydrophobicContact CH2-CE1 4.36Å; W24-F104 AromaticContact CH2-CZ 3.68Å; W24-F104 HydrophobicContact CH2-CZ 3.68Å; W24-F104 HydrophobicContact CZ2-CE1 4.27Å; W24-F104 AromaticContact CZ2-CZ 3.76Å; W24-F104 HydrophobicContact CZ2-CZ 3.76Å; W24-F104 HydrophobicContact CZ3-CE2 4.03Å; W24-F104 AromaticContact CZ3-CZ 3.47Å; W24-F104 HydrophobicContact CZ3-CZ 3.47Å; W24-F104 VanDerWaalsContact CZ3-CZ 3.47Å; L26-F104 HydrophobicContact CB-CE2 4.04Å; L26-F104 HydrophobicContact CD1-CD2 3.64Å; L26-F104 HydrophobicContact CD1-CE2 3.92Å; L26-F104 HydrophobicContact CD1-CG 4.13Å; F79-F104 HydrophobicContact CB-CB 4.41Å; F79-F104 HydrophobicContact CB-CD1 3.84Å; F79-F104 HydrophobicContact CB-CE1 4.49Å; F79-F104 HydrophobicContact CB-CG 4.45Å; F79-F104 HydrophobicContact CD1-CB 3.85Å; F79-F104 HydrophobicContact CD1-CG 4.38Å; F79-F104 HydrophobicContact CG-CB 4.49Å; F79-F104 HydrophobicContact CG-CD1 4.44Å; L81-F104 HydrophobicContact CD2-CD1 4.25Å; L81-F104 HydrophobicContact CD2-CE1 3.36Å; L81-F104 HydrophobicContact CD2-CZ 3.93Å; L81-F104 HydrophobicContact CG-CD1 4.38Å; L81-F104 HydrophobicContact CG-CE1 3.76Å; L102-F104 PolarHBondContact O-N 3Å; F104-K106 PolarHBondContact O-N 2.78Å
105	Q	60.3	Low	59.8	Low	134 Å²	134	93.6 Å²	93.6	63%	0.626	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	106.2	163.9	-167.1	169.9	-2	0	0	107.6	Q80 I107	Q80-Q105 HydrophobicContact CB-CB 4.43Å; Q80-Q105 PolarHBondContact N-O 3.41Å; Q80-Q105 PolarHBondContact O-N 3.19Å; Q105-I107 PolarHBondContact O-N 3.47Å
106	K	65.3	Low	61.1	Low	114 Å²	114	84.4 Å²	84.4	50%	0.496	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	117.8	168.4	-176.4	179.6	177	-178.8	0	107.6	F79 F104 S109	F79-K106 HydrophobicContact CD1-CB 4.13Å; F79-K106 HydrophobicContact CD1-CG 4.46Å; F79-K106 HydrophobicContact CE1-CB 4.05Å; F79-K106 HydrophobicContact CE1-CG 4.16Å; F104-K106 PolarHBondContact O-N 2.78Å; K106-S109 WeakPolarHBondContact CE-OG 3.46Å; K106-S109 PolarHBondContact NZ-OG 2.91Å
107	I	66.2	Low	62.4	Low	64 Å²	64	78.5 Å²	78.5	33%	0.328	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-56.6	-179.5	-58.9	153.4	0	0	0	108.4	Y60 A78 Q80 Q105	Y60-I107 HydrophobicContact CD1-CD1 3.25Å; Y60-I107 HydrophobicContact CE1-CD1 3.31Å; Y60-I107 HydrophobicContact CE1-CG1 4.5Å; A78-I107 HydrophobicContact CB-CD1 4.26Å; A78-I107 PolarHBondContact O-N 2.85Å; Q80-I107 HydrophobicContact CB-CD1 3.94Å; Q80-I107 HydrophobicContact CB-CG1 4.04Å; Q105-I107 PolarHBondContact O-N 3.47Å
108	Q	70.6	Confident	63.8	Low	68 Å²	68	76 Å²	76	32%	0.318	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	155.2	-174.5	-148.8	131.5	-11	0	0	110	A77 A78 Q156 L157	A77-Q108 WeakPolarHBondContact CA-O 3.35Å; A78-Q108 PolarHBondContact N-O 2.93Å; A78-Q108 VanDerWaalsContact N-O 3.08Å; Q108-Q156 PolarHBondContact NE2-O 3.11Å; Q108-L157 HydrophobicContact CB-CD1 4.06Å; Q108-L157 HydrophobicContact CB-CG 4.48Å; Q108-L157 HydrophobicContact CG-CD1 4.2Å
109	S	74.3	Confident	65.6	Low	51 Å²	51	69.2 Å²	69.2	36%	0.357	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	140.2	162.1	57.1	0	0	0	0	110.7	L76 K106	L76-S109 CarbonylContact O-C 3.57Å; L76-S109 WeakPolarHBondContact O-CA 3.38Å; K106-S109 WeakPolarHBondContact CE-OG 3.46Å; K106-S109 PolarHBondContact NZ-OG 2.91Å
110	N	75.5	Confident	67.5	Low	63 Å²	63	68.7 Å²	68.7	34%	0.337	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	150.3	172.4	-158.1	1.4	0	0	0	109.5	D75 L76 F112 L157	D75-N110 CarbonylContact C-O 3.57Å; D75-N110 WeakPolarHBondContact CA-O 3.4Å; L76-N110 PolarHBondContact N-O 3.46Å; L76-N110 PolarHBondContact O-N 3.45Å; N110-F112 HydrophobicContact CB-CE1 3.86Å; N110-F112 HydrophobicContact CB-CZ 3.96Å; N110-L157 HydrophobicContact CB-CB 3.67Å; N110-L157 HydrophobicContact CB-CD1 3.77Å; N110-L157 HydrophobicContact CB-CG 4.37Å; N110-L157 VanDerWaalsContact N-CD1 3.34Å; N110-L157 PolarHBondContact ND2-O 2.88Å
111	S	70.1	Confident	69.1	Low	52 Å²	52	64 Å²	64	36%	0.364	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.9	-178	66.2	0	0	0	0	110.5	Y74 D75	Y74-S111 CarbonylContact O-C 3.44Å; Y74-S111 VanDerWaalsContact O-CA 3.31Å; Y74-S111 WeakPolarHBondContact O-CA 3.44Å; D75-S111 WeakPolarHBondContact OD1-CB 3.04Å
112	F	72.8	Confident	70.4	Confident	26 Å²	26	58.2 Å²	58.2	11%	0.114	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.2	-178	-42.2	-63.2	0	0	0	111.3	L73 Y74 L76 N110 R114 Y153	L73-F112 CarbonylContact C-O 3.54Å; L73-F112 VanDerWaalsContact CA-O 3.3Å; L73-F112 WeakPolarHBondContact CA-O 3.37Å; Y74-F112 PolarHBondContact N-O 2.74Å; Y74-F112 PolarHBondContact O-N 3.35Å; L76-F112 HydrophobicContact CB-CD2 4.17Å; L76-F112 HydrophobicContact CB-CE2 3.3Å; L76-F112 HydrophobicContact CB-CZ 4.01Å; L76-F112 HydrophobicContact CD2-CE2 3.7Å; L76-F112 HydrophobicContact CD2-CZ 4.01Å; L76-F112 HydrophobicContact CG-CE2 4.13Å; N110-F112 HydrophobicContact CB-CE1 3.86Å; N110-F112 HydrophobicContact CB-CZ 3.96Å; F112-R114 VanDerWaalsContact C-N 3.31Å; F112-R114 PolarHBondContact O-N 3.19Å; F112-Y153 HydrophobicContact CD1-CE1 4.34Å; F112-Y153 HydrophobicContact CE1-CD1 4.29Å; F112-Y153 AromaticContact CE1-CE1 3.73Å; F112-Y153 HydrophobicContact CE1-CE1 3.73Å; F112-Y153 HydrophobicContact CZ-CD1 4.32Å; F112-Y153 HydrophobicContact CZ-CE1 4.01Å; F112-Y153 HydrophobicContact CZ-CE2 4.45Å
113	N	69.8	Low	71.5	Confident	113 Å²	113	58.8 Å²	58.8	60%	0.604	29%	0.292	S	S	*	.	S	Bend	trans	-92.2	38.2	179.4	-100.1	-22.6	0	0	0	112.6	S72 L73	S72-N113 CarbonylContact O-C 3.54Å; S72-N113 WeakPolarHBondContact O-CA 3.48Å; L73-N113 WeakPolarHBondContact CD2-OD1 3.46Å; L73-N113 WeakPolarHBondContact CG-OD1 3.3Å
114	R	73.1	Confident	72.5	Confident	54 Å²	54	52.8 Å²	52.8	20%	0.204	26%	0.258	C	S	.	.	S	Bend	trans	-146.3	150	-179.4	-62.9	-173.4	-177.9	85.6	-8	110.5	S72 Y74 F112 P116 E134 E149 R162	S72-R114 PolarHBondContact O-N 2.86Å; S72-R114 VanDerWaalsContact O-N 3.08Å; Y74-R114 WeakPolarHBondContact CD2-O 3.45Å; F112-R114 VanDerWaalsContact C-N 3.31Å; F112-R114 PolarHBondContact O-N 3.19Å; R114-P116 VanDerWaalsContact O-CD 3.26Å; R114-P116 WeakPolarHBondContact O-CD 3.44Å; R114-E134 HydrophobicContact CB-CB 4.12Å; R114-E134 HydrophobicContact CB-CG 4.44Å; R114-E134 VanDerWaalsContact CD-OE2 3.26Å; R114-E134 WeakPolarHBondContact CD-OE2 3.35Å; R114-E134 IonicContact NH1-OE2 3.77Å; R114-E149 IonicContact CZ-OE2 3.47Å; R114-E149 IonicContact NE-OE2 3.54Å; R114-E149 PolarHBondContact NE-OE2 3.17Å; R114-E149 IonicContact NH2-OE2 3.51Å; R114-R162 VanDerWaalsContact NH2-NH1 3.15Å
115	E	73.9	Confident	73.4	Confident	54 Å²	54	57.5 Å²	57.5	25%	0.252	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	112.5	-179.8	177.7	166	-160	0	0	110.5	Y74 E134 C135	Y74-E115 VanDerWaalsContact CE2-CA 3.5Å; Y74-E115 HydrophobicContact CE2-CB 3.85Å; Y74-E115 HydrophobicContact CE2-CG 4.11Å; Y74-E115 WeakPolarHBondContact OH-CG 3.22Å; Y74-E115 PolarHBondContact OH-OE1 2.81Å; E115-E134 CarbonylContact O-C 3.56Å; E115-E134 WeakPolarHBondContact O-CA 3.37Å; E115-C135 PolarHBondContact N-O 3.47Å; E115-C135 PolarHBondContact O-N 3.06Å
116	P	74.4	Confident	74	Confident	17 Å²	17	60.2 Å²	60.2	11%	0.11	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	129.8	175.5	32.3	-32.9	0	0	0	109.9	L45 A64 Y74 R114 V132	L45-P116 HydrophobicContact CD1-CB 3.91Å; L45-P116 HydrophobicContact CD1-CG 4.2Å; L45-P116 VanDerWaalsContact CD1-O 3.29Å; L45-P116 WeakPolarHBondContact CD1-O 3.22Å; A64-P116 HydrophobicContact CB-CG 3.95Å; Y74-P116 HydrophobicContact CD1-CG 3.68Å; Y74-P116 VanDerWaalsContact CD2-CD 3.49Å; Y74-P116 HydrophobicContact CE1-CG 4.14Å; Y74-P116 HydrophobicContact CG-CG 3.89Å; R114-P116 VanDerWaalsContact O-CD 3.26Å; R114-P116 WeakPolarHBondContact O-CD 3.44Å; P116-V132 HydrophobicContact CB-CG1 3.64Å
117	I	74.2	Confident	74.7	Confident	14 Å²	14	57.5 Å²	57.5	7%	0.072	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-38.9	176	-59.3	174.9	0	0	0	110.7	V133 C135 F148 I182	I117-V133 PolarHBondContact N-O 3.16Å; I117-C135 HydrophobicContact CD1-CB 3.46Å; I117-C135 VanDerWaalsContact CD1-CB 3.46Å; I117-C135 HydrophobicContact CG1-CB 3.97Å; I117-F148 HydrophobicContact CD1-CD1 3.76Å; I117-F148 HydrophobicContact CD1-CE1 3.49Å; I117-F148 VanDerWaalsContact CD1-CE1 3.49Å; I117-I182 HydrophobicContact CD1-CD1 3.81Å; I117-I182 HydrophobicContact CG2-CB 4.41Å; I117-I182 HydrophobicContact CG2-CD1 4.16Å; I117-I182 HydrophobicContact CG2-CG1 4.46Å
118	R	75.4	Confident	75.3	Confident	72 Å²	72	55 Å²	55	27%	0.272	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	138.6	179.1	-67.9	-68.8	175.8	-109.4	9.2	110.4	V132 V133 I182 L184 G290	R118-V132 WeakPolarHBondContact O-CA 3.38Å; R118-V133 HydrophobicContact CB-CB 4.36Å; R118-V133 PolarHBondContact N-O 3.11Å; R118-V133 PolarHBondContact O-N 2.72Å; R118-I182 HydrophobicContact CG-CB 4.32Å; R118-I182 HydrophobicContact CG-CG2 4.3Å; R118-I182 PolarHBondContact NE-O 3.02Å; R118-L184 HydrophobicContact CB-CD1 3.49Å; R118-L184 VanDerWaalsContact CB-CD1 3.49Å; R118-L184 HydrophobicContact CB-CG 4.19Å; R118-L184 HydrophobicContact CG-CD1 4.48Å; R118-G290 PolarHBondContact NH2-O 2.7Å
119	L	79.4	Confident	76	Confident	12 Å²	12	52.4 Å²	52.4	6%	0.063	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.1	175.8	172.3	69.3	0	0	0	108.2	L45 A64 L76 V132	L45-L119 HydrophobicContact CB-CB 4.14Å; L45-L119 HydrophobicContact CD1-CB 4.4Å; A64-L119 HydrophobicContact CB-CD2 4.34Å; L76-L119 HydrophobicContact CD1-CD1 3.97Å; L76-L119 HydrophobicContact CD1-CD2 3.7Å; L76-L119 HydrophobicContact CD2-CD1 4.45Å; L119-V132 HydrophobicContact CD1-CG2 3.7Å
120	K	78.8	Confident	76.5	Confident	84 Å²	84	50 Å²	50	37%	0.365	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	135.7	164.6	-83.2	-170.8	169.4	-176.7	0	109.7	S47 V131 L184 F186	S47-K120 WeakPolarHBondContact OG-CA 3.3Å; K120-V131 PolarHBondContact N-O 3.03Å; K120-V131 PolarHBondContact O-N 3.47Å; K120-L184 HydrophobicContact CD-CB 4.3Å; K120-L184 WeakPolarHBondContact CE-O 3.14Å; K120-L184 PolarHBondContact NZ-O 2.89Å; K120-F186 HydrophobicContact CB-CD2 4.46Å; K120-F186 HydrophobicContact CB-CE2 3.43Å; K120-F186 VanDerWaalsContact CB-CE2 3.43Å; K120-F186 HydrophobicContact CB-CZ 4.02Å; K120-F186 HydrophobicContact CD-CD2 3.98Å; K120-F186 HydrophobicContact CD-CE2 3.41Å; K120-F186 VanDerWaalsContact CD-CE2 3.41Å; K120-F186 HydrophobicContact CD-CZ 4.48Å; K120-F186 HydrophobicContact CG-CE2 4.02Å
121	S	79.4	Confident	76.9	Confident	10 Å²	10	47 Å²	47	7%	0.07	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	145.6	170.7	50.9	0	0	0	0	109.2	S47 I49 I129	S47-S121 PolarHBondContact OG-N 2.98Å; S47-S121 PolarHBondContact OG-OG 2.99Å; I49-S121 WeakPolarHBondContact CD1-O 3.21Å; S121-I129 CarbonylContact C-O 3.52Å; S121-I129 WeakPolarHBondContact CA-O 3.33Å
122	L	78.5	Confident	77.6	Confident	6 Å²	6	44.8 Å²	44.8	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	143.8	177.5	60.1	93.1	0	0	0	111.3	I49 I129 V131 F186 L188 L222	I49-L122 HydrophobicContact CD1-CB 4.39Å; L122-I129 HydrophobicContact CD1-CB 3.74Å; L122-I129 HydrophobicContact CD1-CD1 4.3Å; L122-I129 HydrophobicContact CD1-CG1 4.38Å; L122-I129 HydrophobicContact CD1-CG2 4.17Å; L122-I129 HydrophobicContact CG-CB 4.17Å; L122-I129 HydrophobicContact CG-CG2 4.46Å; L122-I129 PolarHBondContact N-O 2.65Å; L122-I129 PolarHBondContact O-N 3.29Å; L122-V131 HydrophobicContact CD2-CG2 3.72Å; L122-F186 HydrophobicContact CD2-CD1 3.46Å; L122-F186 VanDerWaalsContact CD2-CD1 3.46Å; L122-F186 HydrophobicContact CD2-CD2 4.05Å; L122-F186 HydrophobicContact CD2-CE1 3.58Å; L122-F186 HydrophobicContact CD2-CE2 4.14Å; L122-F186 HydrophobicContact CD2-CG 3.73Å; L122-F186 HydrophobicContact CD2-CZ 3.95Å; L122-L188 HydrophobicContact CD1-CD2 4.08Å; L122-L222 HydrophobicContact CD1-CD1 4.31Å; L122-L222 HydrophobicContact CD1-CD2 3.75Å; L122-L222 HydrophobicContact CD2-CD1 4.23Å
123	F	76.6	Confident	78.1	Confident	39 Å²	39	43.5 Å²	43.5	17%	0.171	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.5	166	-91.9	-75.5	0	0	0	109.1	I49 D51 Y60 S127 L128 L188	I49-F123 HydrophobicContact CD1-CD2 4.42Å; I49-F123 HydrophobicContact CG2-CD2 3.4Å; I49-F123 VanDerWaalsContact CG2-CD2 3.4Å; I49-F123 HydrophobicContact CG2-CE2 3.32Å; D51-F123 HydrophobicContact CB-CD2 4.11Å; D51-F123 HydrophobicContact CB-CE1 4.38Å; D51-F123 HydrophobicContact CB-CE2 3.37Å; D51-F123 HydrophobicContact CB-CZ 3.53Å; D51-F123 VanDerWaalsContact CG-CZ 3.48Å; Y60-F123 AromaticContact CD2-CE2 3.74Å; Y60-F123 HydrophobicContact CD2-CE2 3.74Å; Y60-F123 AromaticContact CD2-CZ 3.77Å; Y60-F123 HydrophobicContact CD2-CZ 3.77Å; Y60-F123 AromaticContact CE2-CE2 3.9Å; Y60-F123 HydrophobicContact CE2-CE2 3.9Å; Y60-F123 AromaticContact CE2-CZ 3.5Å; Y60-F123 HydrophobicContact CE2-CZ 3.5Å; F123-S127 WeakPolarHBondContact CA-O 3.38Å; F123-L128 HydrophobicContact CD1-CB 4.43Å; F123-L128 HydrophobicContact CD2-CD1 4.1Å; F123-L128 HydrophobicContact CE1-CB 3.94Å; F123-L128 HydrophobicContact CE1-CD1 4.4Å; F123-L128 HydrophobicContact CE2-CD1 3.79Å; F123-L128 HydrophobicContact CG-CD1 4.5Å; F123-L128 HydrophobicContact CZ-CB 4.1Å; F123-L128 HydrophobicContact CZ-CD1 3.95Å; F123-L188 WeakPolarHBondContact O-CD1 3.31Å
124	Y	75.2	Confident	78.8	Confident	25 Å²	25	38.2 Å²	38.2	10%	0.098	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	126.4	177.5	-179.6	-103.5	0	0	0	109.1	E126 S127 I129 L188 C198 L222 E223	Y124-E126 VanDerWaalsContact C-N 3.28Å; Y124-E126 PolarHBondContact O-N 2.97Å; Y124-S127 PolarHBondContact N-O 3.49Å; Y124-S127 PolarHBondContact O-N 2.96Å; Y124-S127 VanDerWaalsContact O-O 3.14Å; Y124-I129 HydrophobicContact CD1-CD1 3.93Å; Y124-I129 HydrophobicContact CG-CD1 4.23Å; Y124-L188 HydrophobicContact CD2-CD2 4.01Å; Y124-C198 HydrophobicContact CE2-CB 4.32Å; Y124-C198 WeakPolarHBondContact CE2-O 3.38Å; Y124-C198 WeakPolarHBondContact OH-CB 3.2Å; Y124-C198 PolarHBondContact OH-O 3.23Å; Y124-L222 HydrophobicContact CD1-CD2 4.07Å; Y124-L222 HydrophobicContact CD2-CD2 3.64Å; Y124-L222 HydrophobicContact CE1-CD2 4.44Å; Y124-L222 HydrophobicContact CE2-CD2 4.03Å; Y124-L222 HydrophobicContact CG-CD2 3.64Å; Y124-E223 HydrophobicContact CE1-CG 4.24Å; Y124-E223 PolarHBondContact OH-OE1 2.86Å
125	K	76.7	Confident	79	Confident	136 Å²	136	35.9 Å²	35.9	59%	0.591	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	50	-176	-63.4	177.2	175	169.9	0	112.3	S127 E223	K125-S127 PolarHBondContact O-N 2.86Å; K125-E223 IonicContact NZ-OE1 3.29Å; K125-E223 PolarHBondContact NZ-OE1 3.26Å
126	E	74.6	Confident	79.1	Confident	191 Å²	191	39.1 Å²	39.1	89%	0.893	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	9.6	-179.5	-53.9	-178.5	166.7	0	0	115.3	Y124	Y124-E126 VanDerWaalsContact C-N 3.28Å; Y124-E126 PolarHBondContact O-N 2.97Å
127	S	79.2	Confident	79	Confident	57 Å²	57	43.9 Å²	43.9	40%	0.399	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	138.2	177.2	-61.7	0	0	0	0	110.8	F123 Y124 K125	F123-S127 WeakPolarHBondContact CA-O 3.38Å; Y124-S127 PolarHBondContact N-O 3.49Å; Y124-S127 PolarHBondContact O-N 2.96Å; Y124-S127 VanDerWaalsContact O-O 3.14Å; K125-S127 PolarHBondContact O-N 2.86Å
128	L	80	Confident	78.9	Confident	10 Å²	10	46.4 Å²	46.4	5%	0.052	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	127.2	172.8	-172.6	67.1	0	0	0	109.2	I49 Y60 F123 Y130 D154 N155	I49-L128 HydrophobicContact CG2-CD1 3.81Å; Y60-L128 HydrophobicContact CD1-CD2 3.79Å; Y60-L128 HydrophobicContact CE1-CD2 4.37Å; Y60-L128 HydrophobicContact CG-CD2 3.9Å; F123-L128 HydrophobicContact CD1-CB 4.43Å; F123-L128 HydrophobicContact CD2-CD1 4.1Å; F123-L128 HydrophobicContact CE1-CB 3.94Å; F123-L128 HydrophobicContact CE1-CD1 4.4Å; F123-L128 HydrophobicContact CE2-CD1 3.79Å; F123-L128 HydrophobicContact CG-CD1 4.5Å; F123-L128 HydrophobicContact CZ-CB 4.1Å; F123-L128 HydrophobicContact CZ-CD1 3.95Å; L128-Y130 HydrophobicContact CD2-CE1 3.96Å; L128-Y130 HydrophobicContact CD2-CE2 4.35Å; L128-Y130 WeakPolarHBondContact CD2-OH 3.46Å; L128-Y130 HydrophobicContact CG-CE1 4.17Å; L128-Y130 HydrophobicContact CG-CE2 4.35Å; L128-D154 CarbonylContact O-C 2.85Å; L128-N155 HydrophobicContact CB-CB 4.21Å; L128-N155 WeakPolarHBondContact O-CA 3.44Å; L128-N155 PolarHBondContact O-N 2.85Å
129	I	84.5	Confident	78.4	Confident	15 Å²	15	48 Å²	48	8%	0.077	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	142.6	179.5	-60.3	-173.7	0	0	0	108.5	S121 L122 Y124 V131 V152 Y153 I160	S121-I129 CarbonylContact C-O 3.52Å; S121-I129 WeakPolarHBondContact CA-O 3.33Å; L122-I129 HydrophobicContact CD1-CB 3.74Å; L122-I129 HydrophobicContact CD1-CD1 4.3Å; L122-I129 HydrophobicContact CD1-CG1 4.38Å; L122-I129 HydrophobicContact CD1-CG2 4.17Å; L122-I129 HydrophobicContact CG-CB 4.17Å; L122-I129 HydrophobicContact CG-CG2 4.46Å; L122-I129 PolarHBondContact N-O 2.65Å; L122-I129 PolarHBondContact O-N 3.29Å; Y124-I129 HydrophobicContact CD1-CD1 3.93Å; Y124-I129 HydrophobicContact CG-CD1 4.23Å; I129-V131 HydrophobicContact CG2-CG2 4.46Å; I129-V152 HydrophobicContact CG2-CG1 3.24Å; I129-Y153 CarbonylContact C-O 3.6Å; I129-Y153 WeakPolarHBondContact CA-O 3.36Å; I129-Y153 WeakPolarHBondContact CG2-O 3.36Å; I129-I160 HydrophobicContact CD1-CD1 4.49Å
130	Y	84.4	Confident	77.6	Confident	1 Å²	1	50.2 Å²	50.2	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.7	175.6	-47.9	-87.9	0	0	0	110.1	S62 L76 A78 L128 V152 Y153 D154 L157	S62-Y130 VanDerWaalsContact OG-CE1 3.29Å; S62-Y130 WeakPolarHBondContact OG-CE1 3.01Å; L76-Y130 HydrophobicContact CD2-CG 4.43Å; A78-Y130 HydrophobicContact CB-CE1 4.31Å; A78-Y130 WeakPolarHBondContact CB-OH 3.46Å; L128-Y130 HydrophobicContact CD2-CE1 3.96Å; L128-Y130 HydrophobicContact CD2-CE2 4.35Å; L128-Y130 WeakPolarHBondContact CD2-OH 3.46Å; L128-Y130 HydrophobicContact CG-CE1 4.17Å; L128-Y130 HydrophobicContact CG-CE2 4.35Å; Y130-V152 CarbonylContact O-C 3.46Å; Y130-V152 WeakPolarHBondContact O-CA 3.49Å; Y130-Y153 PolarHBondContact N-O 2.88Å; Y130-Y153 PolarHBondContact O-N 2.93Å; Y130-D154 VanDerWaalsContact CD2-O 3.28Å; Y130-D154 WeakPolarHBondContact CD2-O 3.44Å; Y130-D154 VanDerWaalsContact CE2-O 3.28Å; Y130-D154 WeakPolarHBondContact CE2-O 3.29Å; Y130-L157 HydrophobicContact CD2-CD2 3.5Å; Y130-L157 VanDerWaalsContact CD2-CD2 3.5Å; Y130-L157 HydrophobicContact CE2-CD2 3.41Å; Y130-L157 VanDerWaalsContact CE2-CD2 3.41Å; Y130-L157 HydrophobicContact CE2-CG 4.38Å; Y130-L157 HydrophobicContact CG-CD2 4.16Å
131	V	83.9	Confident	76.6	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.3	175.2	-177.2	0	0	0	0	108.2	K120 L122 I129 I150 A151 V152 F186 I201 L222	K120-V131 PolarHBondContact N-O 3.03Å; K120-V131 PolarHBondContact O-N 3.47Å; L122-V131 HydrophobicContact CD2-CG2 3.72Å; I129-V131 HydrophobicContact CG2-CG2 4.46Å; V131-I150 HydrophobicContact CG1-CD1 3.77Å; V131-I150 HydrophobicContact CG1-CG1 3.98Å; V131-A151 WeakPolarHBondContact CA-O 3.47Å; V131-V152 HydrophobicContact CG1-CG2 4.37Å; V131-V152 HydrophobicContact CG2-CG1 4.34Å; V131-V152 HydrophobicContact CG2-CG2 4.05Å; V131-F186 HydrophobicContact CB-CE1 3.9Å; V131-F186 HydrophobicContact CB-CZ 3.6Å; V131-F186 HydrophobicContact CG1-CE1 3.91Å; V131-F186 HydrophobicContact CG1-CZ 3.78Å; V131-F186 HydrophobicContact CG2-CE1 3.63Å; V131-F186 HydrophobicContact CG2-CZ 3.79Å; V131-I201 HydrophobicContact CG1-CD1 4.19Å; V131-I201 HydrophobicContact CG2-CD1 4.29Å; V131-L222 HydrophobicContact CG2-CD1 4.32Å
132	V	85.2	Confident	75.7	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.024	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.2	-176.7	-167.8	0	0	0	0	108.8	P116 R118 L119 E134 I150 A151 Y153	P116-V132 HydrophobicContact CB-CG1 3.64Å; R118-V132 WeakPolarHBondContact O-CA 3.38Å; L119-V132 HydrophobicContact CD1-CG2 3.7Å; V132-E134 HydrophobicContact CB-CG 4.22Å; V132-E134 HydrophobicContact CG1-CG 3.63Å; V132-I150 WeakPolarHBondContact O-CA 3.48Å; V132-A151 PolarHBondContact N-O 2.97Å; V132-A151 PolarHBondContact O-N 2.59Å; V132-Y153 HydrophobicContact CB-CE2 4.04Å; V132-Y153 HydrophobicContact CG2-CD2 3.83Å; V132-Y153 HydrophobicContact CG2-CE2 3.66Å
133	V	83.1	Confident	75	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.2	163.4	174.6	0	0	0	0	107.7	I117 R118 E149 I150 I182 L184 V203	I117-V133 PolarHBondContact N-O 3.16Å; R118-V133 HydrophobicContact CB-CB 4.36Å; R118-V133 PolarHBondContact N-O 3.11Å; R118-V133 PolarHBondContact O-N 2.72Å; V133-E149 CarbonylContact C-O 3.11Å; V133-E149 WeakPolarHBondContact CA-O 3.06Å; V133-I150 HydrophobicContact CG2-CB 4.34Å; V133-I150 HydrophobicContact CG2-CD1 4.26Å; V133-I150 HydrophobicContact CG2-CG1 4.23Å; V133-I182 HydrophobicContact CG1-CD1 3.95Å; V133-I182 HydrophobicContact CG1-CG2 4.16Å; V133-I182 HydrophobicContact CG2-CG2 4.46Å; V133-L184 HydrophobicContact CB-CD1 4.39Å; V133-L184 HydrophobicContact CG2-CD1 3.67Å; V133-L184 HydrophobicContact CG2-CD2 3.65Å; V133-L184 HydrophobicContact CG2-CG 3.89Å; V133-V203 HydrophobicContact CG2-CG1 4.46Å
134	E	83.9	Confident	74.5	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.009	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.8	-173.8	-61.6	174.4	165.8	0	0	109.2	R114 E115 V132 E149 Y153 R162	R114-E134 HydrophobicContact CB-CB 4.12Å; R114-E134 HydrophobicContact CB-CG 4.44Å; R114-E134 VanDerWaalsContact CD-OE2 3.26Å; R114-E134 WeakPolarHBondContact CD-OE2 3.35Å; R114-E134 IonicContact NH1-OE2 3.77Å; E115-E134 CarbonylContact O-C 3.56Å; E115-E134 WeakPolarHBondContact O-CA 3.37Å; V132-E134 HydrophobicContact CB-CG 4.22Å; V132-E134 HydrophobicContact CG1-CG 3.63Å; E134-E149 PolarHBondContact N-O 2.95Å; E134-E149 PolarHBondContact O-N 2.75Å; E134-Y153 PolarHBondContact OE1-OH 2.83Å; E134-R162 IonicContact OE2-CZ 3.07Å; E134-R162 IonicContact OE2-NE 3.74Å; E134-R162 PolarHBondContact OE2-NE 2.83Å; E134-R162 IonicContact OE2-NH2 2.94Å; E134-R162 PolarHBondContact OE2-NH2 3.29Å
135	C	77.7	Confident	74.5	Confident	5 Å²	5	66.6 Å²	66.6	3%	0.034	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	136.1	171.4	166	0	0	0	0	109.8	E115 I117 V146 F148	E115-C135 PolarHBondContact N-O 3.47Å; E115-C135 PolarHBondContact O-N 3.06Å; I117-C135 HydrophobicContact CD1-CB 3.46Å; I117-C135 VanDerWaalsContact CD1-CB 3.46Å; I117-C135 HydrophobicContact CG1-CB 3.97Å; C135-V146 WeakPolarHBondContact SG-CG1 3.48Å; C135-F148 HydrophobicContact CB-CD1 4.38Å; C135-F148 HydrophobicContact CB-CE1 4.39Å
136	R	76.7	Confident	74.3	Confident	121 Å²	121	60.2 Å²	60.2	46%	0.457	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	118.8	173.4	-172.6	178.7	-179.3	-176.1	0.7	109.8	I138 L147	R136-I138 HydrophobicContact CG-CG1 4.19Å; R136-L147 PolarHBondContact N-O 2.82Å; R136-L147 PolarHBondContact O-N 3.03Å
137	K	72.5	Confident	74.5	Confident	118 Å²	118	52.4 Å²	52.4	51%	0.513	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	126.4	165.1	-69	-175.3	179.8	-174.2	0	109.3	V146 F177	K137-V146 HydrophobicContact CG-CG2 4.3Å; K137-F177 HydrophobicContact CD-CE2 4.37Å; K137-F177 VanDerWaalsContact CE-CZ 3.41Å; K137-F177 HydrophobicContact CG-CZ 4.41Å
138	I	72	Confident	74.7	Confident	66 Å²	66	50 Å²	50	34%	0.338	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	101.2	173.5	-57.1	174.5	0	0	0	106.3	R136 Y145 L147	R136-I138 HydrophobicContact CG-CG1 4.19Å; I138-Y145 PolarHBondContact N-O 3.27Å; I138-Y145 PolarHBondContact O-N 3.38Å; I138-L147 HydrophobicContact CD1-CB 4.02Å; I138-L147 HydrophobicContact CD1-CD2 4.21Å
139	S	64.3	Low	75.1	Confident	107 Å²	107	50.4 Å²	50.4	75%	0.748	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	114.7	172.7	56.5	0	0	0	0	109.5
140	S	62.8	Low	75.3	Confident	57 Å²	57	49.7 Å²	49.7	40%	0.399	26%	0.26	S	S	.	.			trans	-94.1	165.9	161	79.6	0	0	0	0	109.6	V142 N143	S140-V142 PolarHBondContact O-N 2.75Å; S140-V142 VanDerWaalsContact O-N 3.12Å; S140-V142 PolarHBondContact OG-N 2.94Å; S140-N143 WeakPolarHBondContact CB-O 3.44Å; S140-N143 PolarHBondContact N-O 2.82Å; S140-N143 PolarHBondContact OG-N 3.32Å; S140-N143 PolarHBondContact OG-O 3.49Å
141	Q	57.9	Low	75.5	Confident	206 Å²	206	49.7 Å²	49.7	96%	0.963	26%	0.26	S	S	*	.	S	Bend	trans	-60.7	-19.4	178.2	-75.2	-172.9	-22.3	0	0	114.1
142	V	59.6	Low	75.7	Confident	126 Å²	126	49.7 Å²	49.7	76%	0.764	26%	0.26	S	S	*	.	S	Bend	trans	-110.4	-43.5	-173.6	-174.3	0	0	0	0	111.3	S140	S140-V142 PolarHBondContact O-N 2.75Å; S140-V142 VanDerWaalsContact O-N 3.12Å; S140-V142 PolarHBondContact OG-N 2.94Å
143	N	64.8	Low	75.8	Confident	63 Å²	63	49.7 Å²	49.7	34%	0.337	26%	0.26	S	S	.	.			trans	-137.9	141.3	-177.6	-69	-24.7	0	0	0	111.4	S140 Y145 L169	S140-N143 WeakPolarHBondContact CB-O 3.44Å; S140-N143 PolarHBondContact N-O 2.82Å; S140-N143 PolarHBondContact OG-N 3.32Å; S140-N143 PolarHBondContact OG-O 3.49Å; N143-Y145 HydrophobicContact CB-CD2 4.31Å; N143-Y145 HydrophobicContact CB-CE1 4.5Å; N143-Y145 HydrophobicContact CB-CE2 3.55Å; N143-Y145 PolarHBondContact ND2-OH 2.9Å; N143-L169 HydrophobicContact CB-CD1 3.87Å
144	S	66.4	Low	75.9	Confident	51 Å²	51	51.9 Å²	51.9	36%	0.357	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.1	165.8	41.7	0	0	0	0	110.5	L170	S144-L170 WeakPolarHBondContact O-CB 3.39Å; S144-L170 PolarHBondContact O-N 3.42Å
145	Y	73.7	Confident	75.8	Confident	63 Å²	63	55.3 Å²	55.3	25%	0.247	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	150.6	175.5	-59	-90.3	0	0	0	110.5	I138 N143 Q167 V168 L169	I138-Y145 PolarHBondContact N-O 3.27Å; I138-Y145 PolarHBondContact O-N 3.38Å; N143-Y145 HydrophobicContact CB-CD2 4.31Å; N143-Y145 HydrophobicContact CB-CE1 4.5Å; N143-Y145 HydrophobicContact CB-CE2 3.55Å; N143-Y145 PolarHBondContact ND2-OH 2.9Å; Y145-Q167 HydrophobicContact CD1-CG 3.97Å; Y145-Q167 HydrophobicContact CG-CG 4.3Å; Y145-V168 CarbonylContact C-O 3.52Å; Y145-V168 WeakPolarHBondContact CA-O 3.43Å; Y145-L169 HydrophobicContact CD1-CB 4.44Å; Y145-L169 HydrophobicContact CD1-CD1 3.73Å; Y145-L169 HydrophobicContact CE1-CB 4.46Å; Y145-L169 HydrophobicContact CE1-CD1 3.15Å; Y145-L169 HydrophobicContact CE1-CG 4.38Å
146	V	72.5	Confident	76	Confident	2 Å²	2	60 Å²	60	1%	0.012	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124	169	170.3	0	0	0	0	108.1	C135 K137 F148 Q167 V168 L170 F177	C135-V146 WeakPolarHBondContact SG-CG1 3.48Å; K137-V146 HydrophobicContact CG-CG2 4.3Å; V146-F148 HydrophobicContact CG1-CD1 4.49Å; V146-F148 HydrophobicContact CG1-CE1 4.05Å; V146-F148 HydrophobicContact CG1-CE2 4.27Å; V146-F148 HydrophobicContact CG1-CZ 3.93Å; V146-Q167 CarbonylContact O-C 3.6Å; V146-Q167 WeakPolarHBondContact O-CA 3.3Å; V146-V168 PolarHBondContact N-O 2.97Å; V146-V168 PolarHBondContact O-N 3.09Å; V146-L170 HydrophobicContact CG2-CD1 3.35Å; V146-L170 HydrophobicContact CG2-CD2 4.11Å; V146-L170 HydrophobicContact CG2-CG 3.66Å; V146-F177 HydrophobicContact CB-CE1 4.27Å; V146-F177 HydrophobicContact CG1-CE1 3.94Å; V146-F177 HydrophobicContact CG2-CE1 3.45Å; V146-F177 VanDerWaalsContact CG2-CE1 3.45Å; V146-F177 HydrophobicContact CG2-CZ 3.61Å
147	L	80.5	Confident	76.1	Confident	26 Å²	26	54.2 Å²	54.2	14%	0.136	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.1	173.2	-170.3	76	0	0	0	108.8	R136 I138 E149 A164 Q167	R136-L147 PolarHBondContact N-O 2.82Å; R136-L147 PolarHBondContact O-N 3.03Å; I138-L147 HydrophobicContact CD1-CB 4.02Å; I138-L147 HydrophobicContact CD1-CD2 4.21Å; L147-E149 HydrophobicContact CD2-CG 3.68Å; L147-E149 VanDerWaalsContact CD2-OE1 3.23Å; L147-E149 WeakPolarHBondContact CD2-OE1 3.28Å; L147-E149 HydrophobicContact CG-CG 3.98Å; L147-A164 HydrophobicContact CD1-CB 4.18Å; L147-A164 HydrophobicContact CD2-CB 4.39Å; L147-A164 HydrophobicContact CG-CB 4.47Å; L147-Q167 HydrophobicContact CD1-CB 4.16Å
148	F	83.4	Confident	76.6	Confident	6 Å²	6	52.2 Å²	52.2	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	124	167.1	-63.5	-65.8	0	0	0	109.2	I117 C135 V146 L165 Y166 V168 V180 I182	I117-F148 HydrophobicContact CD1-CD1 3.76Å; I117-F148 HydrophobicContact CD1-CE1 3.49Å; I117-F148 VanDerWaalsContact CD1-CE1 3.49Å; C135-F148 HydrophobicContact CB-CD1 4.38Å; C135-F148 HydrophobicContact CB-CE1 4.39Å; V146-F148 HydrophobicContact CG1-CD1 4.49Å; V146-F148 HydrophobicContact CG1-CE1 4.05Å; V146-F148 HydrophobicContact CG1-CE2 4.27Å; V146-F148 HydrophobicContact CG1-CZ 3.93Å; F148-L165 HydrophobicContact CB-CB 4.3Å; F148-L165 HydrophobicContact CB-CD1 4.46Å; F148-L165 PolarHBondContact O-N 2.8Å; F148-Y166 PolarHBondContact N-O 2.79Å; F148-V168 HydrophobicContact CD2-CG2 4.36Å; F148-V168 HydrophobicContact CE2-CG2 3.77Å; F148-V180 HydrophobicContact CE1-CG1 4.15Å; F148-V180 HydrophobicContact CZ-CG1 3.75Å; F148-V180 HydrophobicContact CZ-CG2 4.38Å; F148-I182 HydrophobicContact CD1-CD1 3.65Å; F148-I182 HydrophobicContact CE1-CD1 3.73Å; F148-I182 HydrophobicContact CG-CD1 4.29Å; F148-I182 HydrophobicContact CZ-CD1 4.4Å
149	E	87.8	Confident	77.3	Confident	20 Å²	20	53.5 Å²	53.5	9%	0.093	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	143.8	177.5	-61.3	-176.1	142.4	0	0	109.1	R114 V133 E134 L147 R162 R163	R114-E149 IonicContact CZ-OE2 3.47Å; R114-E149 IonicContact NE-OE2 3.54Å; R114-E149 PolarHBondContact NE-OE2 3.17Å; R114-E149 IonicContact NH2-OE2 3.51Å; V133-E149 CarbonylContact C-O 3.11Å; V133-E149 WeakPolarHBondContact CA-O 3.06Å; E134-E149 PolarHBondContact N-O 2.95Å; E134-E149 PolarHBondContact O-N 2.75Å; L147-E149 HydrophobicContact CD2-CG 3.68Å; L147-E149 VanDerWaalsContact CD2-OE1 3.23Å; L147-E149 WeakPolarHBondContact CD2-OE1 3.28Å; L147-E149 HydrophobicContact CG-CG 3.98Å; E149-R162 HydrophobicContact CB-CG 4.32Å; E149-R162 WeakPolarHBondContact OE2-CD 3.45Å; E149-R162 IonicContact OE2-NE 3.04Å; E149-R163 CarbonylContact C-O 3.5Å; E149-R163 WeakPolarHBondContact CA-O 3.34Å
150	I	88.7	Confident	78.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.7	167.7	-175	164.6	0	0	0	108.8	V131 V132 V133 W161 R162 R163 L165 L184 I201 V203 L220	V131-I150 HydrophobicContact CG1-CD1 3.77Å; V131-I150 HydrophobicContact CG1-CG1 3.98Å; V132-I150 WeakPolarHBondContact O-CA 3.48Å; V133-I150 HydrophobicContact CG2-CB 4.34Å; V133-I150 HydrophobicContact CG2-CD1 4.26Å; V133-I150 HydrophobicContact CG2-CG1 4.23Å; I150-W161 HydrophobicContact CG2-CH2 4.42Å; I150-W161 HydrophobicContact CG2-CZ3 3.95Å; I150-R162 CarbonylContact O-C 3.58Å; I150-R162 VanDerWaalsContact O-CA 3.3Å; I150-R162 WeakPolarHBondContact O-CA 3.34Å; I150-R163 HydrophobicContact CG2-CB 4.16Å; I150-R163 PolarHBondContact N-O 2.89Å; I150-R163 PolarHBondContact O-N 3.21Å; I150-L165 HydrophobicContact CB-CD1 4.15Å; I150-L165 HydrophobicContact CB-CG 4.37Å; I150-L165 HydrophobicContact CG2-CD1 4.34Å; I150-L165 HydrophobicContact CG2-CD2 3.87Å; I150-L165 HydrophobicContact CG2-CG 4.04Å; I150-L184 HydrophobicContact CD1-CD2 4.09Å; I150-I201 HydrophobicContact CD1-CD1 4.42Å; I150-I201 HydrophobicContact CD1-CG2 3.9Å; I150-V203 HydrophobicContact CD1-CG2 3.65Å; I150-L220 HydrophobicContact CD1-CD1 4.17Å; I150-L220 HydrophobicContact CG2-CD1 3.8Å
151	A	88.3	Confident	79.8	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142.3	178.1	0	0	0	0	0	110.1	V131 V132 Y153 R162	V131-A151 WeakPolarHBondContact CA-O 3.47Å; V132-A151 PolarHBondContact N-O 2.97Å; V132-A151 PolarHBondContact O-N 2.59Å; A151-Y153 HydrophobicContact CB-CE2 3.72Å; A151-R162 HydrophobicContact CB-CB 4.36Å; A151-R162 HydrophobicContact CB-CG 4.39Å
152	V	88.8	Confident	81.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.6	175.2	-177	0	0	0	0	108.6	I129 Y130 V131 I160 W161 I201 L222	I129-V152 HydrophobicContact CG2-CG1 3.24Å; Y130-V152 CarbonylContact O-C 3.46Å; Y130-V152 WeakPolarHBondContact O-CA 3.49Å; V131-V152 HydrophobicContact CG1-CG2 4.37Å; V131-V152 HydrophobicContact CG2-CG1 4.34Å; V131-V152 HydrophobicContact CG2-CG2 4.05Å; V152-I160 HydrophobicContact CG1-CD1 4.02Å; V152-I160 PolarHBondContact O-N 2.94Å; V152-W161 HydrophobicContact CB-CD2 4.27Å; V152-W161 HydrophobicContact CB-CZ2 4.22Å; V152-W161 HydrophobicContact CG2-CD2 4.01Å; V152-W161 HydrophobicContact CG2-CE3 4.38Å; V152-W161 HydrophobicContact CG2-CH2 3.69Å; V152-W161 HydrophobicContact CG2-CZ2 3.23Å; V152-W161 HydrophobicContact CG2-CZ3 4.25Å; V152-W161 PolarHBondContact N-O 3.37Å; V152-I201 HydrophobicContact CG2-CD1 4.03Å; V152-L222 HydrophobicContact CG1-CD1 4.42Å
153	Y	87	Confident	82.7	Confident	5 Å²	5	42.7 Å²	42.7	2%	0.02	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	145.2	-178.8	-56.7	-87.3	0	0	0	111.1	F112 I129 Y130 V132 E134 A151 N158 E159 R162	F112-Y153 HydrophobicContact CD1-CE1 4.34Å; F112-Y153 HydrophobicContact CE1-CD1 4.29Å; F112-Y153 AromaticContact CE1-CE1 3.73Å; F112-Y153 HydrophobicContact CE1-CE1 3.73Å; F112-Y153 HydrophobicContact CZ-CD1 4.32Å; F112-Y153 HydrophobicContact CZ-CE1 4.01Å; F112-Y153 HydrophobicContact CZ-CE2 4.45Å; I129-Y153 CarbonylContact C-O 3.6Å; I129-Y153 WeakPolarHBondContact CA-O 3.36Å; I129-Y153 WeakPolarHBondContact CG2-O 3.36Å; Y130-Y153 PolarHBondContact N-O 2.88Å; Y130-Y153 PolarHBondContact O-N 2.93Å; V132-Y153 HydrophobicContact CB-CE2 4.04Å; V132-Y153 HydrophobicContact CG2-CD2 3.83Å; V132-Y153 HydrophobicContact CG2-CE2 3.66Å; E134-Y153 PolarHBondContact OE1-OH 2.83Å; A151-Y153 HydrophobicContact CB-CE2 3.72Å; Y153-N158 CarbonylContact C-O 3.5Å; Y153-N158 WeakPolarHBondContact CA-O 3.47Å; Y153-E159 HydrophobicContact CD1-CB 4.16Å; Y153-E159 HydrophobicContact CE1-CB 4.04Å; Y153-E159 HydrophobicContact CE1-CG 4.47Å; Y153-R162 PolarHBondContact OH-NH2 3.47Å
154	D	85.2	Confident	83.7	Confident	45 Å²	45	42.5 Å²	42.5	24%	0.241	21%	0.213	C	C	.	.			trans	-78.4	-176.3	174.4	73.3	4.5	0	0	0	112.5	L128 Y130 Q156 L157 N158 I160	L128-D154 CarbonylContact O-C 2.85Å; Y130-D154 VanDerWaalsContact CD2-O 3.28Å; Y130-D154 WeakPolarHBondContact CD2-O 3.44Å; Y130-D154 VanDerWaalsContact CE2-O 3.28Å; Y130-D154 WeakPolarHBondContact CE2-O 3.29Å; D154-Q156 PolarHBondContact O-N 2.85Å; D154-Q156 VanDerWaalsContact O-N 3.17Å; D154-Q156 VanDerWaalsContact OD1-C 3.31Å; D154-Q156 VanDerWaalsContact OD1-CA 3.31Å; D154-Q156 WeakPolarHBondContact OD1-CA 3.45Å; D154-Q156 WeakPolarHBondContact OD1-CB 3.35Å; D154-Q156 PolarHBondContact OD1-N 2.77Å; D154-L157 PolarHBondContact O-N 3.21Å; D154-L157 PolarHBondContact OD1-N 2.89Å; D154-N158 PolarHBondContact N-O 2.91Å; D154-N158 WeakPolarHBondContact OD1-CB 3.3Å; D154-N158 PolarHBondContact OD1-N 3.43Å; D154-N158 WeakPolarHBondContact OD2-CB 3.25Å; D154-N158 PolarHBondContact OD2-ND2 3.04Å; D154-I160 HydrophobicContact CB-CD1 4.13Å; D154-I160 HydrophobicContact CB-CG1 4.12Å
155	N	81	Confident	84.4	Confident	75 Å²	75	41.3 Å²	41.3	40%	0.401	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24	179.5	87.3	22.9	0	0	0	113.1	L128 L157	L128-N155 HydrophobicContact CB-CB 4.21Å; L128-N155 WeakPolarHBondContact O-CA 3.44Å; L128-N155 PolarHBondContact O-N 2.85Å; N155-L157 VanDerWaalsContact C-N 3.28Å
156	Q	82	Confident	84.6	Confident	102 Å²	102	42.1 Å²	42.1	48%	0.477	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	1.8	179.8	-58.5	-168.4	-12.4	0	0	111.8	Q108 D154 N158	Q108-Q156 PolarHBondContact NE2-O 3.11Å; D154-Q156 PolarHBondContact O-N 2.85Å; D154-Q156 VanDerWaalsContact O-N 3.17Å; D154-Q156 VanDerWaalsContact OD1-C 3.31Å; D154-Q156 VanDerWaalsContact OD1-CA 3.31Å; D154-Q156 WeakPolarHBondContact OD1-CA 3.45Å; D154-Q156 WeakPolarHBondContact OD1-CB 3.35Å; D154-Q156 PolarHBondContact OD1-N 2.77Å; Q156-N158 VanDerWaalsContact C-N 3.26Å; Q156-N158 WeakPolarHBondContact CB-ND2 3.43Å; Q156-N158 PolarHBondContact O-N 2.69Å; Q156-N158 PolarHBondContact OE1-ND2 2.96Å
157	L	79.1	Confident	84.7	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	64	28.7	-173.5	-53.5	171.8	0	0	0	113.2	L76 Q108 N110 Y130 D154 N155	L76-L157 HydrophobicContact CD2-CD2 3.57Å; L76-L157 HydrophobicContact CG-CD2 3.99Å; L76-L157 WeakPolarHBondContact O-CD1 3.14Å; Q108-L157 HydrophobicContact CB-CD1 4.06Å; Q108-L157 HydrophobicContact CB-CG 4.48Å; Q108-L157 HydrophobicContact CG-CD1 4.2Å; N110-L157 HydrophobicContact CB-CB 3.67Å; N110-L157 HydrophobicContact CB-CD1 3.77Å; N110-L157 HydrophobicContact CB-CG 4.37Å; N110-L157 VanDerWaalsContact N-CD1 3.34Å; N110-L157 PolarHBondContact ND2-O 2.88Å; Y130-L157 HydrophobicContact CD2-CD2 3.5Å; Y130-L157 VanDerWaalsContact CD2-CD2 3.5Å; Y130-L157 HydrophobicContact CE2-CD2 3.41Å; Y130-L157 VanDerWaalsContact CE2-CD2 3.41Å; Y130-L157 HydrophobicContact CE2-CG 4.38Å; Y130-L157 HydrophobicContact CG-CD2 4.16Å; D154-L157 PolarHBondContact O-N 3.21Å; D154-L157 PolarHBondContact OD1-N 2.89Å; N155-L157 VanDerWaalsContact C-N 3.28Å
158	N	84	Confident	84.2	Confident	76 Å²	76	46.3 Å²	46.3	41%	0.406	23%	0.226	S	C	.	.			trans	-86.3	140.1	168.5	-55.9	-44.3	0	0	0	109.9	Y153 D154 Q156 I160	Y153-N158 CarbonylContact C-O 3.5Å; Y153-N158 WeakPolarHBondContact CA-O 3.47Å; D154-N158 PolarHBondContact N-O 2.91Å; D154-N158 WeakPolarHBondContact OD1-CB 3.3Å; D154-N158 PolarHBondContact OD1-N 3.43Å; D154-N158 WeakPolarHBondContact OD2-CB 3.25Å; D154-N158 PolarHBondContact OD2-ND2 3.04Å; Q156-N158 VanDerWaalsContact C-N 3.26Å; Q156-N158 WeakPolarHBondContact CB-ND2 3.43Å; Q156-N158 PolarHBondContact O-N 2.69Å; Q156-N158 PolarHBondContact OE1-ND2 2.96Å; N158-I160 PolarHBondContact O-N 2.95Å
159	E	86.3	Confident	83.4	Confident	93 Å²	93	49.4 Å²	49.4	44%	0.435	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	119	178.7	-173.8	175.5	143	0	0	110.4	Y153 R162	Y153-E159 HydrophobicContact CD1-CB 4.16Å; Y153-E159 HydrophobicContact CE1-CB 4.04Å; Y153-E159 HydrophobicContact CE1-CG 4.47Å; E159-R162 WeakPolarHBondContact OE1-CB 3.26Å; E159-R162 IonicContact OE1-CZ 3.7Å; E159-R162 IonicContact OE1-NH1 2.69Å; E159-R162 PolarHBondContact OE1-NH1 2.81Å; E159-R162 IonicContact OE2-CZ 3.96Å; E159-R162 IonicContact OE2-NH1 3.17Å; E159-R162 PolarHBondContact OE2-NH1 2.79Å; E159-R162 IonicContact OE2-NH2 3.59Å; E159-R162 PolarHBondContact OE2-NH2 2.93Å
160	I	87.1	Confident	82.1	Confident	87 Å²	87	49.7 Å²	49.7	45%	0.446	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-52.4	172.8	-52.2	-176.8	0	0	0	108.8	I129 V152 D154 N158	I129-I160 HydrophobicContact CD1-CD1 4.49Å; V152-I160 HydrophobicContact CG1-CD1 4.02Å; V152-I160 PolarHBondContact O-N 2.94Å; D154-I160 HydrophobicContact CB-CD1 4.13Å; D154-I160 HydrophobicContact CB-CG1 4.12Å; N158-I160 PolarHBondContact O-N 2.95Å
161	W	91.4	Very high	80.5	Confident	26 Å²	26	54.7 Å²	54.7	10%	0.098	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	157.4	175.6	58.1	-99.7	0	0	0	111.1	I150 V152 R163 I201 L220 S221 L222 E223	I150-W161 HydrophobicContact CG2-CH2 4.42Å; I150-W161 HydrophobicContact CG2-CZ3 3.95Å; V152-W161 HydrophobicContact CB-CD2 4.27Å; V152-W161 HydrophobicContact CB-CZ2 4.22Å; V152-W161 HydrophobicContact CG2-CD2 4.01Å; V152-W161 HydrophobicContact CG2-CE3 4.38Å; V152-W161 HydrophobicContact CG2-CH2 3.69Å; V152-W161 HydrophobicContact CG2-CZ2 3.23Å; V152-W161 HydrophobicContact CG2-CZ3 4.25Å; V152-W161 PolarHBondContact N-O 3.37Å; W161-R163 HydrophobicContact CE3-CB 4.33Å; W161-R163 HydrophobicContact CZ3-CB 4.08Å; W161-I201 HydrophobicContact CH2-CD1 3.86Å; W161-I201 HydrophobicContact CZ2-CD1 3.72Å; W161-L220 HydrophobicContact CH2-CD1 4.3Å; W161-S221 WeakPolarHBondContact CZ2-O 3.3Å; W161-L222 PolarHBondContact NE1-O 2.91Å; W161-E223 VanDerWaalsContact CD1-O 3.32Å; W161-E223 PolarHBondContact NE1-O 2.93Å
162	R	89.6	Confident	78.6	Confident	61 Å²	61	64.6 Å²	64.6	23%	0.23	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145.7	171.8	177.1	-179.8	-74.4	112.2	8.6	110.2	R114 E134 E149 I150 A151 Y153 E159	R114-R162 VanDerWaalsContact NH2-NH1 3.15Å; E134-R162 IonicContact OE2-CZ 3.07Å; E134-R162 IonicContact OE2-NE 3.74Å; E134-R162 PolarHBondContact OE2-NE 2.83Å; E134-R162 IonicContact OE2-NH2 2.94Å; E134-R162 PolarHBondContact OE2-NH2 3.29Å; E149-R162 HydrophobicContact CB-CG 4.32Å; E149-R162 WeakPolarHBondContact OE2-CD 3.45Å; E149-R162 IonicContact OE2-NE 3.04Å; I150-R162 CarbonylContact O-C 3.58Å; I150-R162 VanDerWaalsContact O-CA 3.3Å; I150-R162 WeakPolarHBondContact O-CA 3.34Å; A151-R162 HydrophobicContact CB-CB 4.36Å; A151-R162 HydrophobicContact CB-CG 4.39Å; Y153-R162 PolarHBondContact OH-NH2 3.47Å; E159-R162 WeakPolarHBondContact OE1-CB 3.26Å; E159-R162 IonicContact OE1-CZ 3.7Å; E159-R162 IonicContact OE1-NH1 2.69Å; E159-R162 PolarHBondContact OE1-NH1 2.81Å; E159-R162 IonicContact OE2-CZ 3.96Å; E159-R162 IonicContact OE2-NH1 3.17Å; E159-R162 PolarHBondContact OE2-NH1 2.79Å; E159-R162 IonicContact OE2-NH2 3.59Å; E159-R162 PolarHBondContact OE2-NH2 2.93Å
163	R	88.8	Confident	76.6	Confident	96 Å²	96	69.8 Å²	69.8	36%	0.362	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	137.7	175	179.4	163.8	-98.9	-133.6	-7.1	111.5	E149 I150 W161 G225	E149-R163 CarbonylContact C-O 3.5Å; E149-R163 WeakPolarHBondContact CA-O 3.34Å; I150-R163 HydrophobicContact CG2-CB 4.16Å; I150-R163 PolarHBondContact N-O 2.89Å; I150-R163 PolarHBondContact O-N 3.21Å; W161-R163 HydrophobicContact CE3-CB 4.33Å; W161-R163 HydrophobicContact CZ3-CB 4.08Å; R163-G225 VanDerWaalsContact CD-O 3.22Å; R163-G225 WeakPolarHBondContact CD-O 3.48Å; R163-G225 PolarHBondContact NE-O 3.22Å; R163-G225 VanDerWaalsContact NE-O 3.16Å
164	A	86.2	Confident	74.7	Confident	59 Å²	59	76.5 Å²	76.5	49%	0.488	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	134.4	168.6	0	0	0	0	0	110	L147	L147-A164 HydrophobicContact CD1-CB 4.18Å; L147-A164 HydrophobicContact CD2-CB 4.39Å; L147-A164 HydrophobicContact CG-CB 4.47Å
165	L	82.1	Confident	73	Confident	25 Å²	25	76 Å²	76	13%	0.131	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-59.8	-179.8	-66	170.3	0	0	0	110.9	F148 I150 V203 L220	F148-L165 HydrophobicContact CB-CB 4.3Å; F148-L165 HydrophobicContact CB-CD1 4.46Å; F148-L165 PolarHBondContact O-N 2.8Å; I150-L165 HydrophobicContact CB-CD1 4.15Å; I150-L165 HydrophobicContact CB-CG 4.37Å; I150-L165 HydrophobicContact CG2-CD1 4.34Å; I150-L165 HydrophobicContact CG2-CD2 3.87Å; I150-L165 HydrophobicContact CG2-CG 4.04Å; L165-V203 HydrophobicContact CD1-CG1 3.82Å; L165-L220 HydrophobicContact CD2-CD1 4.2Å
166	Y	76.9	Confident	71.5	Confident	81 Å²	81	77.3 Å²	77.3	32%	0.318	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	153.1	-173.4	-161.4	-104.3	0	0	0	111.4	F148 V168 F205 T207	F148-Y166 PolarHBondContact N-O 2.79Å; Y166-V168 HydrophobicContact CD1-CG2 3.75Å; Y166-V168 HydrophobicContact CE1-CG2 4.03Å; Y166-F205 VanDerWaalsContact CB-CE2 3.48Å; Y166-F205 HydrophobicContact CD1-CE2 4.4Å; Y166-F205 AromaticContact CD2-CE2 3.98Å; Y166-F205 HydrophobicContact CD2-CE2 3.98Å; Y166-F205 HydrophobicContact CG-CD2 4.28Å; Y166-F205 AromaticContact CG-CE2 3.71Å; Y166-F205 HydrophobicContact CG-CE2 3.71Å; Y166-T207 HydrophobicContact CE1-CG2 4.32Å; Y166-T207 VanDerWaalsContact CE1-O 3.26Å; Y166-T207 WeakPolarHBondContact CE1-O 3.02Å; Y166-T207 HydrophobicContact CE2-CG2 4.16Å
167	Q	74.3	Confident	70.1	Confident	99 Å²	99	73.3 Å²	73.3	46%	0.463	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.4	177.9	-177.1	177.6	-0.9	0	0	109.3	Y145 V146 L147	Y145-Q167 HydrophobicContact CD1-CG 3.97Å; Y145-Q167 HydrophobicContact CG-CG 4.3Å; V146-Q167 CarbonylContact O-C 3.6Å; V146-Q167 WeakPolarHBondContact O-CA 3.3Å; L147-Q167 HydrophobicContact CD1-CB 4.16Å
168	V	70.2	Confident	68.8	Low	17 Å²	17	77.7 Å²	77.7	10%	0.103	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132.8	177	-175.4	0	0	0	0	109.1	Y145 V146 F148 Y166 N209	Y145-V168 CarbonylContact C-O 3.52Å; Y145-V168 WeakPolarHBondContact CA-O 3.43Å; V146-V168 PolarHBondContact N-O 2.97Å; V146-V168 PolarHBondContact O-N 3.09Å; F148-V168 HydrophobicContact CD2-CG2 4.36Å; F148-V168 HydrophobicContact CE2-CG2 3.77Å; Y166-V168 HydrophobicContact CD1-CG2 3.75Å; Y166-V168 HydrophobicContact CE1-CG2 4.03Å; V168-N209 WeakPolarHBondContact CG1-OD1 3.04Å
169	L	65.9	Low	67.4	Low	71 Å²	71	76.6 Å²	76.6	37%	0.372	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.1	170.5	-170.3	84.5	0	0	0	108.1	N143 Y145 N209	N143-L169 HydrophobicContact CB-CD1 3.87Å; Y145-L169 HydrophobicContact CD1-CB 4.44Å; Y145-L169 HydrophobicContact CD1-CD1 3.73Å; Y145-L169 HydrophobicContact CE1-CB 4.46Å; Y145-L169 HydrophobicContact CE1-CD1 3.15Å; Y145-L169 HydrophobicContact CE1-CG 4.38Å; L169-N209 PolarHBondContact O-ND2 3.17Å; L169-N209 PolarHBondContact O-OD1 2.89Å
170	L	61.5	Low	66.3	Low	26 Å²	26	72.9 Å²	72.9	14%	0.136	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-83	120.5	172	-79.5	158.6	0	0	0	109.1	S144 V146 V175 F177	S144-L170 WeakPolarHBondContact O-CB 3.39Å; S144-L170 PolarHBondContact O-N 3.42Å; V146-L170 HydrophobicContact CG2-CD1 3.35Å; V146-L170 HydrophobicContact CG2-CD2 4.11Å; V146-L170 HydrophobicContact CG2-CG 3.66Å; L170-V175 HydrophobicContact CD2-CB 4Å; L170-V175 HydrophobicContact CD2-CG2 3.63Å; L170-F177 HydrophobicContact CD1-CZ 4.47Å; L170-F177 HydrophobicContact CD2-CZ 4.14Å
171	D	54.9	Low	65.3	Low	105 Å²	105	69.1 Å²	69.1	56%	0.561	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-78.4	158	159.3	-78.9	-34.8	0	0	0	109.4	V173	D171-V173 PolarHBondContact O-N 2.95Å
172	E	48.7	Very low	64.5	Low	207 Å²	207	67.9 Å²	67.9	97%	0.967	35%	0.349	S	S	*	.	S	Bend	trans	-50.3	-1.9	-166.7	-69.3	-176.2	153.5	0	0	118.2
173	V	46.5	Very low	63.9	Low	109 Å²	109	65.1 Å²	65.1	66%	0.661	34%	0.339	S	S	*	.	S	Bend	trans	-89.5	120.4	177	-172.9	0	0	0	0	109.5	D171 V175	D171-V173 PolarHBondContact O-N 2.95Å; V173-V175 WeakPolarHBondContact O-CG2 3.38Å; V173-V175 PolarHBondContact O-N 2.79Å
174	D	47.4	Very low	63.5	Low	147 Å²	147	61 Å²	61	79%	0.786	32%	0.324	S	S	*	.			trans	-53.1	93.6	172.6	-92.2	-40.3	0	0	0	110.9	N176	D174-N176 PolarHBondContact O-N 2.92Å; D174-N176 VanDerWaalsContact O-N 3.14Å
175	V	48.6	Very low	63.3	Low	33 Å²	33	58.8 Å²	58.8	20%	0.2	31%	0.305	C	S	.	.			trans	-68.3	115.2	177.7	-177.6	0	0	0	0	107.9	L170 V173 F177	L170-V175 HydrophobicContact CD2-CB 4Å; L170-V175 HydrophobicContact CD2-CG2 3.63Å; V173-V175 WeakPolarHBondContact O-CG2 3.38Å; V173-V175 PolarHBondContact O-N 2.79Å; V175-F177 HydrophobicContact CB-CZ 4.42Å; V175-F177 WeakPolarHBondContact O-CD2 3.2Å; V175-F177 WeakPolarHBondContact O-CE2 3.34Å; V175-F177 PolarHBondContact O-N 3.07Å
176	N	50.9	Low	63.2	Low	104 Å²	104	59.3 Å²	59.3	56%	0.556	31%	0.306	S	S	*	.			trans	-71.4	96.4	172.8	-166	-10	0	0	0	108.7	D174 K178 S179	D174-N176 PolarHBondContact O-N 2.92Å; D174-N176 VanDerWaalsContact O-N 3.14Å; N176-K178 PolarHBondContact O-N 3.32Å; N176-K178 WeakPolarHBondContact OD1-CD 3.35Å; N176-K178 VanDerWaalsContact OD1-CG 3.3Å; N176-K178 WeakPolarHBondContact OD1-CG 3.13Å; N176-S179 PolarHBondContact O-N 2.88Å; N176-S179 PolarHBondContact O-OG 3.07Å
177	F	51.5	Low	63.4	Low	17 Å²	17	56 Å²	56	8%	0.075	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-56	-15	-172.8	-64	-80.8	0	0	0	114.7	K137 V146 L170 V175 S179 V180	K137-F177 HydrophobicContact CD-CE2 4.37Å; K137-F177 VanDerWaalsContact CE-CZ 3.41Å; K137-F177 HydrophobicContact CG-CZ 4.41Å; V146-F177 HydrophobicContact CB-CE1 4.27Å; V146-F177 HydrophobicContact CG1-CE1 3.94Å; V146-F177 HydrophobicContact CG2-CE1 3.45Å; V146-F177 VanDerWaalsContact CG2-CE1 3.45Å; V146-F177 HydrophobicContact CG2-CZ 3.61Å; L170-F177 HydrophobicContact CD1-CZ 4.47Å; L170-F177 HydrophobicContact CD2-CZ 4.14Å; V175-F177 HydrophobicContact CB-CZ 4.42Å; V175-F177 WeakPolarHBondContact O-CD2 3.2Å; V175-F177 WeakPolarHBondContact O-CE2 3.34Å; V175-F177 PolarHBondContact O-N 3.07Å; F177-S179 PolarHBondContact O-N 3.11Å; F177-V180 HydrophobicContact CD1-CG2 4.19Å; F177-V180 PolarHBondContact O-N 2.94Å
178	K	52.1	Low	63.5	Low	92 Å²	92	54.9 Å²	54.9	40%	0.4	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-54.8	-27.2	169.8	-62.4	-176.7	-172.5	-165.9	0	113.2	N41 N43 N176	N41-K178 PolarHBondContact OD1-NZ 2.9Å; N43-K178 WeakPolarHBondContact OD1-CE 3.14Å; N43-K178 PolarHBondContact OD1-NZ 2.99Å; N176-K178 PolarHBondContact O-N 3.32Å; N176-K178 WeakPolarHBondContact OD1-CD 3.35Å; N176-K178 VanDerWaalsContact OD1-CG 3.3Å; N176-K178 WeakPolarHBondContact OD1-CG 3.13Å
179	S	54.1	Low	63.8	Low	53 Å²	53	57.3 Å²	57.3	37%	0.371	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-94.5	-2.3	-176.9	67.2	0	0	0	0	114.1	N176 F177 P181	N176-S179 PolarHBondContact O-N 2.88Å; N176-S179 PolarHBondContact O-OG 3.07Å; F177-S179 PolarHBondContact O-N 3.11Å; S179-P181 WeakPolarHBondContact O-CD 3.35Å; S179-P181 VanDerWaalsContact O-N 3.17Å
180	V	63.3	Low	64.3	Low	15 Å²	15	58.2 Å²	58.2	9%	0.091	32%	0.317	C	S	.	.			trans	-68.8	116.6	-178.1	-173.4	0	0	0	0	108.8	F148 F177 I182 P206	F148-V180 HydrophobicContact CE1-CG1 4.15Å; F148-V180 HydrophobicContact CZ-CG1 3.75Å; F148-V180 HydrophobicContact CZ-CG2 4.38Å; F177-V180 HydrophobicContact CD1-CG2 4.19Å; F177-V180 PolarHBondContact O-N 2.94Å; V180-I182 HydrophobicContact CB-CG1 4.48Å; V180-I182 HydrophobicContact CG1-CD1 4.05Å; V180-I182 HydrophobicContact CG1-CG1 3.75Å; V180-I182 PolarHBondContact O-N 3.23Å; V180-P206 HydrophobicContact CG1-CG 3.93Å
181	P	67	Low	64.9	Low	8 Å²	8	58.6 Å²	58.6	5%	0.052	33%	0.327	C	S	.	.			trans	-67.8	91.9	177.4	23.2	-28.6	0	0	0	109.7	S179 P206 Y215 V289 C292 P322	S179-P181 WeakPolarHBondContact O-CD 3.35Å; S179-P181 VanDerWaalsContact O-N 3.17Å; P181-P206 HydrophobicContact CG-CB 4.28Å; P181-P206 HydrophobicContact CG-CG 3.94Å; P181-P206 WeakPolarHBondContact O-CD 3.35Å; P181-Y215 HydrophobicContact CB-CE2 3.87Å; P181-Y215 HydrophobicContact CG-CE2 4.2Å; P181-Y215 VanDerWaalsContact O-CE2 3.23Å; P181-Y215 WeakPolarHBondContact O-CE2 3.14Å; P181-Y215 PolarHBondContact O-OH 2.86Å; P181-V289 WeakPolarHBondContact CB-O 3.4Å; P181-C292 HydrophobicContact CB-CB 4.39Å; P181-C292 WeakPolarHBondContact CB-SG 3.33Å; P181-P322 HydrophobicContact CB-CG 4.2Å; P181-P322 HydrophobicContact CG-CG 4.35Å
182	I	74.9	Confident	65.7	Low	1 Å²	1	55.1 Å²	55.1	1%	0.005	31%	0.309	C	S	.	.			trans	-117.1	129.1	170.6	-56.5	-174.6	0	0	0	109	I117 R118 V133 F148 V180 V203 G204 F205	I117-I182 HydrophobicContact CD1-CD1 3.81Å; I117-I182 HydrophobicContact CG2-CB 4.41Å; I117-I182 HydrophobicContact CG2-CD1 4.16Å; I117-I182 HydrophobicContact CG2-CG1 4.46Å; R118-I182 HydrophobicContact CG-CB 4.32Å; R118-I182 HydrophobicContact CG-CG2 4.3Å; R118-I182 PolarHBondContact NE-O 3.02Å; V133-I182 HydrophobicContact CG1-CD1 3.95Å; V133-I182 HydrophobicContact CG1-CG2 4.16Å; V133-I182 HydrophobicContact CG2-CG2 4.46Å; F148-I182 HydrophobicContact CD1-CD1 3.65Å; F148-I182 HydrophobicContact CE1-CD1 3.73Å; F148-I182 HydrophobicContact CG-CD1 4.29Å; F148-I182 HydrophobicContact CZ-CD1 4.4Å; V180-I182 HydrophobicContact CB-CG1 4.48Å; V180-I182 HydrophobicContact CG1-CD1 4.05Å; V180-I182 HydrophobicContact CG1-CG1 3.75Å; V180-I182 PolarHBondContact O-N 3.23Å; I182-V203 HydrophobicContact CG2-CG1 4.39Å; I182-G204 WeakPolarHBondContact CA-O 3.23Å; I182-G204 WeakPolarHBondContact CG2-O 3.15Å; I182-F205 HydrophobicContact CG1-CB 4.46Å
183	S	76.9	Confident	66.9	Low	2 Å²	2	45.6 Å²	45.6	1%	0.014	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140.8	176.9	46.4	0	0	0	0	110.8	V203 G204 Y215 C292 I294	S183-V203 WeakPolarHBondContact O-CA 3.22Å; S183-G204 PolarHBondContact N-O 2.78Å; S183-G204 VanDerWaalsContact N-O 3.07Å; S183-G204 PolarHBondContact O-N 3.47Å; S183-Y215 PolarHBondContact N-OH 3.12Å; S183-Y215 PolarHBondContact OG-OH 3Å; S183-C292 WeakPolarHBondContact CB-O 3.38Å; S183-I294 WeakPolarHBondContact OG-CD1 3.03Å; S183-I294 VanDerWaalsContact OG-CG1 3.28Å; S183-I294 WeakPolarHBondContact OG-CG1 3.21Å
184	L	79.7	Confident	68.4	Low	9 Å²	9	46.5 Å²	46.5	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131.3	176.6	-77.5	174.3	0	0	0	109.4	R118 K120 V133 I150 I201 F202 V203	R118-L184 HydrophobicContact CB-CD1 3.49Å; R118-L184 VanDerWaalsContact CB-CD1 3.49Å; R118-L184 HydrophobicContact CB-CG 4.19Å; R118-L184 HydrophobicContact CG-CD1 4.48Å; K120-L184 HydrophobicContact CD-CB 4.3Å; K120-L184 WeakPolarHBondContact CE-O 3.14Å; K120-L184 PolarHBondContact NZ-O 2.89Å; V133-L184 HydrophobicContact CB-CD1 4.39Å; V133-L184 HydrophobicContact CG2-CD1 3.67Å; V133-L184 HydrophobicContact CG2-CD2 3.65Å; V133-L184 HydrophobicContact CG2-CG 3.89Å; I150-L184 HydrophobicContact CD1-CD2 4.09Å; L184-I201 HydrophobicContact CD2-CG2 4.31Å; L184-F202 WeakPolarHBondContact CA-O 3Å; L184-V203 HydrophobicContact CD2-CB 4.28Å; L184-V203 HydrophobicContact CD2-CG1 4.03Å; L184-V203 HydrophobicContact CD2-CG2 3.75Å
185	S	81.2	Confident	69.6	Low	14 Å²	14	44.7 Å²	44.7	10%	0.098	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	161.3	171.3	-162.4	0	0	0	0	111.1	F202 I294	S185-F202 PolarHBondContact N-O 2.75Å; S185-F202 PolarHBondContact O-N 3.21Å; S185-I294 WeakPolarHBondContact CB-O 3.35Å; S185-I294 PolarHBondContact OG-O 2.81Å
186	F	81.5	Confident	71.1	Confident	35 Å²	35	54.2 Å²	54.2	15%	0.154	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	144.3	-175.2	-56.2	-79.6	0	0	0	110.8	K120 L122 V131 V200 I201 L296	K120-F186 HydrophobicContact CB-CD2 4.46Å; K120-F186 HydrophobicContact CB-CE2 3.43Å; K120-F186 VanDerWaalsContact CB-CE2 3.43Å; K120-F186 HydrophobicContact CB-CZ 4.02Å; K120-F186 HydrophobicContact CD-CD2 3.98Å; K120-F186 HydrophobicContact CD-CE2 3.41Å; K120-F186 VanDerWaalsContact CD-CE2 3.41Å; K120-F186 HydrophobicContact CD-CZ 4.48Å; K120-F186 HydrophobicContact CG-CE2 4.02Å; L122-F186 HydrophobicContact CD2-CD1 3.46Å; L122-F186 VanDerWaalsContact CD2-CD1 3.46Å; L122-F186 HydrophobicContact CD2-CD2 4.05Å; L122-F186 HydrophobicContact CD2-CE1 3.58Å; L122-F186 HydrophobicContact CD2-CE2 4.14Å; L122-F186 HydrophobicContact CD2-CG 3.73Å; L122-F186 HydrophobicContact CD2-CZ 3.95Å; V131-F186 HydrophobicContact CB-CE1 3.9Å; V131-F186 HydrophobicContact CB-CZ 3.6Å; V131-F186 HydrophobicContact CG1-CE1 3.91Å; V131-F186 HydrophobicContact CG1-CZ 3.78Å; V131-F186 HydrophobicContact CG2-CE1 3.63Å; V131-F186 HydrophobicContact CG2-CZ 3.79Å; F186-V200 WeakPolarHBondContact CA-O 3.38Å; F186-I201 HydrophobicContact CD1-CB 4.12Å; F186-I201 HydrophobicContact CD1-CG1 3.81Å; F186-I201 HydrophobicContact CD1-CG2 4.01Å; F186-I201 HydrophobicContact CE1-CB 3.99Å; F186-I201 HydrophobicContact CE1-CD1 4.11Å; F186-I201 HydrophobicContact CE1-CG1 3.7Å; F186-I201 HydrophobicContact CE1-CG2 3.49Å; F186-I201 VanDerWaalsContact CE1-CG2 3.49Å; F186-I201 HydrophobicContact CZ-CG2 4.28Å; F186-L296 WeakPolarHBondContact O-CD1 3.15Å
187	D	80.1	Confident	72.4	Confident	11 Å²	11	50.3 Å²	50.3	6%	0.059	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.1	161.9	176.1	25.6	0	0	0	108.4	T189 L192 G199 V200 F202 L296	D187-T189 WeakPolarHBondContact OD1-CB 3.46Å; D187-T189 PolarHBondContact OD1-N 2.74Å; D187-T189 PolarHBondContact OD1-OG1 3.07Å; D187-T189 PolarHBondContact OD2-OG1 3.47Å; D187-L192 WeakPolarHBondContact OD2-CB 3.46Å; D187-L192 WeakPolarHBondContact OD2-CD2 3.34Å; D187-G199 CarbonylContact O-C 3.59Å; D187-G199 WeakPolarHBondContact O-CA 3.48Å; D187-V200 PolarHBondContact N-O 3.1Å; D187-V200 PolarHBondContact O-N 3.45Å; D187-F202 HydrophobicContact CB-CE2 3.98Å; D187-L296 HydrophobicContact CB-CD1 3.78Å
188	L	77.1	Confident	73.8	Confident	77 Å²	77	50.9 Å²	50.9	40%	0.403	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-3.6	178.4	-60	172.1	0	0	0	112.2	L122 F123 Y124 L222	L122-L188 HydrophobicContact CD1-CD2 4.08Å; F123-L188 WeakPolarHBondContact O-CD1 3.31Å; Y124-L188 HydrophobicContact CD2-CD2 4.01Å; L188-L222 HydrophobicContact CD2-CD2 4.15Å
189	T	76.4	Confident	75.2	Confident	68 Å²	68	46.5 Å²	46.5	42%	0.417	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	136	-178.6	64.3	0	0	0	0	110.9	D187 L192	D187-T189 WeakPolarHBondContact OD1-CB 3.46Å; D187-T189 PolarHBondContact OD1-N 2.74Å; D187-T189 PolarHBondContact OD1-OG1 3.07Å; D187-T189 PolarHBondContact OD2-OG1 3.47Å; T189-L192 WeakPolarHBondContact OG1-CB 2.98Å
190	C	77.2	Confident	76.6	Confident	89 Å²	89	44.1 Å²	44.1	60%	0.601	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77	133.2	177.6	-72.5	0	0	0	0	110.5	L192 C198	C190-L192 PolarHBondContact O-N 2.96Å; C190-C198 HydrophobicContact CB-CB 4.14Å; C190-C198 WeakPolarHBondContact CB-SG 2.92Å; C190-C198 WeakPolarHBondContact SG-CB 3.17Å; C190-C198 CovalentContact SG-SG 2.04Å; C190-C198 PolarHBondContact SG-SG 2.77Å
191	G	72.1	Confident	77.7	Confident	34 Å²	34	43.4 Å²	43.4	35%	0.351	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	3.2	168.9	0	0	0	0	0	115.9	Y194 V197	G191-Y194 VanDerWaalsContact CA-O 3.3Å; G191-Y194 WeakPolarHBondContact CA-O 3.07Å; G191-V197 PolarHBondContact N-O 3.07Å; G191-V197 VanDerWaalsContact N-O 3.07Å
192	L	73.6	Confident	78.7	Confident	33 Å²	33	43.2 Å²	43.2	17%	0.173	23%	0.23	C	C	.	.	S	Bend	trans	-73.5	-55.7	-174.2	-157.6	92.4	0	0	0	112.3	D187 T189 C190 P314 L330	D187-L192 WeakPolarHBondContact OD2-CB 3.46Å; D187-L192 WeakPolarHBondContact OD2-CD2 3.34Å; T189-L192 WeakPolarHBondContact OG1-CB 2.98Å; C190-L192 PolarHBondContact O-N 2.96Å; L192-P314 HydrophobicContact CD2-CG 3.83Å; L192-L330 HydrophobicContact CD2-CD2 3.35Å; L192-L330 HydrophobicContact CG-CD2 3.86Å
193	V	73.7	Confident	79.2	Confident	7 Å²	7	43.2 Å²	43.2	4%	0.042	23%	0.23	C	C	.	.	S	Bend	trans	-81	-48.1	176.4	-178.5	0	0	0	0	110.8	V200 F202 L228 L330	V193-V200 HydrophobicContact CB-CG2 4.02Å; V193-V200 HydrophobicContact CG2-CB 4.22Å; V193-V200 HydrophobicContact CG2-CG1 4.23Å; V193-V200 HydrophobicContact CG2-CG2 3.83Å; V193-F202 HydrophobicContact CG2-CE1 4.45Å; V193-F202 HydrophobicContact CG2-CZ 3.85Å; V193-L228 HydrophobicContact CB-CD1 4.5Å; V193-L228 HydrophobicContact CG1-CD1 3.95Å; V193-L330 HydrophobicContact CG2-CD1 3.9Å; V193-L330 HydrophobicContact CG2-CD2 4.45Å; V193-L330 HydrophobicContact CG2-CG 3.96Å
194	Y	77	Confident	79.5	Confident	127 Å²	127	43.1 Å²	43.1	50%	0.498	23%	0.229	S	C	.	.	S	Bend	trans	-136.1	131.8	-178.1	-127.6	-92.5	0	0	0	109.5	G191 R196 V197 L228	G191-Y194 VanDerWaalsContact CA-O 3.3Å; G191-Y194 WeakPolarHBondContact CA-O 3.07Å; Y194-R196 PolarHBondContact O-N 3.47Å; Y194-V197 PolarHBondContact O-N 2.86Å; Y194-L228 HydrophobicContact CD2-CD2 4.48Å
195	P	73.7	Confident	79.6	Confident	110 Å²	110	42.8 Å²	42.8	71%	0.714	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-14.9	-167.6	19.1	-31	0	0	0	115.4
196	R	79.2	Confident	79.3	Confident	233 Å²	233	42.8 Å²	42.8	88%	0.879	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114	-2.4	179.9	-66.7	-173.3	178.9	174.4	0.4	114.2	Y194	Y194-R196 PolarHBondContact O-N 3.47Å
197	V	78.9	Confident	78.7	Confident	22 Å²	22	41.5 Å²	41.5	13%	0.133	22%	0.222	C	C	.	.			trans	-102.5	130.7	-176.5	-179.9	0	0	0	0	108.7	G191 Y194 V200 L228	G191-V197 PolarHBondContact N-O 3.07Å; G191-V197 VanDerWaalsContact N-O 3.07Å; Y194-V197 PolarHBondContact O-N 2.86Å; V197-V200 HydrophobicContact CG1-CG2 4.19Å; V197-L228 HydrophobicContact CG1-CD1 4.47Å; V197-L228 HydrophobicContact CG2-CD2 4.14Å
198	C	79.7	Confident	77.8	Confident	29 Å²	29	45.2 Å²	45.2	20%	0.196	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.1	173	-70	0	0	0	0	107.9	Y124 C190	Y124-C198 HydrophobicContact CE2-CB 4.32Å; Y124-C198 WeakPolarHBondContact CE2-O 3.38Å; Y124-C198 WeakPolarHBondContact OH-CB 3.2Å; Y124-C198 PolarHBondContact OH-O 3.23Å; C190-C198 HydrophobicContact CB-CB 4.14Å; C190-C198 WeakPolarHBondContact CB-SG 2.92Å; C190-C198 WeakPolarHBondContact SG-CB 3.17Å; C190-C198 CovalentContact SG-SG 2.04Å; C190-C198 PolarHBondContact SG-SG 2.77Å
199	G	81	Confident	76.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91	111.7	-176.3	0	0	0	0	0	112.6	D187 L222	D187-G199 CarbonylContact O-C 3.59Å; D187-G199 WeakPolarHBondContact O-CA 3.48Å; G199-L222 WeakPolarHBondContact O-CB 3.18Å; G199-L222 PolarHBondContact O-N 2.95Å
200	V	84.9	Confident	75.3	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136.9	176.2	-176.3	0	0	0	0	109.7	F186 D187 V193 V197 F202 L220 L228	F186-V200 WeakPolarHBondContact CA-O 3.38Å; D187-V200 PolarHBondContact N-O 3.1Å; D187-V200 PolarHBondContact O-N 3.45Å; V193-V200 HydrophobicContact CB-CG2 4.02Å; V193-V200 HydrophobicContact CG2-CB 4.22Å; V193-V200 HydrophobicContact CG2-CG1 4.23Å; V193-V200 HydrophobicContact CG2-CG2 3.83Å; V197-V200 HydrophobicContact CG1-CG2 4.19Å; V200-F202 HydrophobicContact CB-CE2 4.32Å; V200-F202 HydrophobicContact CB-CZ 4.11Å; V200-F202 HydrophobicContact CG1-CD1 4.28Å; V200-F202 HydrophobicContact CG1-CE1 3.66Å; V200-F202 HydrophobicContact CG1-CE2 4.07Å; V200-F202 HydrophobicContact CG1-CZ 3.56Å; V200-L220 CarbonylContact C-O 3.24Å; V200-L220 WeakPolarHBondContact CA-O 3.07Å; V200-L228 HydrophobicContact CB-CD1 4.49Å; V200-L228 HydrophobicContact CG1-CD1 3.89Å; V200-L228 HydrophobicContact CG2-CD1 3.77Å
201	I	86.1	Confident	73.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.6	174.1	-47.4	180	0	0	0	108.1	V131 I150 V152 W161 L184 F186 V203 S219 L220 L222	V131-I201 HydrophobicContact CG1-CD1 4.19Å; V131-I201 HydrophobicContact CG2-CD1 4.29Å; I150-I201 HydrophobicContact CD1-CD1 4.42Å; I150-I201 HydrophobicContact CD1-CG2 3.9Å; V152-I201 HydrophobicContact CG2-CD1 4.03Å; W161-I201 HydrophobicContact CH2-CD1 3.86Å; W161-I201 HydrophobicContact CZ2-CD1 3.72Å; L184-I201 HydrophobicContact CD2-CG2 4.31Å; F186-I201 HydrophobicContact CD1-CB 4.12Å; F186-I201 HydrophobicContact CD1-CG1 3.81Å; F186-I201 HydrophobicContact CD1-CG2 4.01Å; F186-I201 HydrophobicContact CE1-CB 3.99Å; F186-I201 HydrophobicContact CE1-CD1 4.11Å; F186-I201 HydrophobicContact CE1-CG1 3.7Å; F186-I201 HydrophobicContact CE1-CG2 3.49Å; F186-I201 VanDerWaalsContact CE1-CG2 3.49Å; F186-I201 HydrophobicContact CZ-CG2 4.28Å; I201-V203 HydrophobicContact CG2-CG2 3.95Å; I201-S219 CarbonylContact O-C 3.59Å; I201-S219 WeakPolarHBondContact O-CA 3.38Å; I201-L220 HydrophobicContact CB-CB 4.26Å; I201-L220 PolarHBondContact N-O 3.35Å; I201-L220 PolarHBondContact O-N 3.33Å; I201-L222 HydrophobicContact CD1-CD1 3.73Å; I201-L222 HydrophobicContact CG1-CB 4.33Å; I201-L222 HydrophobicContact CG1-CD1 3.94Å
202	F	86.9	Confident	72.9	Confident	4 Å²	4	46 Å²	46	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.4	171.1	-56.1	-73.6	0	0	0	109.3	L184 S185 D187 V193 V200 I218 W229 I294 L296 I317 L330	L184-F202 WeakPolarHBondContact CA-O 3Å; S185-F202 PolarHBondContact N-O 2.75Å; S185-F202 PolarHBondContact O-N 3.21Å; D187-F202 HydrophobicContact CB-CE2 3.98Å; V193-F202 HydrophobicContact CG2-CE1 4.45Å; V193-F202 HydrophobicContact CG2-CZ 3.85Å; V200-F202 HydrophobicContact CB-CE2 4.32Å; V200-F202 HydrophobicContact CB-CZ 4.11Å; V200-F202 HydrophobicContact CG1-CD1 4.28Å; V200-F202 HydrophobicContact CG1-CE1 3.66Å; V200-F202 HydrophobicContact CG1-CE2 4.07Å; V200-F202 HydrophobicContact CG1-CZ 3.56Å; F202-I218 WeakPolarHBondContact CA-O 3.48Å; F202-W229 HydrophobicContact CD1-CH2 4.3Å; F202-W229 AromaticContact CD1-CZ2 3.96Å; F202-W229 HydrophobicContact CD1-CZ2 3.96Å; F202-W229 AromaticContact CE1-CZ2 3.74Å; F202-W229 HydrophobicContact CE1-CZ2 3.74Å; F202-I294 HydrophobicContact CB-CD1 4.39Å; F202-I294 HydrophobicContact CB-CG2 4.09Å; F202-L296 HydrophobicContact CD2-CD2 4.43Å; F202-L296 HydrophobicContact CE2-CD1 4.47Å; F202-L296 HydrophobicContact CE2-CD2 3.78Å; F202-L296 HydrophobicContact CE2-CG 4.48Å; F202-L296 HydrophobicContact CZ-CD2 4.25Å; F202-I317 HydrophobicContact CD1-CD1 3.37Å; F202-I317 HydrophobicContact CD2-CD1 4.42Å; F202-I317 HydrophobicContact CE1-CD1 3.26Å; F202-I317 HydrophobicContact CE1-CG1 4.46Å; F202-I317 HydrophobicContact CE2-CD1 4.33Å; F202-I317 HydrophobicContact CG-CD1 3.97Å; F202-I317 HydrophobicContact CZ-CD1 3.76Å; F202-L330 HydrophobicContact CE1-CD1 4.24Å; F202-L330 HydrophobicContact CE2-CD1 4.36Å; F202-L330 HydrophobicContact CZ-CD1 3.62Å
203	V	86.2	Confident	72	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.6	179	-166.4	0	0	0	0	108.9	V133 I150 L165 I182 S183 L184 I201 F205 T217 I218 L220	V133-V203 HydrophobicContact CG2-CG1 4.46Å; I150-V203 HydrophobicContact CD1-CG2 3.65Å; L165-V203 HydrophobicContact CD1-CG1 3.82Å; I182-V203 HydrophobicContact CG2-CG1 4.39Å; S183-V203 WeakPolarHBondContact O-CA 3.22Å; L184-V203 HydrophobicContact CD2-CB 4.28Å; L184-V203 HydrophobicContact CD2-CG1 4.03Å; L184-V203 HydrophobicContact CD2-CG2 3.75Å; I201-V203 HydrophobicContact CG2-CG2 3.95Å; V203-F205 HydrophobicContact CG1-CD1 4.37Å; V203-T217 CarbonylContact O-C 3.53Å; V203-T217 VanDerWaalsContact O-CA 3.3Å; V203-T217 WeakPolarHBondContact O-CA 3.47Å; V203-I218 PolarHBondContact N-O 2.83Å; V203-I218 PolarHBondContact O-N 3.16Å; V203-L220 HydrophobicContact CG2-CD1 4.1Å
204	G	82.5	Confident	71.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.1	171.9	0	0	0	0	0	110.6	I182 S183 Y215 S216	I182-G204 WeakPolarHBondContact CA-O 3.23Å; I182-G204 WeakPolarHBondContact CG2-O 3.15Å; S183-G204 PolarHBondContact N-O 2.78Å; S183-G204 VanDerWaalsContact N-O 3.07Å; S183-G204 PolarHBondContact O-N 3.47Å; G204-Y215 VanDerWaalsContact C-CZ 3.5Å; G204-Y215 PolarHBondContact O-OH 3.01Å; G204-Y215 VanDerWaalsContact O-OH 3.11Å; G204-S216 CarbonylContact C-O 3.59Å; G204-S216 VanDerWaalsContact CA-O 3.26Å; G204-S216 WeakPolarHBondContact CA-O 3.44Å
205	F	82.2	Confident	71.5	Confident	1 Å²	1	44.7 Å²	44.7	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	153	179.8	59.9	-88.5	0	0	0	112	Y166 I182 V203 T207 S216 I218 L232	Y166-F205 VanDerWaalsContact CB-CE2 3.48Å; Y166-F205 HydrophobicContact CD1-CE2 4.4Å; Y166-F205 AromaticContact CD2-CE2 3.98Å; Y166-F205 HydrophobicContact CD2-CE2 3.98Å; Y166-F205 HydrophobicContact CG-CD2 4.28Å; Y166-F205 AromaticContact CG-CE2 3.71Å; Y166-F205 HydrophobicContact CG-CE2 3.71Å; I182-F205 HydrophobicContact CG1-CB 4.46Å; V203-F205 HydrophobicContact CG1-CD1 4.37Å; F205-T207 HydrophobicContact CE2-CG2 4.1Å; F205-S216 PolarHBondContact N-O 2.81Å; F205-S216 PolarHBondContact O-N 2.99Å; F205-I218 HydrophobicContact CE1-CB 4.46Å; F205-I218 HydrophobicContact CE1-CD1 3.48Å; F205-I218 VanDerWaalsContact CE1-CD1 3.48Å; F205-I218 HydrophobicContact CE1-CG1 3.71Å; F205-I218 HydrophobicContact CZ-CD1 3.6Å; F205-I218 HydrophobicContact CZ-CG1 4.09Å; F205-L232 HydrophobicContact CZ-CD2 4.06Å
206	P	75.9	Confident	72	Confident	15 Å²	15	39.5 Å²	39.5	10%	0.097	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	143.9	174.5	33.6	-36.8	0	0	0	111	V180 P181	V180-P206 HydrophobicContact CG1-CG 3.93Å; P181-P206 HydrophobicContact CG-CB 4.28Å; P181-P206 HydrophobicContact CG-CG 3.94Å; P181-P206 WeakPolarHBondContact O-CD 3.35Å
207	T	67.7	Low	72.3	Confident	8 Å²	8	28.6 Å²	28.6	5%	0.049	17%	0.167	C	C	.	.			trans	-96	-29.3	177.8	45.2	0	0	0	0	113.7	Y166 F205 S216 V233	Y166-T207 HydrophobicContact CE1-CG2 4.32Å; Y166-T207 VanDerWaalsContact CE1-O 3.26Å; Y166-T207 WeakPolarHBondContact CE1-O 3.02Å; Y166-T207 HydrophobicContact CE2-CG2 4.16Å; F205-T207 HydrophobicContact CE2-CG2 4.1Å; T207-S216 WeakPolarHBondContact CG2-OG 3.45Å; T207-V233 HydrophobicContact CG2-CG2 4.23Å; T207-V233 WeakPolarHBondContact OG1-CG2 3.48Å
208	N	60.8	Low	72.8	Confident	88 Å²	88	28 Å²	28	47%	0.471	16%	0.163	S	C	.	.	S	Bend	trans	-109.2	148.1	-177.8	-82.4	-11	0	0	0	113.4	I210	N208-I210 PolarHBondContact O-N 2.94Å
209	N	51.6	Low	73.3	Confident	46 Å²	46	26.6 Å²	26.6	25%	0.246	15%	0.154	C	C	.	.	S	Bend	trans	-58.3	110.4	173.3	-99.7	-6.9	0	0	0	109.9	V168 L169 S211	V168-N209 WeakPolarHBondContact CG1-OD1 3.04Å; L169-N209 PolarHBondContact O-ND2 3.17Å; L169-N209 PolarHBondContact O-OD1 2.89Å; N209-S211 PolarHBondContact O-N 3.29Å
210	I	49.2	Very low	73.7	Confident	127 Å²	127	26.6 Å²	26.6	65%	0.651	15%	0.154	S	C	*	.	S	Bend	trans	75.6	-28.9	152.5	-51.9	159.2	0	0	0	115.3	N208	N208-I210 PolarHBondContact O-N 2.94Å
211	S	46.3	Very low	73.9	Confident	76 Å²	76	26.7 Å²	26.7	53%	0.531	16%	0.155	S	C	.	.			trans	-94.1	105.3	168.2	65	0	0	0	0	110.2	N209 S213	N209-S211 PolarHBondContact O-N 3.29Å; S211-S213 PolarHBondContact O-N 2.84Å
212	V	54.7	Low	73.9	Confident	35 Å²	35	27 Å²	27	21%	0.212	16%	0.157	C	C	.	.			trans	-69.5	59.4	178.8	-164.5	0	0	0	0	110.5	P322 S323	V212-P322 HydrophobicContact CB-CB 4.41Å; V212-P322 HydrophobicContact CG1-CB 4.13Å; V212-P322 HydrophobicContact CG1-CG 4.05Å; V212-P322 HydrophobicContact CG2-CB 4.15Å; V212-P322 HydrophobicContact CG2-CG 4.17Å; V212-S323 WeakPolarHBondContact CG1-OG 3.11Å; V212-S323 WeakPolarHBondContact O-CB 3.03Å; V212-S323 PolarHBondContact O-OG 2.98Å
213	S	54.5	Low	73.8	Confident	87 Å²	87	30.3 Å²	30.3	61%	0.608	17%	0.172	S	C	*	.	S	Bend	trans	-79.4	-26.4	177.9	60	0	0	0	0	111.9	S211	S211-S213 PolarHBondContact O-N 2.84Å
214	H	63.9	Low	73.8	Confident	53 Å²	53	34.7 Å²	34.7	25%	0.245	20%	0.195	C	C	.	.			trans	-144.3	135.6	-178.4	-155.5	-75.2	0	0	0	110.6	H231 V233	H214-H231 AromaticContact CE1-CE1 3.57Å; H214-H231 AromaticContact CE1-ND1 3.85Å; H214-V233 HydrophobicContact CB-CG2 3.72Å
215	Y	75.3	Confident	73.9	Confident	1 Å²	1	34.8 Å²	34.8	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.1	176.2	-158.3	-105.9	0	0	0	108.5	P181 S183 G204 T217 C292 V319 H321	P181-Y215 HydrophobicContact CB-CE2 3.87Å; P181-Y215 HydrophobicContact CG-CE2 4.2Å; P181-Y215 VanDerWaalsContact O-CE2 3.23Å; P181-Y215 WeakPolarHBondContact O-CE2 3.14Å; P181-Y215 PolarHBondContact O-OH 2.86Å; S183-Y215 PolarHBondContact N-OH 3.12Å; S183-Y215 PolarHBondContact OG-OH 3Å; G204-Y215 VanDerWaalsContact C-CZ 3.5Å; G204-Y215 PolarHBondContact O-OH 3.01Å; G204-Y215 VanDerWaalsContact O-OH 3.11Å; Y215-T217 HydrophobicContact CD1-CG2 4.35Å; Y215-C292 VanDerWaalsContact OH-CB 3.22Å; Y215-C292 WeakPolarHBondContact OH-CB 3.32Å; Y215-C292 PolarHBondContact OH-SG 2.86Å; Y215-V319 HydrophobicContact CD1-CG1 3.43Å; Y215-V319 VanDerWaalsContact CD1-CG1 3.43Å; Y215-V319 HydrophobicContact CE1-CG1 3.47Å; Y215-V319 VanDerWaalsContact CE1-CG1 3.47Å; Y215-H321 HydrophobicContact CD1-CB 3.99Å; Y215-H321 HydrophobicContact CD2-CB 3.74Å; Y215-H321 HydrophobicContact CE1-CB 4.33Å; Y215-H321 HydrophobicContact CE2-CB 4.14Å; Y215-H321 HydrophobicContact CG-CB 3.65Å; Y215-H321 AromaticContact CG-CG 3.88Å
216	S	84	Confident	74.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	142.3	-176.3	-77.5	0	0	0	0	111.1	G204 F205 T207 H231	G204-S216 CarbonylContact C-O 3.59Å; G204-S216 VanDerWaalsContact CA-O 3.26Å; G204-S216 WeakPolarHBondContact CA-O 3.44Å; F205-S216 PolarHBondContact N-O 2.81Å; F205-S216 PolarHBondContact O-N 2.99Å; T207-S216 WeakPolarHBondContact CG2-OG 3.45Å; S216-H231 CarbonylContact C-O 3.46Å; S216-H231 WeakPolarHBondContact CA-O 3.3Å; S216-H231 VanDerWaalsContact CB-O 3.3Å; S216-H231 WeakPolarHBondContact CB-O 3.3Å; S216-H231 PolarHBondContact OG-O 2.89Å
217	T	85.8	Confident	74.7	Confident	4 Å²	4	43.1 Å²	43.1	3%	0.025	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.5	-177	68.1	0	0	0	0	109.9	V203 Y215 H230 H231 V319 L328	V203-T217 CarbonylContact O-C 3.53Å; V203-T217 VanDerWaalsContact O-CA 3.3Å; V203-T217 WeakPolarHBondContact O-CA 3.47Å; Y215-T217 HydrophobicContact CD1-CG2 4.35Å; T217-H230 CarbonylContact O-C 3.57Å; T217-H230 WeakPolarHBondContact O-CA 3.41Å; T217-H231 PolarHBondContact N-O 2.8Å; T217-H231 PolarHBondContact O-N 2.94Å; T217-H231 WeakPolarHBondContact OG1-CB 3.36Å; T217-V319 HydrophobicContact CG2-CB 4.29Å; T217-V319 HydrophobicContact CG2-CG1 3.97Å; T217-V319 HydrophobicContact CG2-CG2 3.79Å; T217-L328 HydrophobicContact CG2-CD1 3.92Å; T217-L328 WeakPolarHBondContact OG1-CD1 3.33Å
218	I	89.5	Confident	75.6	Confident	9 Å²	9	44.7 Å²	44.7	5%	0.046	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	138.1	179.4	-63.1	-177.8	0	0	0	108.4	F202 V203 F205 L220 I227 H230	F202-I218 WeakPolarHBondContact CA-O 3.48Å; V203-I218 PolarHBondContact N-O 2.83Å; V203-I218 PolarHBondContact O-N 3.16Å; F205-I218 HydrophobicContact CE1-CB 4.46Å; F205-I218 HydrophobicContact CE1-CD1 3.48Å; F205-I218 VanDerWaalsContact CE1-CD1 3.48Å; F205-I218 HydrophobicContact CE1-CG1 3.71Å; F205-I218 HydrophobicContact CZ-CD1 3.6Å; F205-I218 HydrophobicContact CZ-CG1 4.09Å; I218-L220 HydrophobicContact CG2-CD2 3.83Å; I218-L220 HydrophobicContact CG2-CG 4.01Å; I218-I227 HydrophobicContact CG2-CD1 4.47Å; I218-I227 HydrophobicContact CG2-CG1 3.87Å; I218-I227 HydrophobicContact CG2-CG2 4.3Å; I218-H230 HydrophobicContact CG1-CB 3.98Å
219	S	89.9	Confident	77	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.1	168.3	66.8	0	0	0	0	111.1	I201 I227 L228 W229	I201-S219 CarbonylContact O-C 3.59Å; I201-S219 WeakPolarHBondContact O-CA 3.38Å; S219-I227 WeakPolarHBondContact O-CA 3.4Å; S219-L228 PolarHBondContact O-N 3.29Å; S219-L228 WeakPolarHBondContact OG-CB 3.35Å; S219-W229 VanDerWaalsContact CB-CE2 3.42Å; S219-W229 PolarHBondContact N-O 2.84Å; S219-W229 PolarHBondContact OG-N 2.04Å; S219-W229 PolarHBondContact OG-NE1 2.85Å; S219-W229 VanDerWaalsContact OG-NE1 3.12Å; S219-W229 PolarHBondContact OG-O 2.9Å
220	L	90.4	Very high	78.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141.8	-177.5	-58	167.7	0	0	0	110.3	I150 W161 L165 V200 I201 V203 I218 K226 I227	I150-L220 HydrophobicContact CD1-CD1 4.17Å; I150-L220 HydrophobicContact CG2-CD1 3.8Å; W161-L220 HydrophobicContact CH2-CD1 4.3Å; L165-L220 HydrophobicContact CD2-CD1 4.2Å; V200-L220 CarbonylContact C-O 3.24Å; V200-L220 WeakPolarHBondContact CA-O 3.07Å; I201-L220 HydrophobicContact CB-CB 4.26Å; I201-L220 PolarHBondContact N-O 3.35Å; I201-L220 PolarHBondContact O-N 3.33Å; V203-L220 HydrophobicContact CG2-CD1 4.1Å; I218-L220 HydrophobicContact CG2-CD2 3.83Å; I218-L220 HydrophobicContact CG2-CG 4.01Å; L220-K226 CarbonylContact C-O 3.58Å; L220-K226 WeakPolarHBondContact CA-O 3.49Å; L220-I227 HydrophobicContact CD2-CB 4.3Å; L220-I227 HydrophobicContact CD2-CG1 3.41Å; L220-I227 VanDerWaalsContact CD2-CG1 3.41Å
221	S	89.1	Confident	80.3	Confident	6 Å²	6	37.4 Å²	37.4	4%	0.042	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	131.8	166.6	174.8	0	0	0	0	110.5	W161 E223 G225 K226	W161-S221 WeakPolarHBondContact CZ2-O 3.3Å; S221-E223 VanDerWaalsContact C-N 3.29Å; S221-E223 PolarHBondContact O-N 2.77Å; S221-E223 PolarHBondContact OG-N 3.07Å; S221-G225 VanDerWaalsContact O-CA 3.28Å; S221-G225 WeakPolarHBondContact O-CA 3.3Å; S221-G225 PolarHBondContact O-N 2.72Å; S221-K226 PolarHBondContact N-O 3.39Å
222	L	85.4	Confident	82	Confident	6 Å²	6	36.1 Å²	36.1	3%	0.031	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-30.9	177.5	-178.8	64.8	0	0	0	112.6	L122 Y124 V131 V152 W161 L188 G199 I201	L122-L222 HydrophobicContact CD1-CD1 4.31Å; L122-L222 HydrophobicContact CD1-CD2 3.75Å; L122-L222 HydrophobicContact CD2-CD1 4.23Å; Y124-L222 HydrophobicContact CD1-CD2 4.07Å; Y124-L222 HydrophobicContact CD2-CD2 3.64Å; Y124-L222 HydrophobicContact CE1-CD2 4.44Å; Y124-L222 HydrophobicContact CE2-CD2 4.03Å; Y124-L222 HydrophobicContact CG-CD2 3.64Å; V131-L222 HydrophobicContact CG2-CD1 4.32Å; V152-L222 HydrophobicContact CG1-CD1 4.42Å; W161-L222 PolarHBondContact NE1-O 2.91Å; L188-L222 HydrophobicContact CD2-CD2 4.15Å; G199-L222 WeakPolarHBondContact O-CB 3.18Å; G199-L222 PolarHBondContact O-N 2.95Å; I201-L222 HydrophobicContact CD1-CD1 3.73Å; I201-L222 HydrophobicContact CG1-CB 4.33Å; I201-L222 HydrophobicContact CG1-CD1 3.94Å
223	E	85.2	Confident	82.9	Confident	74 Å²	74	37.8 Å²	37.8	35%	0.346	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-47.9	-175.8	-63.6	-175.1	144.9	0	0	112.5	Y124 K125 W161 S221	Y124-E223 HydrophobicContact CE1-CG 4.24Å; Y124-E223 PolarHBondContact OH-OE1 2.86Å; K125-E223 IonicContact NZ-OE1 3.29Å; K125-E223 PolarHBondContact NZ-OE1 3.26Å; W161-E223 VanDerWaalsContact CD1-O 3.32Å; W161-E223 PolarHBondContact NE1-O 2.93Å; S221-E223 VanDerWaalsContact C-N 3.29Å; S221-E223 PolarHBondContact O-N 2.77Å; S221-E223 PolarHBondContact OG-N 3.07Å
224	D	85.4	Confident	83.5	Confident	92 Å²	92	35.3 Å²	35.3	49%	0.492	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-9.4	-168.5	-68	-8.1	0	0	0	113.9	K226	D224-K226 HydrophobicContact CB-CD 4.13Å; D224-K226 HydrophobicContact CB-CG 4Å; D224-K226 PolarHBondContact O-N 3.18Å; D224-K226 WeakPolarHBondContact OD2-CE 3.47Å; D224-K226 IonicContact OD2-NZ 2.87Å; D224-K226 PolarHBondContact OD2-NZ 2.81Å
225	G	85.2	Confident	83.7	Confident	2 Å²	2	35.8 Å²	35.8	2%	0.021	19%	0.189	C	C	.	.			trans	67.2	14.7	-172.4	0	0	0	0	0	114.8	R163 S221	R163-G225 VanDerWaalsContact CD-O 3.22Å; R163-G225 WeakPolarHBondContact CD-O 3.48Å; R163-G225 PolarHBondContact NE-O 3.22Å; R163-G225 VanDerWaalsContact NE-O 3.16Å; S221-G225 VanDerWaalsContact O-CA 3.28Å; S221-G225 WeakPolarHBondContact O-CA 3.3Å; S221-G225 PolarHBondContact O-N 2.72Å
226	K	88.2	Confident	83.2	Confident	122 Å²	122	38.4 Å²	38.4	53%	0.53	20%	0.2	S	C	.	.			trans	-66.9	134	175.2	-72.7	172.1	-178.1	146.9	0	110.5	L220 S221 D224 L228	L220-K226 CarbonylContact C-O 3.58Å; L220-K226 WeakPolarHBondContact CA-O 3.49Å; S221-K226 PolarHBondContact N-O 3.39Å; D224-K226 HydrophobicContact CB-CD 4.13Å; D224-K226 HydrophobicContact CB-CG 4Å; D224-K226 PolarHBondContact O-N 3.18Å; D224-K226 WeakPolarHBondContact OD2-CE 3.47Å; D224-K226 IonicContact OD2-NZ 2.87Å; D224-K226 PolarHBondContact OD2-NZ 2.81Å; K226-L228 PolarHBondContact O-N 3.15Å
227	I	87.4	Confident	81.9	Confident	70 Å²	70	44.6 Å²	44.6	36%	0.359	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	127.8	170.4	-72	159.6	0	0	0	108.5	I218 S219 L220	I218-I227 HydrophobicContact CG2-CD1 4.47Å; I218-I227 HydrophobicContact CG2-CG1 3.87Å; I218-I227 HydrophobicContact CG2-CG2 4.3Å; S219-I227 WeakPolarHBondContact O-CA 3.4Å; L220-I227 HydrophobicContact CD2-CB 4.3Å; L220-I227 HydrophobicContact CD2-CG1 3.41Å; L220-I227 VanDerWaalsContact CD2-CG1 3.41Å
228	L	86.8	Confident	80.1	Confident	40 Å²	40	50.7 Å²	50.7	21%	0.209	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-45.8	173.1	-53.8	173.2	0	0	0	109.8	V193 Y194 V197 V200 S219 K226	V193-L228 HydrophobicContact CB-CD1 4.5Å; V193-L228 HydrophobicContact CG1-CD1 3.95Å; Y194-L228 HydrophobicContact CD2-CD2 4.48Å; V197-L228 HydrophobicContact CG1-CD1 4.47Å; V197-L228 HydrophobicContact CG2-CD2 4.14Å; V200-L228 HydrophobicContact CB-CD1 4.49Å; V200-L228 HydrophobicContact CG1-CD1 3.89Å; V200-L228 HydrophobicContact CG2-CD1 3.77Å; S219-L228 PolarHBondContact O-N 3.29Å; S219-L228 WeakPolarHBondContact OG-CB 3.35Å; K226-L228 PolarHBondContact O-N 3.15Å
229	W	88.5	Confident	77.9	Confident	20 Å²	20	54.5 Å²	54.5	8%	0.076	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	165.4	172.4	55	-104.4	0	0	0	110.8	F202 S219 I317 L328 L330 G333	F202-W229 HydrophobicContact CD1-CH2 4.3Å; F202-W229 AromaticContact CD1-CZ2 3.96Å; F202-W229 HydrophobicContact CD1-CZ2 3.96Å; F202-W229 AromaticContact CE1-CZ2 3.74Å; F202-W229 HydrophobicContact CE1-CZ2 3.74Å; S219-W229 VanDerWaalsContact CB-CE2 3.42Å; S219-W229 PolarHBondContact N-O 2.84Å; S219-W229 PolarHBondContact OG-N 2.04Å; S219-W229 PolarHBondContact OG-NE1 2.85Å; S219-W229 VanDerWaalsContact OG-NE1 3.12Å; S219-W229 PolarHBondContact OG-O 2.9Å; W229-I317 HydrophobicContact CH2-CD1 3.72Å; W229-I317 HydrophobicContact CZ2-CD1 3.46Å; W229-I317 VanDerWaalsContact CZ2-CD1 3.46Å; W229-L328 HydrophobicContact CH2-CD1 4.48Å; W229-L328 HydrophobicContact CZ3-CD1 4.49Å; W229-L330 PolarHBondContact NE1-O 3.44Å; W229-G333 VanDerWaalsContact CE3-CA 3.43Å
230	H	88	Confident	75.6	Confident	75 Å²	75	65.7 Å²	65.7	35%	0.347	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	149.1	176.2	56.8	78.6	0	0	0	111.2	T217 I218 L232 D235	T217-H230 CarbonylContact O-C 3.57Å; T217-H230 WeakPolarHBondContact O-CA 3.41Å; I218-H230 HydrophobicContact CG1-CB 3.98Å; H230-L232 HydrophobicContact CB-CG 4.24Å; H230-D235 IonicContact CE1-OD1 2.78Å; H230-D235 PolarHBondContact CE1-OD1 3.3Å; H230-D235 IonicContact CE1-OD2 3.75Å; H230-D235 PolarHBondContact CE1-OD2 3.5Å; H230-D235 VanDerWaalsContact CE1-OD2 3.29Å; H230-D235 IonicContact CG-OD2 2.76Å; H230-D235 IonicContact ND1-OD1 3.84Å; H230-D235 IonicContact ND1-OD2 3.49Å; H230-D235 PolarHBondContact ND1-OD2 3.09Å
231	H	83.9	Confident	73.2	Confident	13 Å²	13	75 Å²	75	6%	0.06	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	87.7	170.8	179.3	-94.9	0	0	0	107.8	H214 S216 T217 F236 L328	H214-H231 AromaticContact CE1-CE1 3.57Å; H214-H231 AromaticContact CE1-ND1 3.85Å; S216-H231 CarbonylContact C-O 3.46Å; S216-H231 WeakPolarHBondContact CA-O 3.3Å; S216-H231 VanDerWaalsContact CB-O 3.3Å; S216-H231 WeakPolarHBondContact CB-O 3.3Å; S216-H231 PolarHBondContact OG-O 2.89Å; T217-H231 PolarHBondContact N-O 2.8Å; T217-H231 PolarHBondContact O-N 2.94Å; T217-H231 WeakPolarHBondContact OG1-CB 3.36Å; H231-F236 HydrophobicContact CB-CE2 4.17Å; H231-F236 AromaticContact CD2-CD2 3.46Å; H231-F236 VanDerWaalsContact CD2-CD2 3.46Å; H231-F236 WeakPolarHBondContact CD2-CD2 3.48Å; H231-F236 AromaticContact CD2-CE2 3.31Å; H231-F236 WeakPolarHBondContact CD2-CE2 3.19Å; H231-F236 AromaticContact NE2-CD2 3.98Å; H231-L328 HydrophobicContact CB-CD1 4.36Å
232	L	80.5	Confident	70.9	Confident	50 Å²	50	78.1 Å²	78.1	26%	0.262	40%	0.398	S	S	.	.			trans	-101.6	161.9	176.5	-55.8	174.2	0	0	0	110.3	F205 H230 G234 D235	F205-L232 HydrophobicContact CZ-CD2 4.06Å; H230-L232 HydrophobicContact CB-CG 4.24Å; L232-G234 PolarHBondContact O-N 3.15Å; L232-G234 VanDerWaalsContact O-N 3.11Å; L232-D235 WeakPolarHBondContact CA-OD2 3.28Å; L232-D235 WeakPolarHBondContact CB-OD2 3.42Å; L232-D235 PolarHBondContact N-OD2 3.49Å; L232-D235 PolarHBondContact O-N 3.37Å; L232-D235 VanDerWaalsContact O-N 3.16Å
233	V	73.9	Confident	68.9	Low	69 Å²	69	86.8 Å²	86.8	42%	0.418	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	118.6	173	-175.6	0	0	0	0	109	T207 H214	T207-V233 HydrophobicContact CG2-CG2 4.23Å; T207-V233 WeakPolarHBondContact OG1-CG2 3.48Å; H214-V233 HydrophobicContact CB-CG2 3.72Å
234	G	66.4	Low	66.9	Low	35 Å²	35	91.2 Å²	91.2	36%	0.361	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.4	-4.5	177	0	0	0	0	0	116.1	L232 F236 E237	L232-G234 PolarHBondContact O-N 3.15Å; L232-G234 VanDerWaalsContact O-N 3.11Å; G234-F236 PolarHBondContact O-N 3.33Å; G234-E237 PolarHBondContact O-N 2.72Å
235	D	70	Confident	64.9	Low	64 Å²	64	90.4 Å²	90.4	34%	0.342	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.5	177.7	-76.3	-22.5	0	0	0	112.9	H230 L232	H230-D235 IonicContact CE1-OD1 2.78Å; H230-D235 PolarHBondContact CE1-OD1 3.3Å; H230-D235 IonicContact CE1-OD2 3.75Å; H230-D235 PolarHBondContact CE1-OD2 3.5Å; H230-D235 VanDerWaalsContact CE1-OD2 3.29Å; H230-D235 IonicContact CG-OD2 2.76Å; H230-D235 IonicContact ND1-OD1 3.84Å; H230-D235 IonicContact ND1-OD2 3.49Å; H230-D235 PolarHBondContact ND1-OD2 3.09Å; L232-D235 WeakPolarHBondContact CA-OD2 3.28Å; L232-D235 WeakPolarHBondContact CB-OD2 3.42Å; L232-D235 PolarHBondContact N-OD2 3.49Å; L232-D235 PolarHBondContact O-N 3.37Å; L232-D235 VanDerWaalsContact O-N 3.16Å
236	F	63.8	Low	63	Low	55 Å²	55	97.2 Å²	97.2	24%	0.241	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.9	12.3	-177.8	-50.6	-63.2	0	0	0	112.8	H231 G234 D238 H334	H231-F236 HydrophobicContact CB-CE2 4.17Å; H231-F236 AromaticContact CD2-CD2 3.46Å; H231-F236 VanDerWaalsContact CD2-CD2 3.46Å; H231-F236 WeakPolarHBondContact CD2-CD2 3.48Å; H231-F236 AromaticContact CD2-CE2 3.31Å; H231-F236 WeakPolarHBondContact CD2-CE2 3.19Å; H231-F236 AromaticContact NE2-CD2 3.98Å; G234-F236 PolarHBondContact O-N 3.33Å; F236-D238 PolarHBondContact O-N 3.25Å; F236-H334 AromaticContact CD1-CE1 3.38Å; F236-H334 WeakPolarHBondContact CD1-CE1 3.35Å; F236-H334 AromaticContact CD1-ND1 3.17Å; F236-H334 WeakPolarHBondContact CD1-ND1 3.31Å; F236-H334 AromaticContact CE1-CE1 3.07Å; F236-H334 WeakPolarHBondContact CE1-CE1 3.36Å; F236-H334 AromaticContact CE1-ND1 2.98Å; F236-H334 WeakPolarHBondContact CE1-ND1 3.29Å; F236-H334 AromaticContact CZ-ND1 3.7Å
237	E	57	Low	61.1	Low	131 Å²	131	98.7 Å²	98.7	61%	0.612	50%	0.503	S	S	*	.			trans	-81.7	113.2	168.6	-73.6	-172	170	0	0	108.8	G234 S239	G234-E237 PolarHBondContact O-N 2.72Å; E237-S239 PolarHBondContact O-N 2.86Å
238	D	47.8	Very low	59.2	Low	131 Å²	131	99.1 Å²	99.1	70%	0.701	51%	0.508	S	S	*	.			trans	-57.6	118.5	169.6	-101.5	-20.5	0	0	0	108.9	F236 R240	F236-D238 PolarHBondContact O-N 3.25Å; D238-R240 PolarHBondContact O-N 3.31Å
239	S	42.8	Very low	57.4	Low	90 Å²	90	102.7 Å²	102.7	63%	0.629	53%	0.527	S	S	*	.			trans	-53.2	104.9	179.2	63.7	0	0	0	0	109.6	E237 K241 A242	E237-S239 PolarHBondContact O-N 2.86Å; S239-K241 PolarHBondContact O-N 3.25Å; S239-A242 PolarHBondContact O-N 3.22Å
240	R	42.6	Very low	55.7	Low	235 Å²	235	111.1 Å²	111.1	89%	0.887	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.2	-9.3	176.8	-81.2	-176.7	177	176.1	1.3	114	D238	D238-R240 PolarHBondContact O-N 3.31Å
241	K	39.1	Very low	54.2	Low	195 Å²	195	111.6 Å²	111.6	85%	0.848	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-5.3	-170.1	-68.1	-173.9	175.7	179.4	0	115.9	S239	S239-K241 PolarHBondContact O-N 3.25Å
242	A	40.3	Very low	53	Low	71 Å²	71	118.9 Å²	118.9	59%	0.587	60%	0.597	S	S	*	*	S	Bend	trans	-98.1	-11.2	-175.8	0	0	0	0	0	116	S239	S239-A242 PolarHBondContact O-N 3.22Å
243	Y	43.9	Very low	52	Low	188 Å²	188	123 Å²	123	74%	0.737	61%	0.612	S	S	*	*			trans	-121.4	10.2	-172	-79.2	-77.9	0	0	0	115.8	S245	Y243-S245 PolarHBondContact O-N 3.06Å
244	E	42.8	Very low	51.2	Low	167 Å²	167	122.9 Å²	122.9	78%	0.78	61%	0.609	S	S	*	*			trans	-74	42.2	164.7	-77	-175.9	155.3	0	0	112.2
245	S	45	Very low	50.4	Low	76 Å²	76	128 Å²	128	53%	0.531	62%	0.617	S	S	.	*			trans	-90.9	108	162.2	66.4	0	0	0	0	108.8	Y243 L247	Y243-S245 PolarHBondContact O-N 3.06Å; S245-L247 PolarHBondContact O-N 3.01Å
246	D	43.7	Very low	49.7	Very low	144 Å²	144	128.9 Å²	128.9	77%	0.77	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.5	18	-169.8	-86.9	-38.5	0	0	0	120.1
247	L	48.5	Very low	49.4	Very low	154 Å²	154	128.9 Å²	128.9	81%	0.806	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.1	-16.4	-174.4	-86.3	137.2	0	0	0	115.7	S245	S245-L247 PolarHBondContact O-N 3.01Å
248	V	48.8	Very low	48.9	Very low	78 Å²	78	126.1 Å²	126.1	47%	0.473	61%	0.614	S	S	.	*	S	Bend	trans	-91	-11.6	-176.7	-175.7	0	0	0	0	113	K250 I254	V248-K250 VanDerWaalsContact C-N 3.35Å; V248-K250 PolarHBondContact O-N 3.23Å; V248-I254 HydrophobicContact CG1-CG2 4.43Å
249	L	48.5	Very low	48.9	Very low	115 Å²	115	125.7 Å²	125.7	60%	0.602	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-0.3	-175.1	-79.3	162.8	0	0	0	115.8	R255	L249-R255 HydrophobicContact CD2-CG 4.23Å
250	K	52.5	Low	49	Very low	197 Å²	197	128.8 Å²	128.8	86%	0.857	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-14	179.4	-76.3	-174.3	178.4	178.2	0	114.7	V248	V248-K250 VanDerWaalsContact C-N 3.35Å; V248-K250 PolarHBondContact O-N 3.23Å
251	N	57.1	Low	48.8	Very low	85 Å²	85	121.5 Å²	121.5	46%	0.455	59%	0.585	S	S	.	*			trans	-102.5	100.4	-176.8	-145.1	-20.7	0	0	0	110.9	K253 I254 R255	N251-K253 PolarHBondContact O-N 3.04Å; N251-K253 VanDerWaalsContact O-N 3.16Å; N251-I254 HydrophobicContact CB-CB 4.35Å; N251-I254 HydrophobicContact CB-CD1 4.01Å; N251-I254 HydrophobicContact CB-CG1 4.2Å; N251-I254 PolarHBondContact O-N 2.9Å; N251-R255 PolarHBondContact O-N 3.31Å
252	W	58	Low	48.8	Very low	167 Å²	167	118.2 Å²	118.2	63%	0.633	57%	0.571	S	S	*	*	H	α-helix	trans	-57.7	-31	-173.3	68.1	-89.1	0	0	0	113.5	R255 I256	W252-R255 WeakPolarHBondContact O-CB 3.09Å; W252-R255 PolarHBondContact O-N 3.24Å; W252-I256 HydrophobicContact CE3-CD1 3.55Å; W252-I256 HydrophobicContact CE3-CG1 4.5Å; W252-I256 HydrophobicContact CZ3-CD1 3.72Å; W252-I256 WeakPolarHBondContact O-CG1 3.41Å; W252-I256 PolarHBondContact O-N 2.61Å
253	K	59.2	Low	48.7	Very low	136 Å²	136	118.1 Å²	118.1	59%	0.591	57%	0.566	S	S	*	*	H	α-helix	trans	-65.3	-41.4	174	-75.7	-175.6	175.8	-179	0	112.8	N251 R255 I256 S257	N251-K253 PolarHBondContact O-N 3.04Å; N251-K253 VanDerWaalsContact O-N 3.16Å; K253-R255 VanDerWaalsContact C-N 3.29Å; K253-I256 PolarHBondContact O-N 2.83Å; K253-S257 PolarHBondContact O-N 3.5Å; K253-S257 PolarHBondContact O-OG 3.11Å
254	I	56.7	Low	48.6	Very low	67 Å²	67	112.3 Å²	112.3	34%	0.344	55%	0.55	S	S	.	*	H	α-helix	trans	-70.5	-32.1	175.5	-60.7	176.7	0	0	0	109.8	V248 N251 S257 K258	V248-I254 HydrophobicContact CG1-CG2 4.43Å; N251-I254 HydrophobicContact CB-CB 4.35Å; N251-I254 HydrophobicContact CB-CD1 4.01Å; N251-I254 HydrophobicContact CB-CG1 4.2Å; N251-I254 PolarHBondContact O-N 2.9Å; I254-S257 PolarHBondContact O-OG 3.24Å; I254-S257 VanDerWaalsContact O-OG 3.1Å; I254-K258 HydrophobicContact CG2-CD 4Å; I254-K258 HydrophobicContact CG2-CG 4.33Å; I254-K258 WeakPolarHBondContact O-CB 3.48Å; I254-K258 VanDerWaalsContact O-CG 3.29Å; I254-K258 WeakPolarHBondContact O-CG 3.48Å; I254-K258 PolarHBondContact O-N 2.98Å
255	R	51.3	Low	48.8	Very low	142 Å²	142	108.4 Å²	108.4	54%	0.536	53%	0.532	S	S	.	.	H	α-helix	trans	-67.3	-40.9	174.6	-153.1	179.7	85.9	173.9	6.4	112.1	L249 N251 W252 K253 Q259	L249-R255 HydrophobicContact CD2-CG 4.23Å; N251-R255 PolarHBondContact O-N 3.31Å; W252-R255 WeakPolarHBondContact O-CB 3.09Å; W252-R255 PolarHBondContact O-N 3.24Å; K253-R255 VanDerWaalsContact C-N 3.29Å; R255-Q259 VanDerWaalsContact O-CB 3.32Å; R255-Q259 WeakPolarHBondContact O-CB 3.31Å; R255-Q259 PolarHBondContact O-N 2.94Å
256	I	55.2	Low	48.8	Very low	82 Å²	82	109.1 Å²	109.1	42%	0.421	53%	0.528	S	S	.	.	H	α-helix	trans	-68.9	-44.3	175.4	-68.8	175.3	0	0	0	111	W252 K253 K258 Q259 Y260	W252-I256 HydrophobicContact CE3-CD1 3.55Å; W252-I256 HydrophobicContact CE3-CG1 4.5Å; W252-I256 HydrophobicContact CZ3-CD1 3.72Å; W252-I256 WeakPolarHBondContact O-CG1 3.41Å; W252-I256 PolarHBondContact O-N 2.61Å; K253-I256 PolarHBondContact O-N 2.83Å; I256-K258 VanDerWaalsContact C-N 3.31Å; I256-K258 PolarHBondContact O-N 3.22Å; I256-Q259 PolarHBondContact O-N 3.4Å; I256-Y260 HydrophobicContact CG2-CD2 4.5Å; I256-Y260 WeakPolarHBondContact O-CB 2.92Å; I256-Y260 PolarHBondContact O-N 3.48Å
257	S	56.1	Low	49.5	Very low	55 Å²	55	108.9 Å²	108.9	39%	0.385	53%	0.527	S	S	.	.	H	α-helix	trans	-64.1	-38.7	177	72.7	0	0	0	0	111.5	K253 I254 Y260 L261	K253-S257 PolarHBondContact O-N 3.5Å; K253-S257 PolarHBondContact O-OG 3.11Å; I254-S257 PolarHBondContact O-OG 3.24Å; I254-S257 VanDerWaalsContact O-OG 3.1Å; S257-Y260 WeakPolarHBondContact O-CB 3.26Å; S257-Y260 PolarHBondContact O-N 3.33Å; S257-L261 VanDerWaalsContact O-CD1 3.24Å; S257-L261 WeakPolarHBondContact O-CD1 3.23Å; S257-L261 PolarHBondContact O-N 3.2Å
258	K	46.6	Very low	50.2	Low	74 Å²	74	103.7 Å²	103.7	32%	0.322	50%	0.499	S	S	.	.	H	α-helix	trans	-68.6	-40	173	-80.8	-176.9	167.3	-163	0	112.1	I254 I256 Y260 L261 F262	I254-K258 HydrophobicContact CG2-CD 4Å; I254-K258 HydrophobicContact CG2-CG 4.33Å; I254-K258 WeakPolarHBondContact O-CB 3.48Å; I254-K258 VanDerWaalsContact O-CG 3.29Å; I254-K258 WeakPolarHBondContact O-CG 3.48Å; I254-K258 PolarHBondContact O-N 2.98Å; I256-K258 VanDerWaalsContact C-N 3.31Å; I256-K258 PolarHBondContact O-N 3.22Å; K258-Y260 VanDerWaalsContact C-N 3.27Å; K258-Y260 PolarHBondContact O-N 3.49Å; K258-L261 CarbonylContact O-C 3.58Å; K258-L261 PolarHBondContact O-N 2.84Å; K258-L261 VanDerWaalsContact O-N 3.13Å; K258-F262 HydrophobicContact CB-CD2 3.68Å; K258-F262 HydrophobicContact CB-CE2 3.61Å; K258-F262 HydrophobicContact CD-CE2 3.86Å; K258-F262 HydrophobicContact CG-CD2 4.26Å; K258-F262 HydrophobicContact CG-CE2 3.68Å; K258-F262 VanDerWaalsContact O-CB 3.27Å; K258-F262 WeakPolarHBondContact O-CB 3.38Å; K258-F262 WeakPolarHBondContact O-CD2 3.47Å; K258-F262 WeakPolarHBondContact O-CG 3.44Å; K258-F262 PolarHBondContact O-N 2.98Å
259	Q	48.4	Very low	51	Low	121 Å²	121	100.5 Å²	100.5	57%	0.565	48%	0.48	S	S	*	.	H	α-helix	trans	-60.8	-38.5	172.9	-113.1	173.2	-46	0	0	111.7	R255 I256 L261 S263	R255-Q259 VanDerWaalsContact O-CB 3.32Å; R255-Q259 WeakPolarHBondContact O-CB 3.31Å; R255-Q259 PolarHBondContact O-N 2.94Å; I256-Q259 PolarHBondContact O-N 3.4Å; Q259-L261 VanDerWaalsContact C-N 3.34Å; Q259-S263 PolarHBondContact O-N 3.45Å; Q259-S263 PolarHBondContact O-OG 3.14Å; Q259-S263 VanDerWaalsContact O-OG 3.07Å
260	Y	45.2	Very low	52	Low	155 Å²	155	98 Å²	98	61%	0.608	47%	0.471	S	S	*	.	H	α-helix	trans	-66.5	-32.4	173.8	-116.3	-89.7	0	0	0	113.1	I256 S257 K258	I256-Y260 HydrophobicContact CG2-CD2 4.5Å; I256-Y260 WeakPolarHBondContact O-CB 2.92Å; I256-Y260 PolarHBondContact O-N 3.48Å; S257-Y260 WeakPolarHBondContact O-CB 3.26Å; S257-Y260 PolarHBondContact O-N 3.33Å; K258-Y260 VanDerWaalsContact C-N 3.27Å; K258-Y260 PolarHBondContact O-N 3.49Å
261	L	38.5	Very low	53	Low	83 Å²	83	89.5 Å²	89.5	44%	0.435	43%	0.433	S	S	.	.	H	α-helix	trans	-85.9	-28.2	178	-97.7	115.1	0	0	0	113.9	S257 K258 Q259 T264 I266	S257-L261 VanDerWaalsContact O-CD1 3.24Å; S257-L261 WeakPolarHBondContact O-CD1 3.23Å; S257-L261 PolarHBondContact O-N 3.2Å; K258-L261 CarbonylContact O-C 3.58Å; K258-L261 PolarHBondContact O-N 2.84Å; K258-L261 VanDerWaalsContact O-N 3.13Å; Q259-L261 VanDerWaalsContact C-N 3.34Å; L261-T264 VanDerWaalsContact O-O 3.1Å; L261-I266 HydrophobicContact CD2-CD1 4.05Å; L261-I266 HydrophobicContact CD2-CG1 4.13Å; L261-I266 HydrophobicContact CD2-CG2 4.08Å; L261-I266 WeakPolarHBondContact O-CG1 3.35Å
262	F	37.8	Very low	53.5	Low	125 Å²	125	89.1 Å²	89.1	55%	0.548	43%	0.434	S	S	.	.	H	α-helix	trans	-94.7	-9.3	-172.5	-74.9	-59.5	0	0	0	114.4	K258 T264	K258-F262 HydrophobicContact CB-CD2 3.68Å; K258-F262 HydrophobicContact CB-CE2 3.61Å; K258-F262 HydrophobicContact CD-CE2 3.86Å; K258-F262 HydrophobicContact CG-CD2 4.26Å; K258-F262 HydrophobicContact CG-CE2 3.68Å; K258-F262 VanDerWaalsContact O-CB 3.27Å; K258-F262 WeakPolarHBondContact O-CB 3.38Å; K258-F262 WeakPolarHBondContact O-CD2 3.47Å; K258-F262 WeakPolarHBondContact O-CG 3.44Å; K258-F262 PolarHBondContact O-N 2.98Å; F262-T264 VanDerWaalsContact C-N 3.3Å
263	S	39.8	Very low	54.2	Low	70 Å²	70	84.2 Å²	84.2	49%	0.49	42%	0.418	S	S	.	.	S	Bend	trans	-85.2	-1.3	175.9	50.7	0	0	0	0	114.1	Q259	Q259-S263 PolarHBondContact O-N 3.45Å; Q259-S263 PolarHBondContact O-OG 3.14Å; Q259-S263 VanDerWaalsContact O-OG 3.07Å
264	T	41.4	Very low	55	Low	66 Å²	66	78 Å²	78	41%	0.405	39%	0.391	S	S	.	.	S	Bend	trans	-141.4	137.5	179.6	49	0	0	0	0	107.7	L261 F262 I266	L261-T264 VanDerWaalsContact O-O 3.1Å; F262-T264 VanDerWaalsContact C-N 3.3Å; T264-I266 PolarHBondContact O-N 3.04Å
265	H	47.4	Very low	55.6	Low	85 Å²	85	75.4 Å²	75.4	39%	0.394	38%	0.379	S	S	.	.			trans	-47.9	120.7	166.5	-69.2	-83.1	0	0	0	107.6	D267 E268	H265-D267 PolarHBondContact O-N 3.25Å; H265-E268 HydrophobicContact CB-CB 4.23Å; H265-E268 HydrophobicContact CB-CG 3.75Å; H265-E268 IonicContact CD2-OE1 3.45Å; H265-E268 PolarHBondContact CD2-OE1 3.25Å; H265-E268 IonicContact CG-OE1 2.73Å; H265-E268 PolarHBondContact O-N 3.12Å
266	I	45.1	Very low	56.5	Low	90 Å²	90	72.3 Å²	72.3	46%	0.462	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-14.6	-162.9	-71.5	170.1	0	0	0	113.2	L261 T264	L261-I266 HydrophobicContact CD2-CD1 4.05Å; L261-I266 HydrophobicContact CD2-CG1 4.13Å; L261-I266 HydrophobicContact CD2-CG2 4.08Å; L261-I266 WeakPolarHBondContact O-CG1 3.35Å; T264-I266 PolarHBondContact O-N 3.04Å
267	D	56.6	Low	57.2	Low	139 Å²	139	68.5 Å²	68.5	74%	0.743	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-2.6	-179.5	-61.1	-37.7	0	0	0	114.5	H265 S269	H265-D267 PolarHBondContact O-N 3.25Å; D267-S269 PolarHBondContact O-N 3.34Å
268	E	63.6	Low	58.1	Low	46 Å²	46	66 Å²	66	22%	0.215	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-79.4	124.6	179	-76.9	-177.7	-159.9	0	0	111.2	H265 P335 T338	H265-E268 HydrophobicContact CB-CB 4.23Å; H265-E268 HydrophobicContact CB-CG 3.75Å; H265-E268 IonicContact CD2-OE1 3.45Å; H265-E268 PolarHBondContact CD2-OE1 3.25Å; H265-E268 IonicContact CG-OE1 2.73Å; H265-E268 PolarHBondContact O-N 3.12Å; E268-P335 HydrophobicContact CG-CB 4.21Å; E268-P335 HydrophobicContact CG-CG 4.36Å; E268-P335 WeakPolarHBondContact OE1-CB 3.49Å; E268-P335 WeakPolarHBondContact OE1-CG 3.32Å; E268-T338 PolarHBondContact OE1-OG1 3.24Å; E268-T338 WeakPolarHBondContact OE2-CB 3.5Å; E268-T338 PolarHBondContact OE2-OG1 2.86Å
269	S	66.4	Low	59.3	Low	11 Å²	11	64.5 Å²	64.5	8%	0.077	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-81.7	148.5	177.2	-10.1	0	0	0	0	110.4	D267 W271 E273 F274 K301 L336	D267-S269 PolarHBondContact O-N 3.34Å; S269-W271 PolarHBondContact O-N 3.15Å; S269-E273 WeakPolarHBondContact CB-OE2 3.38Å; S269-F274 WeakPolarHBondContact OG-CE2 3.4Å; S269-K301 WeakPolarHBondContact OG-CE 3.48Å; S269-K301 PolarHBondContact OG-NZ 3.09Å; S269-L336 PolarHBondContact N-O 3.15Å; S269-L336 PolarHBondContact OG-O 3.03Å; S269-L336 VanDerWaalsContact OG-O 3.1Å
270	P	69	Low	60.4	Low	63 Å²	63	64.4 Å²	64.4	41%	0.409	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-61.3	141.5	170.4	28.1	-33.5	0	0	0	109.6	T272 E273	P270-T272 PolarHBondContact O-N 3.17Å; P270-E273 HydrophobicContact CG-CG 4Å; P270-E273 WeakPolarHBondContact O-CB 3.26Å; P270-E273 PolarHBondContact O-N 3.3Å
271	W	72.9	Confident	61.7	Low	18 Å²	18	57.2 Å²	57.2	7%	0.068	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-61.5	-23.4	-174.4	77.5	-83.6	0	0	0	114.1	S269 E273 F274 T275 L278 M337 I339 I351 P368 I370 S421	S269-W271 PolarHBondContact O-N 3.15Å; W271-E273 PolarHBondContact O-N 2.77Å; W271-F274 PolarHBondContact O-N 3.47Å; W271-T275 HydrophobicContact CH2-CG2 4.44Å; W271-T275 HydrophobicContact CZ3-CG2 3.83Å; W271-T275 PolarHBondContact O-N 2.99Å; W271-L278 HydrophobicContact CE3-CD1 4.44Å; W271-M337 WeakPolarHBondContact CA-SD 3.49Å; W271-M337 HydrophobicContact CB-CE 4.39Å; W271-M337 HydrophobicContact CB-CG 3.75Å; W271-M337 HydrophobicContact CB-SD 3.25Å; W271-M337 WeakPolarHBondContact CB-SD 3.46Å; W271-I339 HydrophobicContact CB-CD1 3.64Å; W271-I339 HydrophobicContact CB-CG1 3.69Å; W271-I339 HydrophobicContact CD2-CD1 4.26Å; W271-I339 HydrophobicContact CE3-CD1 4.38Å; W271-I339 HydrophobicContact CG-CD1 3.93Å; W271-I339 HydrophobicContact CG-CG1 4.07Å; W271-I351 HydrophobicContact CZ3-CD1 4.48Å; W271-P368 WeakPolarHBondContact CH2-O 3.45Å; W271-I370 HydrophobicContact CE3-CD1 4.36Å; W271-I370 HydrophobicContact CH2-CG1 4.11Å; W271-I370 HydrophobicContact CZ3-CD1 4.28Å; W271-I370 HydrophobicContact CZ3-CG1 4.07Å; W271-S421 PolarHBondContact NE1-OG 3.01Å
272	T	68.8	Low	63.4	Low	77 Å²	77	54 Å²	54	47%	0.472	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-58.5	-27.2	174.6	52.4	0	0	0	0	112.4	P270 F274 T275	P270-T272 PolarHBondContact O-N 3.17Å; T272-F274 VanDerWaalsContact C-N 3.29Å; T272-F274 PolarHBondContact O-N 3.36Å; T272-T275 VanDerWaalsContact C-OG1 3.22Å; T272-T275 WeakPolarHBondContact CA-OG1 3.21Å; T272-T275 PolarHBondContact O-OG1 3.36Å
273	E	73.1	Confident	65.1	Low	63 Å²	63	50.3 Å²	50.3	29%	0.294	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-70.7	-22.4	174.2	-75.3	-178.3	-166.8	0	0	113.2	S269 P270 W271 K301 H302	S269-E273 WeakPolarHBondContact CB-OE2 3.38Å; P270-E273 HydrophobicContact CG-CG 4Å; P270-E273 WeakPolarHBondContact O-CB 3.26Å; P270-E273 PolarHBondContact O-N 3.3Å; W271-E273 PolarHBondContact O-N 2.77Å; E273-K301 CarbonylContact O-C 3.52Å; E273-K301 WeakPolarHBondContact O-CA 3.39Å; E273-K301 WeakPolarHBondContact OE2-CD 3.49Å; E273-K301 IonicContact OE2-NZ 3.24Å; E273-K301 PolarHBondContact OE2-NZ 3.49Å; E273-H302 WeakPolarHBondContact O-CB 3.39Å; E273-H302 PolarHBondContact O-N 3.42Å
274	F	74.7	Confident	66.8	Low	6 Å²	6	47.1 Å²	47.1	3%	0.026	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-107.8	7.2	-179.3	-66.3	-71.2	0	0	0	113.6	S269 W271 T272 E276 S277 L278 A299 K301 L327 L336 M337	S269-F274 WeakPolarHBondContact OG-CE2 3.4Å; W271-F274 PolarHBondContact O-N 3.47Å; T272-F274 VanDerWaalsContact C-N 3.29Å; T272-F274 PolarHBondContact O-N 3.36Å; F274-E276 VanDerWaalsContact C-N 3.33Å; F274-E276 PolarHBondContact O-N 3.18Å; F274-S277 WeakPolarHBondContact O-CA 3.27Å; F274-S277 WeakPolarHBondContact O-CB 3.38Å; F274-S277 PolarHBondContact O-N 3.14Å; F274-L278 HydrophobicContact CB-CD1 4.09Å; F274-L278 HydrophobicContact CB-CG 4.08Å; F274-L278 WeakPolarHBondContact O-CG 2.97Å; F274-L278 PolarHBondContact O-N 2.67Å; F274-A299 HydrophobicContact CD1-CB 4.02Å; F274-A299 HydrophobicContact CE1-CB 4.11Å; F274-K301 HydrophobicContact CD1-CG 4.5Å; F274-K301 HydrophobicContact CE1-CG 3.69Å; F274-K301 HydrophobicContact CZ-CD 4.5Å; F274-K301 HydrophobicContact CZ-CG 3.73Å; F274-L327 HydrophobicContact CB-CD2 4.36Å; F274-L327 HydrophobicContact CD1-CD2 4.08Å; F274-L327 HydrophobicContact CD2-CD2 3.98Å; F274-L327 HydrophobicContact CE1-CD2 4.32Å; F274-L327 HydrophobicContact CE2-CD2 4.2Å; F274-L327 HydrophobicContact CG-CD2 3.89Å; F274-L327 HydrophobicContact CZ-CD2 4.38Å; F274-L336 HydrophobicContact CE2-CB 4.33Å; F274-L336 HydrophobicContact CZ-CB 4.25Å; F274-M337 HydrophobicContact CB-SD 4.21Å; F274-M337 HydrophobicContact CD2-CB 3.97Å; F274-M337 HydrophobicContact CD2-CG 4.36Å; F274-M337 HydrophobicContact CD2-SD 3.91Å; F274-M337 HydrophobicContact CE2-CB 4.05Å
275	T	69.7	Low	68.4	Low	13 Å²	13	47.1 Å²	47.1	8%	0.08	24%	0.244	C	C	.	.	H	α-helix	trans	-50.7	-47.4	-170.7	-44.9	0	0	0	0	113.9	W271 T272 L278 S279 I351 P368	W271-T275 HydrophobicContact CH2-CG2 4.44Å; W271-T275 HydrophobicContact CZ3-CG2 3.83Å; W271-T275 PolarHBondContact O-N 2.99Å; T272-T275 VanDerWaalsContact C-OG1 3.22Å; T272-T275 WeakPolarHBondContact CA-OG1 3.21Å; T272-T275 PolarHBondContact O-OG1 3.36Å; T275-L278 PolarHBondContact O-N 3.1Å; T275-S279 PolarHBondContact O-N 2.95Å; T275-I351 HydrophobicContact CG2-CD1 4.29Å; T275-I351 HydrophobicContact CG2-CG2 4.32Å; T275-P368 HydrophobicContact CG2-CB 3.49Å; T275-P368 VanDerWaalsContact CG2-CB 3.49Å; T275-P368 HydrophobicContact CG2-CG 3.55Å
276	E	69.2	Low	69.7	Low	77 Å²	77	43.2 Å²	43.2	36%	0.36	23%	0.226	S	C	.	.	H	α-helix	trans	-66.8	-38.1	178.5	-73.9	-174.5	-155	0	0	112.7	F274 S279 H302 Y305	F274-E276 VanDerWaalsContact C-N 3.33Å; F274-E276 PolarHBondContact O-N 3.18Å; E276-S279 WeakPolarHBondContact O-CB 3.29Å; E276-S279 PolarHBondContact O-N 2.78Å; E276-S279 PolarHBondContact O-OG 3.33Å; E276-H302 IonicContact OE1-CE1 3.18Å; E276-H302 PolarHBondContact OE1-CE1 2.96Å; E276-H302 IonicContact OE1-ND1 3.32Å; E276-H302 PolarHBondContact OE1-ND1 2.64Å; E276-Y305 HydrophobicContact CB-CE2 4.41Å; E276-Y305 WeakPolarHBondContact CB-OH 3.39Å; E276-Y305 WeakPolarHBondContact OE2-CE1 3.43Å; E276-Y305 PolarHBondContact OE2-OH 2.78Å
277	S	70.4	Confident	70.7	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.014	22%	0.216	C	C	.	.	H	α-helix	trans	-68.6	-37.9	177.4	-64.4	0	0	0	0	111.6	F274 S279 Y298 K300	F274-S277 WeakPolarHBondContact O-CA 3.27Å; F274-S277 WeakPolarHBondContact O-CB 3.38Å; F274-S277 PolarHBondContact O-N 3.14Å; S277-S279 VanDerWaalsContact C-N 3.33Å; S277-Y298 WeakPolarHBondContact CB-O 2.98Å; S277-Y298 PolarHBondContact OG-O 3.13Å; S277-K300 PolarHBondContact OG-N 3.47Å; S277-K300 PolarHBondContact OG-O 3.16Å
278	L	74.7	Confident	71.1	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-72.9	-24.9	177.3	-64.5	173.6	0	0	0	112.5	W271 F274 T275 H280 I281 F282 L325 L327 M337 I339 I351	W271-L278 HydrophobicContact CE3-CD1 4.44Å; F274-L278 HydrophobicContact CB-CD1 4.09Å; F274-L278 HydrophobicContact CB-CG 4.08Å; F274-L278 WeakPolarHBondContact O-CG 2.97Å; F274-L278 PolarHBondContact O-N 2.67Å; T275-L278 PolarHBondContact O-N 3.1Å; L278-H280 PolarHBondContact O-N 2.75Å; L278-I281 HydrophobicContact CB-CD1 4.47Å; L278-I281 HydrophobicContact CD2-CD1 3.45Å; L278-I281 VanDerWaalsContact CD2-CD1 3.45Å; L278-I281 WeakPolarHBondContact O-CB 3.13Å; L278-I281 PolarHBondContact O-N 2.76Å; L278-F282 HydrophobicContact CB-CD2 4.47Å; L278-F282 HydrophobicContact CB-CE2 4.33Å; L278-F282 VanDerWaalsContact O-CD2 3.31Å; L278-F282 WeakPolarHBondContact O-CD2 3.49Å; L278-F282 PolarHBondContact O-N 2.86Å; L278-L325 HydrophobicContact CD2-CD2 4.16Å; L278-L327 HydrophobicContact CD2-CD1 4.39Å; L278-M337 HydrophobicContact CD1-CE 3.72Å; L278-M337 HydrophobicContact CD1-SD 3.73Å; L278-M337 HydrophobicContact CD2-CE 4.13Å; L278-I339 HydrophobicContact CD1-CD1 4.36Å; L278-I351 HydrophobicContact CB-CD1 4.16Å
279	S	72.9	Confident	70.9	Confident	43 Å²	43	36.3 Å²	36.3	30%	0.301	19%	0.192	S	C	.	.	H	α-helix	trans	-53.2	-30.2	177.5	76.3	0	0	0	0	112.8	T275 E276 S277 I281 F282	T275-S279 PolarHBondContact O-N 2.95Å; E276-S279 WeakPolarHBondContact O-CB 3.29Å; E276-S279 PolarHBondContact O-N 2.78Å; E276-S279 PolarHBondContact O-OG 3.33Å; S277-S279 VanDerWaalsContact C-N 3.33Å; S279-I281 VanDerWaalsContact C-N 3.33Å; S279-I281 PolarHBondContact O-N 2.74Å; S279-F282 VanDerWaalsContact O-O 3.08Å
280	H	70.2	Confident	70.6	Confident	120 Å²	120	36.6 Å²	36.6	56%	0.556	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-22	176.5	-64.7	-54.3	0	0	0	114.5	L278 R312	L278-H280 PolarHBondContact O-N 2.75Å; H280-R312 PolarHBondContact NE2-NH1 2.89Å
281	I	73.2	Confident	70.5	Confident	3 Å²	3	35.1 Å²	35.1	2%	0.015	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-38.6	177.9	-56.9	166.4	0	0	0	109.5	L278 S279 V284 R295 V297 A318 I320	L278-I281 HydrophobicContact CB-CD1 4.47Å; L278-I281 HydrophobicContact CD2-CD1 3.45Å; L278-I281 VanDerWaalsContact CD2-CD1 3.45Å; L278-I281 WeakPolarHBondContact O-CB 3.13Å; L278-I281 PolarHBondContact O-N 2.76Å; S279-I281 VanDerWaalsContact C-N 3.33Å; S279-I281 PolarHBondContact O-N 2.74Å; I281-V284 HydrophobicContact CG2-CG2 4.15Å; I281-R295 PolarHBondContact O-NH1 2.96Å; I281-V297 HydrophobicContact CD1-CG1 4.22Å; I281-V297 HydrophobicContact CD1-CG2 3.77Å; I281-V297 HydrophobicContact CG1-CG1 4.21Å; I281-V297 HydrophobicContact CG1-CG2 3.73Å; I281-A318 HydrophobicContact CD1-CB 3.4Å; I281-A318 VanDerWaalsContact CD1-CB 3.4Å; I281-A318 HydrophobicContact CG1-CB 4.36Å; I281-I320 HydrophobicContact CG2-CD1 3.76Å
282	F	74.2	Confident	70.6	Confident	17 Å²	17	34.9 Å²	34.9	8%	0.075	19%	0.189	C	C	.	.			trans	-73.9	149.8	176.5	-70.6	-76.9	0	0	0	111.2	L278 S279 V284 L325 W343 Y349 I351 I370	L278-F282 HydrophobicContact CB-CD2 4.47Å; L278-F282 HydrophobicContact CB-CE2 4.33Å; L278-F282 VanDerWaalsContact O-CD2 3.31Å; L278-F282 WeakPolarHBondContact O-CD2 3.49Å; L278-F282 PolarHBondContact O-N 2.86Å; S279-F282 VanDerWaalsContact O-O 3.08Å; F282-V284 HydrophobicContact CD1-CB 4.28Å; F282-V284 HydrophobicContact CD1-CG2 3.76Å; F282-V284 HydrophobicContact CE1-CB 4.4Å; F282-V284 HydrophobicContact CE1-CG2 3.94Å; F282-V284 HydrophobicContact CG-CG2 4.44Å; F282-L325 HydrophobicContact CZ-CD1 4.4Å; F282-W343 HydrophobicContact CE1-CH2 4.05Å; F282-Y349 VanDerWaalsContact CD1-O 3.31Å; F282-Y349 WeakPolarHBondContact CD1-O 2.84Å; F282-I351 HydrophobicContact CD2-CD1 3.37Å; F282-I351 HydrophobicContact CD2-CG1 3.54Å; F282-I351 HydrophobicContact CE2-CD1 3.62Å; F282-I351 HydrophobicContact CE2-CG1 3.85Å; F282-I351 HydrophobicContact CG-CD1 4.27Å; F282-I351 HydrophobicContact CG-CG1 4Å; F282-I370 HydrophobicContact CZ-CD1 4.36Å; F282-I370 HydrophobicContact CZ-CG1 4.48Å
283	P	74	Confident	71	Confident	46 Å²	46	35 Å²	35	30%	0.299	18%	0.184	S	C	.	.			cis	-78.1	146.1	0.7	32.5	-36.6	0	0	0	113.4	T348 Y349 V477	P283-T348 HydrophobicContact CB-CG2 4.03Å; P283-Y349 WeakPolarHBondContact CA-O 3.25Å; P283-V477 HydrophobicContact CB-CB 4.01Å; P283-V477 HydrophobicContact CB-CG2 4.46Å; P283-V477 HydrophobicContact CG-CB 4.07Å; P283-V477 WeakPolarHBondContact CG-O 3.34Å
284	V	75.5	Confident	71.5	Confident	3 Å²	3	32.6 Å²	32.6	2%	0.018	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.4	176	178.8	0	0	0	0	108.2	I281 F282 I320 W343 Y349	I281-V284 HydrophobicContact CG2-CG2 4.15Å; F282-V284 HydrophobicContact CD1-CB 4.28Å; F282-V284 HydrophobicContact CD1-CG2 3.76Å; F282-V284 HydrophobicContact CE1-CB 4.4Å; F282-V284 HydrophobicContact CE1-CG2 3.94Å; F282-V284 HydrophobicContact CG-CG2 4.44Å; V284-I320 HydrophobicContact CB-CD1 4.45Å; V284-I320 HydrophobicContact CG1-CD1 3.92Å; V284-I320 HydrophobicContact CG1-CG2 3.83Å; V284-I320 HydrophobicContact CG2-CD1 3.61Å; V284-W343 HydrophobicContact CB-CH2 3.66Å; V284-W343 HydrophobicContact CB-CZ3 3.65Å; V284-W343 HydrophobicContact CG1-CE3 4.35Å; V284-W343 HydrophobicContact CG1-CH2 3.62Å; V284-W343 HydrophobicContact CG1-CZ3 3.4Å; V284-W343 HydrophobicContact CG2-CH2 4.18Å; V284-Y349 PolarHBondContact N-O 3.49Å; V284-Y349 PolarHBondContact O-N 2.99Å
285	R	75.4	Confident	71.7	Confident	66 Å²	66	36.3 Å²	36.3	25%	0.249	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	118.7	179.8	-73.4	178.7	-79.1	166.1	-2.5	109.6	Y287 T348 P474 L585	R285-Y287 HydrophobicContact CB-CD2 4.43Å; R285-Y287 HydrophobicContact CB-CE2 3.85Å; R285-T348 HydrophobicContact CG-CG2 4.14Å; R285-P474 HydrophobicContact CB-CB 4.41Å; R285-P474 HydrophobicContact CB-CG 4.32Å; R285-P474 HydrophobicContact CG-CB 4.49Å; R285-L585 PolarHBondContact NH1-O 3.46Å; R285-L585 VanDerWaalsContact NH1-O 3.08Å
286	W	74.5	Confident	72.2	Confident	3 Å²	3	38 Å²	38	1%	0.011	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	102.9	-175.3	-161.8	-102.7	0	0	0	111.6	G288 S291 I320 H321 P322 W343 G346 S347	W286-G288 WeakPolarHBondContact CZ2-O 3.28Å; W286-S291 VanDerWaalsContact CH2-O 3.23Å; W286-S291 WeakPolarHBondContact CH2-O 3.18Å; W286-S291 WeakPolarHBondContact CZ3-O 3.33Å; W286-I320 HydrophobicContact CE3-CG2 4.35Å; W286-I320 HydrophobicContact CZ3-CG2 3.85Å; W286-H321 VanDerWaalsContact CH2-C 3.4Å; W286-P322 HydrophobicContact CH2-CB 4.44Å; W286-P322 HydrophobicContact CH2-CG 4.11Å; W286-P322 HydrophobicContact CZ2-CB 3.8Å; W286-P322 HydrophobicContact CZ2-CG 3.71Å; W286-W343 HydrophobicContact CB-CE3 3.92Å; W286-W343 HydrophobicContact CD2-CB 3.8Å; W286-W343 HydrophobicContact CD2-CD2 4.36Å; W286-W343 HydrophobicContact CD2-CE3 4.11Å; W286-W343 HydrophobicContact CD2-CG 4.24Å; W286-W343 HydrophobicContact CE3-CB 4.45Å; W286-W343 HydrophobicContact CE3-CD2 4.23Å; W286-W343 AromaticContact CE3-CE3 3.96Å; W286-W343 HydrophobicContact CE3-CE3 3.96Å; W286-W343 HydrophobicContact CE3-CG 4.42Å; W286-W343 HydrophobicContact CG-CB 3.83Å; W286-W343 HydrophobicContact CG-CE3 4.11Å; W286-G346 WeakPolarHBondContact O-CA 3.45Å; W286-G346 PolarHBondContact O-N 2.93Å; W286-S347 WeakPolarHBondContact CB-O 3.4Å; W286-S347 PolarHBondContact N-O 2.7Å
287	Y	65.2	Low	72.7	Confident	62 Å²	62	35 Å²	35	24%	0.243	18%	0.182	C	C	.	.			trans	-90.6	-13.2	-178.7	-66.9	-87.4	0	0	0	113.9	R285 I345 P474 Q648	R285-Y287 HydrophobicContact CB-CD2 4.43Å; R285-Y287 HydrophobicContact CB-CE2 3.85Å; Y287-I345 WeakPolarHBondContact O-CG2 3.27Å; Y287-P474 HydrophobicContact CD1-CG 3.65Å; Y287-P474 HydrophobicContact CD2-CG 4.47Å; Y287-P474 VanDerWaalsContact CE1-CD 3.47Å; Y287-P474 HydrophobicContact CE1-CG 3.25Å; Y287-P474 HydrophobicContact CE2-CG 4.16Å; Y287-P474 HydrophobicContact CG-CG 4.26Å; Y287-Q648 PolarHBondContact OH-OE1 3.34Å
288	G	65.8	Low	73.2	Confident	10 Å²	10	38.5 Å²	38.5	10%	0.103	20%	0.195	C	C	.	.	S	Bend	trans	155.4	176.9	-177.2	0	0	0	0	0	114.2	W286 G290 S291	W286-G288 WeakPolarHBondContact CZ2-O 3.28Å; G288-G290 PolarHBondContact O-N 3.33Å; G288-G290 VanDerWaalsContact O-N 3.07Å; G288-S291 PolarHBondContact N-OG 3.04Å; G288-S291 VanDerWaalsContact O-CB 3.26Å; G288-S291 WeakPolarHBondContact O-CB 3.31Å; G288-S291 PolarHBondContact O-N 3Å; G288-S291 PolarHBondContact O-OG 2.73Å
289	V	58.3	Low	73.3	Confident	59 Å²	59	38.8 Å²	38.8	36%	0.358	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.7	-174.5	-167.3	0	0	0	0	113.2	P181 S291 P322 I345	P181-V289 WeakPolarHBondContact CB-O 3.4Å; V289-S291 VanDerWaalsContact C-N 3.33Å; V289-S291 PolarHBondContact O-N 3.47Å; V289-P322 HydrophobicContact CG1-CG 4.09Å; V289-I345 HydrophobicContact CG2-CD1 4.23Å
290	G	60.8	Low	73.5	Confident	16 Å²	16	38.4 Å²	38.4	17%	0.165	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-3.1	176.9	0	0	0	0	0	115.7	R118 G288 C292	R118-G290 PolarHBondContact NH2-O 2.7Å; G288-G290 PolarHBondContact O-N 3.33Å; G288-G290 VanDerWaalsContact O-N 3.07Å; G290-C292 VanDerWaalsContact C-N 3.27Å; G290-C292 PolarHBondContact O-N 3.09Å
291	S	67.5	Low	73.5	Confident	33 Å²	33	35.7 Å²	35.7	23%	0.231	18%	0.177	C	C	.	.			trans	-87.1	52.6	-171.1	-46.7	0	0	0	0	112.4	W286 G288 V289	W286-S291 VanDerWaalsContact CH2-O 3.23Å; W286-S291 WeakPolarHBondContact CH2-O 3.18Å; W286-S291 WeakPolarHBondContact CZ3-O 3.33Å; G288-S291 PolarHBondContact N-OG 3.04Å; G288-S291 VanDerWaalsContact O-CB 3.26Å; G288-S291 WeakPolarHBondContact O-CB 3.31Å; G288-S291 PolarHBondContact O-N 3Å; G288-S291 PolarHBondContact O-OG 2.73Å; V289-S291 VanDerWaalsContact C-N 3.33Å; V289-S291 PolarHBondContact O-N 3.47Å
292	C	75.3	Confident	73.2	Confident	13 Å²	13	40.9 Å²	40.9	9%	0.088	20%	0.201	C	C	.	.			trans	-83.1	140	174.3	-69.9	0	0	0	0	111.9	P181 S183 Y215 G290 I320	P181-C292 HydrophobicContact CB-CB 4.39Å; P181-C292 WeakPolarHBondContact CB-SG 3.33Å; S183-C292 WeakPolarHBondContact CB-O 3.38Å; Y215-C292 VanDerWaalsContact OH-CB 3.22Å; Y215-C292 WeakPolarHBondContact OH-CB 3.32Å; Y215-C292 PolarHBondContact OH-SG 2.86Å; G290-C292 VanDerWaalsContact C-N 3.27Å; G290-C292 PolarHBondContact O-N 3.09Å; C292-I320 VanDerWaalsContact CA-O 3.31Å; C292-I320 WeakPolarHBondContact CA-O 3.39Å; C292-I320 WeakPolarHBondContact CB-O 3.12Å
293	E	77.4	Confident	72.6	Confident	78 Å²	78	44.9 Å²	44.9	36%	0.364	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	143.7	176.7	-67.3	-170.2	178.3	0	0	110.6	R295 I320	E293-R295 IonicContact OE2-CZ 3.82Å; E293-R295 VanDerWaalsContact OE2-CZ 3.27Å; E293-R295 IonicContact OE2-NE 2.73Å; E293-R295 PolarHBondContact OE2-NE 2.84Å; E293-R295 IonicContact OE2-NH2 2.86Å; E293-R295 PolarHBondContact OE2-NH2 2.8Å; E293-I320 HydrophobicContact CB-CB 4.41Å; E293-I320 HydrophobicContact CB-CD1 4.28Å; E293-I320 PolarHBondContact N-O 2.99Å; E293-I320 VanDerWaalsContact N-O 3.15Å; E293-I320 PolarHBondContact O-N 2.86Å
294	I	82.2	Confident	72.1	Confident	13 Å²	13	48 Å²	48	7%	0.067	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.2	168.2	-69.1	167.8	0	0	0	106.7	S183 S185 F202 I317 A318 V319	S183-I294 WeakPolarHBondContact OG-CD1 3.03Å; S183-I294 VanDerWaalsContact OG-CG1 3.28Å; S183-I294 WeakPolarHBondContact OG-CG1 3.21Å; S185-I294 WeakPolarHBondContact CB-O 3.35Å; S185-I294 PolarHBondContact OG-O 2.81Å; F202-I294 HydrophobicContact CB-CD1 4.39Å; F202-I294 HydrophobicContact CB-CG2 4.09Å; I294-I317 HydrophobicContact CG2-CG2 3.49Å; I294-I317 VanDerWaalsContact CG2-CG2 3.49Å; I294-A318 WeakPolarHBondContact CA-O 3.35Å; I294-V319 HydrophobicContact CG1-CB 4.4Å; I294-V319 HydrophobicContact CG1-CG1 3.96Å; I294-V319 HydrophobicContact CG1-CG2 3.96Å; I294-V319 HydrophobicContact CG2-CG2 4.47Å
295	R	80.3	Confident	71.2	Confident	84 Å²	84	50.8 Å²	50.8	32%	0.317	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.3	177.9	-60.6	-165.4	-173.5	174.8	6.1	110.3	I281 E293 V297 I317 A318	I281-R295 PolarHBondContact O-NH1 2.96Å; E293-R295 IonicContact OE2-CZ 3.82Å; E293-R295 VanDerWaalsContact OE2-CZ 3.27Å; E293-R295 IonicContact OE2-NE 2.73Å; E293-R295 PolarHBondContact OE2-NE 2.84Å; E293-R295 IonicContact OE2-NH2 2.86Å; E293-R295 PolarHBondContact OE2-NH2 2.8Å; R295-V297 HydrophobicContact CB-CG2 4.16Å; R295-I317 WeakPolarHBondContact O-CA 3.25Å; R295-A318 PolarHBondContact N-O 2.89Å; R295-A318 PolarHBondContact O-N 2.92Å
296	L	80.2	Confident	69.8	Low	50 Å²	50	55.4 Å²	55.4	26%	0.262	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	128.9	168.7	-70.3	159.4	0	0	0	107.9	F186 D187 F202 P314 I317 L330	F186-L296 WeakPolarHBondContact O-CD1 3.15Å; D187-L296 HydrophobicContact CB-CD1 3.78Å; F202-L296 HydrophobicContact CD2-CD2 4.43Å; F202-L296 HydrophobicContact CE2-CD1 4.47Å; F202-L296 HydrophobicContact CE2-CD2 3.78Å; F202-L296 HydrophobicContact CE2-CG 4.48Å; F202-L296 HydrophobicContact CZ-CD2 4.25Å; L296-P314 HydrophobicContact CB-CB 4.13Å; L296-I317 HydrophobicContact CD2-CG1 4.02Å; L296-L330 HydrophobicContact CD2-CD1 3.52Å
297	V	79.3	Confident	68.6	Low	12 Å²	12	60.2 Å²	60.2	7%	0.073	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.9	-171.5	-169.2	0	0	0	0	109.4	I281 R295 N315 A316 A318	I281-V297 HydrophobicContact CD1-CG1 4.22Å; I281-V297 HydrophobicContact CD1-CG2 3.77Å; I281-V297 HydrophobicContact CG1-CG1 4.21Å; I281-V297 HydrophobicContact CG1-CG2 3.73Å; R295-V297 HydrophobicContact CB-CG2 4.16Å; V297-N315 PolarHBondContact O-N 3.45Å; V297-N315 VanDerWaalsContact O-N 3.15Å; V297-N315 PolarHBondContact O-OD1 2.92Å; V297-A316 PolarHBondContact N-O 3.1Å; V297-A316 PolarHBondContact O-N 3.31Å; V297-A318 HydrophobicContact CG2-CB 3.79Å
298	Y	80.4	Confident	67.5	Low	76 Å²	76	65 Å²	65	30%	0.298	34%	0.335	S	S	.	.			trans	-89.3	104.5	162.9	-179.3	-109.7	0	0	0	108.4	S277 K300 R312 T313 N315	S277-Y298 WeakPolarHBondContact CB-O 2.98Å; S277-Y298 PolarHBondContact OG-O 3.13Å; Y298-K300 HydrophobicContact CE1-CB 4.02Å; Y298-K300 HydrophobicContact CE1-CD 4.29Å; Y298-R312 HydrophobicContact CD1-CB 4.32Å; Y298-R312 HydrophobicContact CD1-CG 4.11Å; Y298-R312 HydrophobicContact CE1-CG 4.34Å; Y298-R312 HydrophobicContact CG-CB 4.22Å; Y298-T313 WeakPolarHBondContact CD2-O 3.15Å; Y298-N315 VanDerWaalsContact CA-OD1 3.27Å; Y298-N315 WeakPolarHBondContact CA-OD1 3.21Å
299	A	76.7	Confident	66.3	Low	7 Å²	7	72.3 Å²	72.3	6%	0.058	37%	0.372	C	S	.	.			trans	-99.6	121.1	176	0	0	0	0	0	110.3	F274 N315 A316 L327	F274-A299 HydrophobicContact CD1-CB 4.02Å; F274-A299 HydrophobicContact CE1-CB 4.11Å; A299-N315 PolarHBondContact N-OD1 2.81Å; A299-N315 PolarHBondContact O-ND2 3.35Å; A299-N315 PolarHBondContact O-OD1 2.8Å; A299-A316 HydrophobicContact CB-CB 3.56Å; A299-L327 HydrophobicContact CB-CD1 4.33Å; A299-L327 HydrophobicContact CB-CD2 3.87Å
300	K	76.5	Confident	65.7	Low	36 Å²	36	73.1 Å²	73.1	16%	0.157	38%	0.38	C	S	.	.			trans	-127.9	135.7	172.8	-165.4	175	-171.5	-174.1	0	108.8	S277 Y298 E304 Y305 L306	S277-K300 PolarHBondContact OG-N 3.47Å; S277-K300 PolarHBondContact OG-O 3.16Å; Y298-K300 HydrophobicContact CE1-CB 4.02Å; Y298-K300 HydrophobicContact CE1-CD 4.29Å; K300-E304 HydrophobicContact CD-CB 4.28Å; K300-E304 VanDerWaalsContact CE-C 3.44Å; K300-E304 VanDerWaalsContact CE-CB 3.4Å; K300-E304 WeakPolarHBondContact CE-O 3.27Å; K300-E304 HydrophobicContact CG-CB 3.96Å; K300-E304 PolarHBondContact NZ-O 3.23Å; K300-Y305 HydrophobicContact CB-CE2 4.21Å; K300-L306 PolarHBondContact NZ-O 3Å
301	K	71.2	Confident	65.3	Low	63 Å²	63	80.3 Å²	80.3	27%	0.274	41%	0.414	S	S	.	.			trans	-65.4	141	174.3	-69	-172	173.7	-148.3	0	109.4	S269 E273 F274 S303 E304	S269-K301 WeakPolarHBondContact OG-CE 3.48Å; S269-K301 PolarHBondContact OG-NZ 3.09Å; E273-K301 CarbonylContact O-C 3.52Å; E273-K301 WeakPolarHBondContact O-CA 3.39Å; E273-K301 WeakPolarHBondContact OE2-CD 3.49Å; E273-K301 IonicContact OE2-NZ 3.24Å; E273-K301 PolarHBondContact OE2-NZ 3.49Å; F274-K301 HydrophobicContact CD1-CG 4.5Å; F274-K301 HydrophobicContact CE1-CG 3.69Å; F274-K301 HydrophobicContact CZ-CD 4.5Å; F274-K301 HydrophobicContact CZ-CG 3.73Å; K301-S303 PolarHBondContact O-N 2.5Å; K301-S303 VanDerWaalsContact O-N 3.1Å; K301-E304 HydrophobicContact CB-CG 4.37Å; K301-E304 PolarHBondContact O-N 2.83Å
302	H	65.8	Low	65.1	Low	111 Å²	111	86.4 Å²	86.4	51%	0.514	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-54.6	-32.5	-179.8	-166.4	64.4	0	0	0	112.1	E273 E276 E304 Y305	E273-H302 WeakPolarHBondContact O-CB 3.39Å; E273-H302 PolarHBondContact O-N 3.42Å; E276-H302 IonicContact OE1-CE1 3.18Å; E276-H302 PolarHBondContact OE1-CE1 2.96Å; E276-H302 IonicContact OE1-ND1 3.32Å; E276-H302 PolarHBondContact OE1-ND1 2.64Å; H302-E304 PolarHBondContact O-N 3Å; H302-Y305 PolarHBondContact O-N 2.89Å
303	S	61.8	Low	64.8	Low	102 Å²	102	89.9 Å²	89.9	71%	0.713	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-65.3	-19.2	176	54.8	0	0	0	0	115	K301	K301-S303 PolarHBondContact O-N 2.5Å; K301-S303 VanDerWaalsContact O-N 3.1Å
304	E	63.4	Low	64.7	Low	111 Å²	111	88 Å²	88	52%	0.519	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-98.9	1.9	-174.5	-63.2	179.4	171.5	0	0	113.1	K300 K301 H302 L306	K300-E304 HydrophobicContact CD-CB 4.28Å; K300-E304 VanDerWaalsContact CE-C 3.44Å; K300-E304 VanDerWaalsContact CE-CB 3.4Å; K300-E304 WeakPolarHBondContact CE-O 3.27Å; K300-E304 HydrophobicContact CG-CB 3.96Å; K300-E304 PolarHBondContact NZ-O 3.23Å; K301-E304 HydrophobicContact CB-CG 4.37Å; K301-E304 PolarHBondContact O-N 2.83Å; H302-E304 PolarHBondContact O-N 3Å; E304-L306 PolarHBondContact O-N 3.48Å
305	Y	57.7	Low	64.6	Low	62 Å²	62	90.2 Å²	90.2	24%	0.243	46%	0.46	C	S	.	.			trans	-66.6	31.9	-172.1	-98.5	-96.7	0	0	0	116.9	E276 K300 H302 V307	E276-Y305 HydrophobicContact CB-CE2 4.41Å; E276-Y305 WeakPolarHBondContact CB-OH 3.39Å; E276-Y305 WeakPolarHBondContact OE2-CE1 3.43Å; E276-Y305 PolarHBondContact OE2-OH 2.78Å; K300-Y305 HydrophobicContact CB-CE2 4.21Å; H302-Y305 PolarHBondContact O-N 2.89Å; Y305-V307 HydrophobicContact CD1-CG2 4.43Å; Y305-V307 WeakPolarHBondContact O-CG2 3.27Å; Y305-V307 PolarHBondContact O-N 2.81Å
306	L	44.6	Very low	64.8	Low	163 Å²	163	86.2 Å²	86.2	85%	0.853	45%	0.445	S	S	*	.			trans	-76.2	110	159.8	-74.1	162	0	0	0	108.2	K300 E304 E308	K300-L306 PolarHBondContact NZ-O 3Å; E304-L306 PolarHBondContact O-N 3.48Å; L306-E308 PolarHBondContact O-N 2.93Å
307	V	50.9	Low	65.1	Low	103 Å²	103	84 Å²	84	62%	0.624	43%	0.433	S	S	*	.			trans	-88.2	103.3	-165.2	177.7	0	0	0	0	111.6	Y305	Y305-V307 HydrophobicContact CD1-CG2 4.43Å; Y305-V307 WeakPolarHBondContact O-CG2 3.27Å; Y305-V307 PolarHBondContact O-N 2.81Å
308	E	40.7	Very low	65.4	Low	163 Å²	163	83.4 Å²	83.4	76%	0.762	43%	0.429	S	S	*	.			trans	-76.2	133.3	144.6	-82.9	-176.7	155.9	0	0	109.1	L306 S310	L306-E308 PolarHBondContact O-N 2.93Å; E308-S310 PolarHBondContact O-N 3.05Å
309	N	42.2	Very low	65.6	Low	164 Å²	164	79.8 Å²	79.8	88%	0.877	42%	0.415	S	S	*	.			trans	-76.2	36.7	170.8	-84.9	-19.8	0	0	0	112.4
310	S	45.1	Very low	66	Low	76 Å²	76	79.5 Å²	79.5	53%	0.531	41%	0.413	S	S	.	.			trans	-77.5	146.2	173.6	56.2	0	0	0	0	110	E308 R312	E308-S310 PolarHBondContact O-N 3.05Å; S310-R312 PolarHBondContact O-N 2.87Å; S310-R312 VanDerWaalsContact O-N 3.08Å
311	L	51.3	Low	66.2	Low	167 Å²	167	78.1 Å²	78.1	87%	0.874	41%	0.407	S	S	*	.			trans	-51.1	118.2	-178.8	-80.9	117.4	0	0	0	110.3	T313	L311-T313 PolarHBondContact O-N 3.07Å
312	R	63.6	Low	66.4	Low	161 Å²	161	76 Å²	76	61%	0.608	40%	0.399	S	S	*	.			trans	-62	96.1	177.9	-66.5	-177.8	-177	-172.7	-1.3	109.4	H280 Y298 S310	H280-R312 PolarHBondContact NE2-NH1 2.89Å; Y298-R312 HydrophobicContact CD1-CB 4.32Å; Y298-R312 HydrophobicContact CD1-CG 4.11Å; Y298-R312 HydrophobicContact CE1-CG 4.34Å; Y298-R312 HydrophobicContact CG-CB 4.22Å; S310-R312 PolarHBondContact O-N 2.87Å; S310-R312 VanDerWaalsContact O-N 3.08Å
313	T	70	Confident	66.9	Low	86 Å²	86	71.8 Å²	71.8	53%	0.528	38%	0.382	S	S	.	.			trans	-84	135.4	171.8	47.5	0	0	0	0	108.7	Y298 L311 N315	Y298-T313 WeakPolarHBondContact CD2-O 3.15Å; L311-T313 PolarHBondContact O-N 3.07Å; T313-N315 PolarHBondContact O-N 3.31Å
314	P	74.3	Confident	67.6	Low	39 Å²	39	67 Å²	67	25%	0.253	35%	0.349	S	S	.	.			trans	-63.7	135	-179.7	19.3	-23.1	0	0	0	110.4	L192 L296 L330	L192-P314 HydrophobicContact CD2-CG 3.83Å; L296-P314 HydrophobicContact CB-CB 4.13Å; P314-L330 VanDerWaalsContact O-CD2 3.27Å; P314-L330 WeakPolarHBondContact O-CD2 3.4Å
315	N	81.6	Confident	68.6	Low	59 Å²	59	61.8 Å²	61.8	32%	0.316	32%	0.324	S	S	.	.			trans	-126.3	-6.8	-178.5	65.8	-19.7	0	0	0	112.7	V297 Y298 A299 T313 L330	V297-N315 PolarHBondContact O-N 3.45Å; V297-N315 VanDerWaalsContact O-N 3.15Å; V297-N315 PolarHBondContact O-OD1 2.92Å; Y298-N315 VanDerWaalsContact CA-OD1 3.27Å; Y298-N315 WeakPolarHBondContact CA-OD1 3.21Å; A299-N315 PolarHBondContact N-OD1 2.81Å; A299-N315 PolarHBondContact O-ND2 3.35Å; A299-N315 PolarHBondContact O-OD1 2.8Å; T313-N315 PolarHBondContact O-N 3.31Å; N315-L330 VanDerWaalsContact C-CB 3.44Å; N315-L330 WeakPolarHBondContact O-CB 3.5Å; N315-L330 PolarHBondContact O-N 3.24Å; N315-L330 VanDerWaalsContact O-N 3.13Å
316	A	84.1	Confident	69.9	Low	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	164.3	178.5	0	0	0	0	0	111.7	V297 A299 L327 L328 L336	V297-A316 PolarHBondContact N-O 3.1Å; V297-A316 PolarHBondContact O-N 3.31Å; A299-A316 HydrophobicContact CB-CB 3.56Å; A316-L327 HydrophobicContact CB-CD1 3.9Å; A316-L327 HydrophobicContact CB-CG 4.29Å; A316-L328 CarbonylContact C-O 3.57Å; A316-L328 VanDerWaalsContact CA-O 3.27Å; A316-L328 WeakPolarHBondContact CA-O 3.29Å; A316-L328 WeakPolarHBondContact CB-O 3.44Å; A316-L336 HydrophobicContact CB-CD1 4.08Å
317	I	85.9	Confident	71.8	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.015	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	124.3	174.6	-59.3	174.3	0	0	0	108	F202 W229 I294 R295 L296 V319 L327 L328 L330	F202-I317 HydrophobicContact CD1-CD1 3.37Å; F202-I317 HydrophobicContact CD2-CD1 4.42Å; F202-I317 HydrophobicContact CE1-CD1 3.26Å; F202-I317 HydrophobicContact CE1-CG1 4.46Å; F202-I317 HydrophobicContact CE2-CD1 4.33Å; F202-I317 HydrophobicContact CG-CD1 3.97Å; F202-I317 HydrophobicContact CZ-CD1 3.76Å; W229-I317 HydrophobicContact CH2-CD1 3.72Å; W229-I317 HydrophobicContact CZ2-CD1 3.46Å; W229-I317 VanDerWaalsContact CZ2-CD1 3.46Å; I294-I317 HydrophobicContact CG2-CG2 3.49Å; I294-I317 VanDerWaalsContact CG2-CG2 3.49Å; R295-I317 WeakPolarHBondContact O-CA 3.25Å; L296-I317 HydrophobicContact CD2-CG1 4.02Å; I317-V319 HydrophobicContact CG2-CG2 3.77Å; I317-L327 CarbonylContact O-C 3.45Å; I317-L327 WeakPolarHBondContact O-CA 3.44Å; I317-L328 PolarHBondContact N-O 2.86Å; I317-L328 PolarHBondContact O-N 2.76Å; I317-L330 HydrophobicContact CD1-CD1 3.8Å; I317-L330 HydrophobicContact CG1-CB 4.48Å; I317-L330 HydrophobicContact CG1-CD1 3.61Å
318	A	85.2	Confident	73.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.5	169.3	0	0	0	0	0	110	I281 I294 R295 V297 D326 L327	I281-A318 HydrophobicContact CD1-CB 3.4Å; I281-A318 VanDerWaalsContact CD1-CB 3.4Å; I281-A318 HydrophobicContact CG1-CB 4.36Å; I294-A318 WeakPolarHBondContact CA-O 3.35Å; R295-A318 PolarHBondContact N-O 2.89Å; R295-A318 PolarHBondContact O-N 2.92Å; V297-A318 HydrophobicContact CG2-CB 3.79Å; A318-D326 CarbonylContact C-O 3.56Å; A318-D326 WeakPolarHBondContact CA-O 3.43Å; A318-L327 HydrophobicContact CB-CD1 4.12Å
319	V	85.3	Confident	75.6	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	116.6	179.4	-174	0	0	0	0	108.7	Y215 T217 I294 I317 H321 L325 D326 L328	Y215-V319 HydrophobicContact CD1-CG1 3.43Å; Y215-V319 VanDerWaalsContact CD1-CG1 3.43Å; Y215-V319 HydrophobicContact CE1-CG1 3.47Å; Y215-V319 VanDerWaalsContact CE1-CG1 3.47Å; T217-V319 HydrophobicContact CG2-CB 4.29Å; T217-V319 HydrophobicContact CG2-CG1 3.97Å; T217-V319 HydrophobicContact CG2-CG2 3.79Å; I294-V319 HydrophobicContact CG1-CB 4.4Å; I294-V319 HydrophobicContact CG1-CG1 3.96Å; I294-V319 HydrophobicContact CG1-CG2 3.96Å; I294-V319 HydrophobicContact CG2-CG2 4.47Å; I317-V319 HydrophobicContact CG2-CG2 3.77Å; V319-H321 PolarHBondContact O-CD2 3.48Å; V319-L325 WeakPolarHBondContact O-CA 3.49Å; V319-D326 HydrophobicContact CB-CB 4.47Å; V319-D326 PolarHBondContact N-O 3.4Å; V319-D326 PolarHBondContact O-N 3.36Å; V319-L328 HydrophobicContact CG2-CD1 4.34Å
320	I	84	Confident	77.6	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.6	-177.9	-47.9	179.1	0	0	0	107.8	I281 V284 W286 C292 E293 L325 W343	I281-I320 HydrophobicContact CG2-CD1 3.76Å; V284-I320 HydrophobicContact CB-CD1 4.45Å; V284-I320 HydrophobicContact CG1-CD1 3.92Å; V284-I320 HydrophobicContact CG1-CG2 3.83Å; V284-I320 HydrophobicContact CG2-CD1 3.61Å; W286-I320 HydrophobicContact CE3-CG2 4.35Å; W286-I320 HydrophobicContact CZ3-CG2 3.85Å; C292-I320 VanDerWaalsContact CA-O 3.31Å; C292-I320 WeakPolarHBondContact CA-O 3.39Å; C292-I320 WeakPolarHBondContact CB-O 3.12Å; E293-I320 HydrophobicContact CB-CB 4.41Å; E293-I320 HydrophobicContact CB-CD1 4.28Å; E293-I320 PolarHBondContact N-O 2.99Å; E293-I320 VanDerWaalsContact N-O 3.15Å; E293-I320 PolarHBondContact O-N 2.86Å; I320-L325 HydrophobicContact CG1-CD1 4.22Å; I320-W343 HydrophobicContact CG2-CH2 4.42Å; I320-W343 HydrophobicContact CG2-CZ2 4.26Å
321	H	81.6	Confident	79.5	Confident	7 Å²	7	36.2 Å²	36.2	3%	0.032	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	167	-174.9	59.1	89.5	0	0	0	111.3	Y215 W286 V319 S323 G324 D326	Y215-H321 HydrophobicContact CD1-CB 3.99Å; Y215-H321 HydrophobicContact CD2-CB 3.74Å; Y215-H321 HydrophobicContact CE1-CB 4.33Å; Y215-H321 HydrophobicContact CE2-CB 4.14Å; Y215-H321 HydrophobicContact CG-CB 3.65Å; Y215-H321 AromaticContact CG-CG 3.88Å; W286-H321 VanDerWaalsContact CH2-C 3.4Å; V319-H321 PolarHBondContact O-CD2 3.48Å; H321-S323 PolarHBondContact CE1-OG 3.5Å; H321-S323 PolarHBondContact ND1-N 2.92Å; H321-S323 PolarHBondContact ND1-OG 2.94Å; H321-S323 PolarHBondContact O-N 2.98Å; H321-G324 PolarHBondContact CD2-O 3.24Å; H321-G324 PolarHBondContact CE1-N 2.77Å; H321-G324 PolarHBondContact N-O 3.15Å; H321-G324 PolarHBondContact ND1-N 3.07Å; H321-G324 PolarHBondContact O-N 3.36Å; H321-D326 IonicContact CD2-OD2 3.25Å; H321-D326 IonicContact CE1-OD1 3.55Å; H321-D326 VanDerWaalsContact NE2-CG 3.29Å; H321-D326 IonicContact NE2-OD1 2.59Å; H321-D326 PolarHBondContact NE2-OD1 2.87Å; H321-D326 IonicContact NE2-OD2 2.65Å; H321-D326 PolarHBondContact NE2-OD2 3.05Å
322	P	76.1	Confident	80.9	Confident	18 Å²	18	30.1 Å²	30.1	12%	0.117	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.9	-172.7	-21.6	26.2	0	0	0	115.3	P181 V212 W286 V289 W343	P181-P322 HydrophobicContact CB-CG 4.2Å; P181-P322 HydrophobicContact CG-CG 4.35Å; V212-P322 HydrophobicContact CB-CB 4.41Å; V212-P322 HydrophobicContact CG1-CB 4.13Å; V212-P322 HydrophobicContact CG1-CG 4.05Å; V212-P322 HydrophobicContact CG2-CB 4.15Å; V212-P322 HydrophobicContact CG2-CG 4.17Å; W286-P322 HydrophobicContact CH2-CB 4.44Å; W286-P322 HydrophobicContact CH2-CG 4.11Å; W286-P322 HydrophobicContact CZ2-CB 3.8Å; W286-P322 HydrophobicContact CZ2-CG 3.71Å; V289-P322 HydrophobicContact CG1-CG 4.09Å; P322-W343 PolarHBondContact O-N 3.14Å; P322-W343 VanDerWaalsContact O-N 3.14Å
323	S	75.1	Confident	81.7	Confident	23 Å²	23	22.4 Å²	22.4	16%	0.161	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	1	-179	48.4	0	0	0	0	114.9	V212 H321 L341	V212-S323 WeakPolarHBondContact CG1-OG 3.11Å; V212-S323 WeakPolarHBondContact O-CB 3.03Å; V212-S323 PolarHBondContact O-OG 2.98Å; H321-S323 PolarHBondContact CE1-OG 3.5Å; H321-S323 PolarHBondContact ND1-N 2.92Å; H321-S323 PolarHBondContact ND1-OG 2.94Å; H321-S323 PolarHBondContact O-N 2.98Å; S323-L341 CarbonylContact C-O 3.59Å; S323-L341 WeakPolarHBondContact CA-O 3.45Å; S323-L341 CarbonylContact O-C 3.58Å; S323-L341 PolarHBondContact O-N 2.84Å
324	G	78.1	Confident	82.3	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.4	-162.2	-176.9	0	0	0	0	0	116.5	H321 I339 L341 W343	H321-G324 PolarHBondContact CD2-O 3.24Å; H321-G324 PolarHBondContact CE1-N 2.77Å; H321-G324 PolarHBondContact N-O 3.15Å; H321-G324 PolarHBondContact ND1-N 3.07Å; H321-G324 PolarHBondContact O-N 3.36Å; G324-I339 CarbonylContact C-O 3.53Å; G324-I339 WeakPolarHBondContact CA-O 3.44Å; G324-L341 PolarHBondContact N-O 3.13Å; G324-L341 VanDerWaalsContact N-O 3.12Å; G324-W343 PolarHBondContact O-NE1 3.46Å
325	L	83.8	Confident	82.6	Confident	2 Å²	2	21.4 Å²	21.4	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.4	171.2	179.4	152.7	0	0	0	108.2	L278 F282 V319 I320 M337 I339	L278-L325 HydrophobicContact CD2-CD2 4.16Å; F282-L325 HydrophobicContact CZ-CD1 4.4Å; V319-L325 WeakPolarHBondContact O-CA 3.49Å; I320-L325 HydrophobicContact CG1-CD1 4.22Å; L325-M337 HydrophobicContact CD2-CE 3.4Å; L325-I339 HydrophobicContact CB-CB 4.39Å; L325-I339 HydrophobicContact CD2-CD1 4.38Å; L325-I339 PolarHBondContact N-O 3Å; L325-I339 PolarHBondContact O-N 3.41Å
326	D	83.6	Confident	82.6	Confident	12 Å²	12	20.9 Å²	20.9	6%	0.064	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.3	175.2	-59.7	-21.3	0	0	0	108.6	A318 V319 H321 L328 T338	A318-D326 CarbonylContact C-O 3.56Å; A318-D326 WeakPolarHBondContact CA-O 3.43Å; V319-D326 HydrophobicContact CB-CB 4.47Å; V319-D326 PolarHBondContact N-O 3.4Å; V319-D326 PolarHBondContact O-N 3.36Å; H321-D326 IonicContact CD2-OD2 3.25Å; H321-D326 IonicContact CE1-OD1 3.55Å; H321-D326 VanDerWaalsContact NE2-CG 3.29Å; H321-D326 IonicContact NE2-OD1 2.59Å; H321-D326 PolarHBondContact NE2-OD1 2.87Å; H321-D326 IonicContact NE2-OD2 2.65Å; H321-D326 PolarHBondContact NE2-OD2 3.05Å; D326-L328 HydrophobicContact CB-CD2 4.37Å; D326-T338 WeakPolarHBondContact OD1-CG2 3.37Å
327	L	85.5	Confident	82.4	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	116	171.7	-174.8	74.4	0	0	0	108.4	F274 L278 A299 A316 I317 A318 L336 M337	F274-L327 HydrophobicContact CB-CD2 4.36Å; F274-L327 HydrophobicContact CD1-CD2 4.08Å; F274-L327 HydrophobicContact CD2-CD2 3.98Å; F274-L327 HydrophobicContact CE1-CD2 4.32Å; F274-L327 HydrophobicContact CE2-CD2 4.2Å; F274-L327 HydrophobicContact CG-CD2 3.89Å; F274-L327 HydrophobicContact CZ-CD2 4.38Å; L278-L327 HydrophobicContact CD2-CD1 4.39Å; A299-L327 HydrophobicContact CB-CD1 4.33Å; A299-L327 HydrophobicContact CB-CD2 3.87Å; A316-L327 HydrophobicContact CB-CD1 3.9Å; A316-L327 HydrophobicContact CB-CG 4.29Å; I317-L327 CarbonylContact O-C 3.45Å; I317-L327 WeakPolarHBondContact O-CA 3.44Å; A318-L327 HydrophobicContact CB-CD1 4.12Å; L327-L336 HydrophobicContact CD2-CB 4.28Å; L327-L336 HydrophobicContact CD2-CD1 4.42Å; L327-L336 HydrophobicContact CG-CB 4.39Å; L327-L336 HydrophobicContact CG-CD1 4.4Å; L327-L336 WeakPolarHBondContact O-CB 3.38Å; L327-L336 PolarHBondContact O-N 2.99Å; L327-M337 HydrophobicContact CB-CB 4.24Å; L327-M337 HydrophobicContact CB-CE 3.69Å; L327-M337 HydrophobicContact CD2-CB 4.47Å; L327-M337 HydrophobicContact CD2-CE 4.4Å; L327-M337 PolarHBondContact N-O 3.02Å; L327-M337 PolarHBondContact O-N 3.13Å
328	L	86.4	Confident	82	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	145.2	-175.9	-51.7	178.6	0	0	0	110.4	T217 W229 H231 A316 I317 V319 D326 L330 H334 P335	T217-L328 HydrophobicContact CG2-CD1 3.92Å; T217-L328 WeakPolarHBondContact OG1-CD1 3.33Å; W229-L328 HydrophobicContact CH2-CD1 4.48Å; W229-L328 HydrophobicContact CZ3-CD1 4.49Å; H231-L328 HydrophobicContact CB-CD1 4.36Å; A316-L328 CarbonylContact C-O 3.57Å; A316-L328 VanDerWaalsContact CA-O 3.27Å; A316-L328 WeakPolarHBondContact CA-O 3.29Å; A316-L328 WeakPolarHBondContact CB-O 3.44Å; I317-L328 PolarHBondContact N-O 2.86Å; I317-L328 PolarHBondContact O-N 2.76Å; V319-L328 HydrophobicContact CG2-CD1 4.34Å; D326-L328 HydrophobicContact CB-CD2 4.37Å; L328-L330 PolarHBondContact O-N 2.78Å; L328-H334 CarbonylContact C-O 3.55Å; L328-H334 WeakPolarHBondContact CA-O 3.24Å; L328-P335 HydrophobicContact CD2-CB 3.84Å
329	D	85.4	Confident	81.6	Confident	44 Å²	44	23.8 Å²	23.8	24%	0.235	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	131.8	168.5	172.3	37.9	0	0	0	109.9	K331 S332 G333 H334 L336	D329-K331 VanDerWaalsContact C-N 3.27Å; D329-K331 PolarHBondContact O-N 2.89Å; D329-K331 PolarHBondContact OD1-N 3.1Å; D329-S332 WeakPolarHBondContact CB-OG 3.41Å; D329-S332 WeakPolarHBondContact OD2-CB 2.96Å; D329-S332 PolarHBondContact OD2-N 3.5Å; D329-S332 VanDerWaalsContact OD2-N 3.09Å; D329-S332 PolarHBondContact OD2-OG 3.43Å; D329-G333 VanDerWaalsContact O-CA 3.31Å; D329-G333 WeakPolarHBondContact O-CA 3.47Å; D329-G333 PolarHBondContact O-N 2.87Å; D329-H334 PolarHBondContact N-O 3Å; D329-L336 HydrophobicContact CB-CD1 4.29Å; D329-L336 HydrophobicContact CB-CD2 4.23Å; D329-L336 HydrophobicContact CB-CG 4.19Å
330	L	84.5	Confident	81.1	Confident	3 Å²	3	29.5 Å²	29.5	2%	0.016	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-33.5	-174.8	177.4	70.5	0	0	0	112.7	L192 V193 F202 W229 L296 P314 N315 I317 L328	L192-L330 HydrophobicContact CD2-CD2 3.35Å; L192-L330 HydrophobicContact CG-CD2 3.86Å; V193-L330 HydrophobicContact CG2-CD1 3.9Å; V193-L330 HydrophobicContact CG2-CD2 4.45Å; V193-L330 HydrophobicContact CG2-CG 3.96Å; F202-L330 HydrophobicContact CE1-CD1 4.24Å; F202-L330 HydrophobicContact CE2-CD1 4.36Å; F202-L330 HydrophobicContact CZ-CD1 3.62Å; W229-L330 PolarHBondContact NE1-O 3.44Å; L296-L330 HydrophobicContact CD2-CD1 3.52Å; P314-L330 VanDerWaalsContact O-CD2 3.27Å; P314-L330 WeakPolarHBondContact O-CD2 3.4Å; N315-L330 VanDerWaalsContact C-CB 3.44Å; N315-L330 WeakPolarHBondContact O-CB 3.5Å; N315-L330 PolarHBondContact O-N 3.24Å; N315-L330 VanDerWaalsContact O-N 3.13Å; I317-L330 HydrophobicContact CD1-CD1 3.8Å; I317-L330 HydrophobicContact CG1-CB 4.48Å; I317-L330 HydrophobicContact CG1-CD1 3.61Å; L328-L330 PolarHBondContact O-N 2.78Å
331	K	83.9	Confident	80.6	Confident	135 Å²	135	30.6 Å²	30.6	59%	0.587	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-43.1	-174.1	-69.7	-178.8	179.7	173.9	0	112.9	D329	D329-K331 VanDerWaalsContact C-N 3.27Å; D329-K331 PolarHBondContact O-N 2.89Å; D329-K331 PolarHBondContact OD1-N 3.1Å
332	S	81.8	Confident	80.3	Confident	39 Å²	39	39.6 Å²	39.6	27%	0.273	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-23.7	-174.4	63.3	0	0	0	0	114.1	D329 H334	D329-S332 WeakPolarHBondContact CB-OG 3.41Å; D329-S332 WeakPolarHBondContact OD2-CB 2.96Å; D329-S332 PolarHBondContact OD2-N 3.5Å; D329-S332 VanDerWaalsContact OD2-N 3.09Å; D329-S332 PolarHBondContact OD2-OG 3.43Å; S332-H334 WeakPolarHBondContact CB-CD2 3.47Å; S332-H334 PolarHBondContact O-N 2.98Å; S332-H334 WeakPolarHBondContact OG-CB 3.42Å; S332-H334 PolarHBondContact OG-CD2 2.9Å; S332-H334 PolarHBondContact OG-N 3.27Å
333	G	80.4	Confident	80.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.			trans	75.3	3.9	-169.7	0	0	0	0	0	114.1	W229 D329	W229-G333 VanDerWaalsContact CE3-CA 3.43Å; D329-G333 VanDerWaalsContact O-CA 3.31Å; D329-G333 WeakPolarHBondContact O-CA 3.47Å; D329-G333 PolarHBondContact O-N 2.87Å
334	H	82.4	Confident	80.2	Confident	93 Å²	93	42.9 Å²	42.9	43%	0.431	21%	0.214	S	C	.	.			trans	-65.9	138.2	176.3	-77.1	-65.6	0	0	0	111	F236 L328 D329 S332 L336	F236-H334 AromaticContact CD1-CE1 3.38Å; F236-H334 WeakPolarHBondContact CD1-CE1 3.35Å; F236-H334 AromaticContact CD1-ND1 3.17Å; F236-H334 WeakPolarHBondContact CD1-ND1 3.31Å; F236-H334 AromaticContact CE1-CE1 3.07Å; F236-H334 WeakPolarHBondContact CE1-CE1 3.36Å; F236-H334 AromaticContact CE1-ND1 2.98Å; F236-H334 WeakPolarHBondContact CE1-ND1 3.29Å; F236-H334 AromaticContact CZ-ND1 3.7Å; L328-H334 CarbonylContact C-O 3.55Å; L328-H334 WeakPolarHBondContact CA-O 3.24Å; D329-H334 PolarHBondContact N-O 3Å; S332-H334 WeakPolarHBondContact CB-CD2 3.47Å; S332-H334 PolarHBondContact O-N 2.98Å; S332-H334 WeakPolarHBondContact OG-CB 3.42Å; S332-H334 PolarHBondContact OG-CD2 2.9Å; S332-H334 PolarHBondContact OG-N 3.27Å; H334-L336 PolarHBondContact O-N 3.16Å
335	P	79.6	Confident	79.9	Confident	11 Å²	11	47.7 Å²	47.7	7%	0.071	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	122.2	175.4	29.2	-32.8	0	0	0	110.4	E268 L328	E268-P335 HydrophobicContact CG-CB 4.21Å; E268-P335 HydrophobicContact CG-CG 4.36Å; E268-P335 WeakPolarHBondContact OE1-CB 3.49Å; E268-P335 WeakPolarHBondContact OE1-CG 3.32Å; L328-P335 HydrophobicContact CD2-CB 3.84Å
336	L	82	Confident	79.3	Confident	47 Å²	47	47.9 Å²	47.9	25%	0.246	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-31.2	172.8	-64.7	174.2	0	0	0	111.4	S269 F274 A316 L327 D329 H334	S269-L336 PolarHBondContact N-O 3.15Å; S269-L336 PolarHBondContact OG-O 3.03Å; S269-L336 VanDerWaalsContact OG-O 3.1Å; F274-L336 HydrophobicContact CE2-CB 4.33Å; F274-L336 HydrophobicContact CZ-CB 4.25Å; A316-L336 HydrophobicContact CB-CD1 4.08Å; L327-L336 HydrophobicContact CD2-CB 4.28Å; L327-L336 HydrophobicContact CD2-CD1 4.42Å; L327-L336 HydrophobicContact CG-CB 4.39Å; L327-L336 HydrophobicContact CG-CD1 4.4Å; L327-L336 WeakPolarHBondContact O-CB 3.38Å; L327-L336 PolarHBondContact O-N 2.99Å; D329-L336 HydrophobicContact CB-CD1 4.29Å; D329-L336 HydrophobicContact CB-CD2 4.23Å; D329-L336 HydrophobicContact CB-CG 4.19Å; H334-L336 PolarHBondContact O-N 3.16Å
337	M	79.6	Confident	78.9	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	136.5	-176	171.8	-150.5	82.4	0	0	110	W271 F274 L278 L325 L327 I339	W271-M337 WeakPolarHBondContact CA-SD 3.49Å; W271-M337 HydrophobicContact CB-CE 4.39Å; W271-M337 HydrophobicContact CB-CG 3.75Å; W271-M337 HydrophobicContact CB-SD 3.25Å; W271-M337 WeakPolarHBondContact CB-SD 3.46Å; F274-M337 HydrophobicContact CB-SD 4.21Å; F274-M337 HydrophobicContact CD2-CB 3.97Å; F274-M337 HydrophobicContact CD2-CG 4.36Å; F274-M337 HydrophobicContact CD2-SD 3.91Å; F274-M337 HydrophobicContact CE2-CB 4.05Å; L278-M337 HydrophobicContact CD1-CE 3.72Å; L278-M337 HydrophobicContact CD1-SD 3.73Å; L278-M337 HydrophobicContact CD2-CE 4.13Å; L325-M337 HydrophobicContact CD2-CE 3.4Å; L327-M337 HydrophobicContact CB-CB 4.24Å; L327-M337 HydrophobicContact CB-CE 3.69Å; L327-M337 HydrophobicContact CD2-CB 4.47Å; L327-M337 HydrophobicContact CD2-CE 4.4Å; L327-M337 PolarHBondContact N-O 3.02Å; L327-M337 PolarHBondContact O-N 3.13Å; M337-I339 HydrophobicContact CE-CD1 3.79Å; M337-I339 HydrophobicContact CE-CG1 3.98Å; M337-I339 HydrophobicContact SD-CD1 4.28Å; M337-I339 HydrophobicContact SD-CG1 4.39Å
338	T	77.3	Confident	78.5	Confident	50 Å²	50	47.3 Å²	47.3	31%	0.307	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.4	175.9	-59.8	0	0	0	0	110.2	E268 D326 T340	E268-T338 PolarHBondContact OE1-OG1 3.24Å; E268-T338 WeakPolarHBondContact OE2-CB 3.5Å; E268-T338 PolarHBondContact OE2-OG1 2.86Å; D326-T338 WeakPolarHBondContact OD1-CG2 3.37Å; T338-T340 HydrophobicContact CG2-CG2 4.28Å
339	I	76.6	Confident	78.3	Confident	14 Å²	14	47.3 Å²	47.3	7%	0.072	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	111	172.7	-64.7	169.8	0	0	0	108.3	W271 L278 G324 L325 M337 L341 I370	W271-I339 HydrophobicContact CB-CD1 3.64Å; W271-I339 HydrophobicContact CB-CG1 3.69Å; W271-I339 HydrophobicContact CD2-CD1 4.26Å; W271-I339 HydrophobicContact CE3-CD1 4.38Å; W271-I339 HydrophobicContact CG-CD1 3.93Å; W271-I339 HydrophobicContact CG-CG1 4.07Å; L278-I339 HydrophobicContact CD1-CD1 4.36Å; G324-I339 CarbonylContact C-O 3.53Å; G324-I339 WeakPolarHBondContact CA-O 3.44Å; L325-I339 HydrophobicContact CB-CB 4.39Å; L325-I339 HydrophobicContact CD2-CD1 4.38Å; L325-I339 PolarHBondContact N-O 3Å; L325-I339 PolarHBondContact O-N 3.41Å; M337-I339 HydrophobicContact CE-CD1 3.79Å; M337-I339 HydrophobicContact CE-CG1 3.98Å; M337-I339 HydrophobicContact SD-CD1 4.28Å; M337-I339 HydrophobicContact SD-CG1 4.39Å; I339-L341 HydrophobicContact CG2-CB 4.42Å; I339-L341 HydrophobicContact CG2-CD1 3.44Å; I339-L341 VanDerWaalsContact CG2-CD1 3.44Å; I339-L341 HydrophobicContact CG2-CG 3.6Å; I339-L341 PolarHBondContact O-N 3.17Å; I339-I370 HydrophobicContact CD1-CD1 4.05Å; I339-I370 HydrophobicContact CG2-CD1 4.5Å
340	T	76.4	Confident	78	Confident	119 Å²	119	45.4 Å²	45.4	73%	0.73	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87	99.8	175.6	45.9	0	0	0	0	110.7	T338	T338-T340 HydrophobicContact CG2-CG2 4.28Å
341	L	72.1	Confident	77.6	Confident	24 Å²	24	46 Å²	46	13%	0.126	23%	0.231	C	C	.	.			trans	-129.4	126.9	177.9	-77.2	169	0	0	0	109.5	S323 G324 I339 W343 I370 H419	S323-L341 CarbonylContact C-O 3.59Å; S323-L341 WeakPolarHBondContact CA-O 3.45Å; S323-L341 CarbonylContact O-C 3.58Å; S323-L341 PolarHBondContact O-N 2.84Å; G324-L341 PolarHBondContact N-O 3.13Å; G324-L341 VanDerWaalsContact N-O 3.12Å; I339-L341 HydrophobicContact CG2-CB 4.42Å; I339-L341 HydrophobicContact CG2-CD1 3.44Å; I339-L341 VanDerWaalsContact CG2-CD1 3.44Å; I339-L341 HydrophobicContact CG2-CG 3.6Å; I339-L341 PolarHBondContact O-N 3.17Å; L341-W343 PolarHBondContact O-N 3.24Å; L341-W343 VanDerWaalsContact O-N 3.15Å; L341-I370 HydrophobicContact CD1-CD1 4.08Å; L341-I370 HydrophobicContact CD1-CG2 4.31Å; L341-H419 HydrophobicContact CD2-CB 4.24Å
342	K	76.3	Confident	76.9	Confident	197 Å²	197	40 Å²	40	86%	0.857	21%	0.205	S	C	*	.			trans	-80.9	97.3	172.2	-71	-175.7	180	178.3	0	109.3	K344	K342-K344 PolarHBondContact O-N 2.94Å
343	W	74.4	Confident	75.9	Confident	16 Å²	16	39.7 Å²	39.7	6%	0.061	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-67.4	123.4	-177.4	-66.3	75.7	0	0	0	110.8	F282 V284 W286 I320 P322 G324 L341 Y349	F282-W343 HydrophobicContact CE1-CH2 4.05Å; V284-W343 HydrophobicContact CB-CH2 3.66Å; V284-W343 HydrophobicContact CB-CZ3 3.65Å; V284-W343 HydrophobicContact CG1-CE3 4.35Å; V284-W343 HydrophobicContact CG1-CH2 3.62Å; V284-W343 HydrophobicContact CG1-CZ3 3.4Å; V284-W343 HydrophobicContact CG2-CH2 4.18Å; W286-W343 HydrophobicContact CB-CE3 3.92Å; W286-W343 HydrophobicContact CD2-CB 3.8Å; W286-W343 HydrophobicContact CD2-CD2 4.36Å; W286-W343 HydrophobicContact CD2-CE3 4.11Å; W286-W343 HydrophobicContact CD2-CG 4.24Å; W286-W343 HydrophobicContact CE3-CB 4.45Å; W286-W343 HydrophobicContact CE3-CD2 4.23Å; W286-W343 AromaticContact CE3-CE3 3.96Å; W286-W343 HydrophobicContact CE3-CE3 3.96Å; W286-W343 HydrophobicContact CE3-CG 4.42Å; W286-W343 HydrophobicContact CG-CB 3.83Å; W286-W343 HydrophobicContact CG-CE3 4.11Å; I320-W343 HydrophobicContact CG2-CH2 4.42Å; I320-W343 HydrophobicContact CG2-CZ2 4.26Å; P322-W343 PolarHBondContact O-N 3.14Å; P322-W343 VanDerWaalsContact O-N 3.14Å; G324-W343 PolarHBondContact O-NE1 3.46Å; L341-W343 PolarHBondContact O-N 3.24Å; L341-W343 VanDerWaalsContact O-N 3.15Å; W343-Y349 WeakPolarHBondContact CA-OH 3.24Å; W343-Y349 HydrophobicContact CB-CE2 4.22Å; W343-Y349 AromaticContact CD2-CD2 3.87Å; W343-Y349 HydrophobicContact CD2-CD2 3.87Å; W343-Y349 AromaticContact CD2-CE2 3.82Å; W343-Y349 HydrophobicContact CD2-CE2 3.82Å; W343-Y349 HydrophobicContact CD2-CG 4.26Å; W343-Y349 HydrophobicContact CE3-CD1 4.3Å; W343-Y349 AromaticContact CE3-CD2 2.94Å; W343-Y349 HydrophobicContact CE3-CD2 2.94Å; W343-Y349 AromaticContact CE3-CE2 3.21Å; W343-Y349 HydrophobicContact CE3-CE2 3.21Å; W343-Y349 AromaticContact CE3-CG 3.55Å; W343-Y349 HydrophobicContact CE3-CG 3.55Å; W343-Y349 HydrophobicContact CG-CE2 4.29Å; W343-Y349 HydrophobicContact CH2-CD1 4.48Å; W343-Y349 AromaticContact CH2-CD2 3.97Å; W343-Y349 HydrophobicContact CH2-CD2 3.97Å; W343-Y349 AromaticContact CH2-CG 3.74Å; W343-Y349 HydrophobicContact CH2-CG 3.74Å; W343-Y349 HydrophobicContact CZ2-CG 4.44Å; W343-Y349 HydrophobicContact CZ3-CD1 4.25Å; W343-Y349 AromaticContact CZ3-CD2 3.02Å; W343-Y349 HydrophobicContact CZ3-CD2 3.02Å; W343-Y349 AromaticContact CZ3-CE2 3.84Å; W343-Y349 HydrophobicContact CZ3-CE2 3.84Å; W343-Y349 AromaticContact CZ3-CG 3.27Å; W343-Y349 HydrophobicContact CZ3-CG 3.27Å
344	K	74.9	Confident	74.5	Confident	93 Å²	93	40.7 Å²	40.7	40%	0.404	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-81.6	137.1	175.1	-69.9	-166.7	-171.2	167.3	0	110.6	K342 G346 S347 Y349 E372	K342-K344 PolarHBondContact O-N 2.94Å; K344-G346 PolarHBondContact O-N 3.45Å; K344-S347 WeakPolarHBondContact O-CB 3.26Å; K344-S347 PolarHBondContact O-N 3.29Å; K344-Y349 PolarHBondContact N-OH 3.19Å; K344-E372 WeakPolarHBondContact CD-OE1 3.44Å
345	I	72	Confident	72.8	Confident	102 Å²	102	39.3 Å²	39.3	52%	0.523	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	129.8	177	-55.8	-175.5	0	0	0	109.2	Y287 V289	Y287-I345 WeakPolarHBondContact O-CG2 3.27Å; V289-I345 HydrophobicContact CG2-CD1 4.23Å
346	G	70.3	Confident	70.9	Confident	5 Å²	5	43.9 Å²	43.9	5%	0.052	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	9.4	-179.9	0	0	0	0	0	114.4	W286 K344 P474	W286-G346 WeakPolarHBondContact O-CA 3.45Å; W286-G346 PolarHBondContact O-N 2.93Å; K344-G346 PolarHBondContact O-N 3.45Å; G346-P474 WeakPolarHBondContact O-CA 3.35Å
347	S	75.2	Confident	68.7	Low	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	153.3	175.9	-62.3	0	0	0	0	111.8	W286 K344 E372 L373	W286-S347 WeakPolarHBondContact CB-O 3.4Å; W286-S347 PolarHBondContact N-O 2.7Å; K344-S347 WeakPolarHBondContact O-CB 3.26Å; K344-S347 PolarHBondContact O-N 3.29Å; S347-E372 PolarHBondContact OG-OE1 2.96Å; S347-L373 WeakPolarHBondContact CA-O 3.18Å
348	T	77.8	Confident	66.4	Low	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.5	169.9	-62.2	0	0	0	0	109.3	P283 R285 L373 P474 P475 V477	P283-T348 HydrophobicContact CB-CG2 4.03Å; R285-T348 HydrophobicContact CG-CG2 4.14Å; T348-L373 HydrophobicContact CG2-CD1 4.28Å; T348-L373 PolarHBondContact N-O 2.92Å; T348-L373 WeakPolarHBondContact O-CB 3.13Å; T348-L373 PolarHBondContact O-N 2.89Å; T348-P474 WeakPolarHBondContact OG1-CB 3.46Å; T348-P475 VanDerWaalsContact CB-O 3.31Å; T348-P475 WeakPolarHBondContact CB-O 3.35Å; T348-P475 WeakPolarHBondContact CG2-O 3.25Å; T348-P475 WeakPolarHBondContact OG1-CD 3.34Å; T348-P475 PolarHBondContact OG1-O 3.23Å; T348-V477 HydrophobicContact CG2-CG2 4.28Å
349	Y	81.2	Confident	64.2	Low	1 Å²	1	52.6 Å²	52.6	0%	0.004	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	137	174.1	-61.3	-108.1	0	0	0	108.4	F282 P283 V284 W343 K344 I370 Y371 E372 H419	F282-Y349 VanDerWaalsContact CD1-O 3.31Å; F282-Y349 WeakPolarHBondContact CD1-O 2.84Å; P283-Y349 WeakPolarHBondContact CA-O 3.25Å; V284-Y349 PolarHBondContact N-O 3.49Å; V284-Y349 PolarHBondContact O-N 2.99Å; W343-Y349 WeakPolarHBondContact CA-OH 3.24Å; W343-Y349 HydrophobicContact CB-CE2 4.22Å; W343-Y349 AromaticContact CD2-CD2 3.87Å; W343-Y349 HydrophobicContact CD2-CD2 3.87Å; W343-Y349 AromaticContact CD2-CE2 3.82Å; W343-Y349 HydrophobicContact CD2-CE2 3.82Å; W343-Y349 HydrophobicContact CD2-CG 4.26Å; W343-Y349 HydrophobicContact CE3-CD1 4.3Å; W343-Y349 AromaticContact CE3-CD2 2.94Å; W343-Y349 HydrophobicContact CE3-CD2 2.94Å; W343-Y349 AromaticContact CE3-CE2 3.21Å; W343-Y349 HydrophobicContact CE3-CE2 3.21Å; W343-Y349 AromaticContact CE3-CG 3.55Å; W343-Y349 HydrophobicContact CE3-CG 3.55Å; W343-Y349 HydrophobicContact CG-CE2 4.29Å; W343-Y349 HydrophobicContact CH2-CD1 4.48Å; W343-Y349 AromaticContact CH2-CD2 3.97Å; W343-Y349 HydrophobicContact CH2-CD2 3.97Å; W343-Y349 AromaticContact CH2-CG 3.74Å; W343-Y349 HydrophobicContact CH2-CG 3.74Å; W343-Y349 HydrophobicContact CZ2-CG 4.44Å; W343-Y349 HydrophobicContact CZ3-CD1 4.25Å; W343-Y349 AromaticContact CZ3-CD2 3.02Å; W343-Y349 HydrophobicContact CZ3-CD2 3.02Å; W343-Y349 AromaticContact CZ3-CE2 3.84Å; W343-Y349 HydrophobicContact CZ3-CE2 3.84Å; W343-Y349 AromaticContact CZ3-CG 3.27Å; W343-Y349 HydrophobicContact CZ3-CG 3.27Å; K344-Y349 PolarHBondContact N-OH 3.19Å; Y349-I370 HydrophobicContact CD1-CG2 4.24Å; Y349-Y371 CarbonylContact C-O 3.55Å; Y349-Y371 WeakPolarHBondContact CA-O 3.16Å; Y349-E372 HydrophobicContact CD1-CB 3.94Å; Y349-E372 HydrophobicContact CE1-CB 3.61Å; Y349-E372 HydrophobicContact CE1-CG 3.95Å; Y349-E372 HydrophobicContact CE2-CG 4.49Å; Y349-E372 PolarHBondContact OH-OE2 2.95Å; Y349-H419 AromaticContact CE1-NE2 3.99Å
350	T	78.9	Confident	62.2	Low	4 Å²	4	60.9 Å²	60.9	3%	0.025	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	155.9	-179.3	-170.2	0	0	0	0	110.2	L352 I370 Y371 L373 V477	T350-L352 HydrophobicContact CG2-CD1 3.73Å; T350-L352 HydrophobicContact CG2-CD2 4.39Å; T350-L352 HydrophobicContact CG2-CG 3.69Å; T350-I370 CarbonylContact O-C 3.58Å; T350-I370 WeakPolarHBondContact O-CA 3.15Å; T350-Y371 PolarHBondContact N-O 3.36Å; T350-Y371 PolarHBondContact O-N 2.89Å; T350-L373 HydrophobicContact CG2-CD1 3.47Å; T350-L373 VanDerWaalsContact CG2-CD1 3.47Å; T350-L373 HydrophobicContact CG2-CG 4.39Å; T350-V477 HydrophobicContact CG2-CG2 4.08Å
351	I	76.5	Confident	60.2	Low	14 Å²	14	59.3 Å²	59.3	7%	0.072	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125.3	167.1	-65.7	174.6	0	0	0	107.2	W271 T275 L278 F282 P368 T369 I370	W271-I351 HydrophobicContact CZ3-CD1 4.48Å; T275-I351 HydrophobicContact CG2-CD1 4.29Å; T275-I351 HydrophobicContact CG2-CG2 4.32Å; L278-I351 HydrophobicContact CB-CD1 4.16Å; F282-I351 HydrophobicContact CD2-CD1 3.37Å; F282-I351 HydrophobicContact CD2-CG1 3.54Å; F282-I351 HydrophobicContact CE2-CD1 3.62Å; F282-I351 HydrophobicContact CE2-CG1 3.85Å; F282-I351 HydrophobicContact CG-CD1 4.27Å; F282-I351 HydrophobicContact CG-CG1 4Å; I351-P368 HydrophobicContact CG2-CB 3.24Å; I351-T369 WeakPolarHBondContact CA-O 3.41Å; I351-I370 HydrophobicContact CG1-CG1 4.19Å
352	L	69.4	Low	58.4	Low	10 Å²	10	62 Å²	62	5%	0.052	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143.4	173	-65.9	167.1	0	0	0	109.1	T350 T369 Y371 H520 I522 N536	T350-L352 HydrophobicContact CG2-CD1 3.73Å; T350-L352 HydrophobicContact CG2-CD2 4.39Å; T350-L352 HydrophobicContact CG2-CG 3.69Å; L352-T369 PolarHBondContact N-O 2.9Å; L352-T369 PolarHBondContact O-N 3.36Å; L352-T369 VanDerWaalsContact O-N 3.11Å; L352-Y371 HydrophobicContact CB-CD2 3.73Å; L352-Y371 HydrophobicContact CB-CE2 4.01Å; L352-Y371 HydrophobicContact CD1-CD2 4.28Å; L352-Y371 HydrophobicContact CD1-CG 4.34Å; L352-Y371 HydrophobicContact CG-CD2 4.37Å; L352-H520 HydrophobicContact CD2-CB 3.91Å; L352-I522 HydrophobicContact CD1-CD1 4.27Å; L352-N536 HydrophobicContact CD2-CB 4.21Å
353	S	60.7	Low	56.4	Low	33 Å²	33	65 Å²	65	23%	0.231	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-82.5	124.8	165	44.2	0	0	0	0	108.9
354	T	52	Low	54.7	Low	20 Å²	20	72 Å²	72	12%	0.123	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-64.3	138.7	172.5	44	0	0	0	0	110.3	V356 G366 Y371	T354-V356 PolarHBondContact O-N 2.92Å; T354-G366 PolarHBondContact OG1-N 2.94Å; T354-Y371 HydrophobicContact CG2-CE2 4.48Å; T354-Y371 WeakPolarHBondContact CG2-OH 3.33Å
355	P	44.8	Very low	52.9	Low	65 Å²	65	69.5 Å²	69.5	42%	0.422	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-61.7	138.4	163.9	25.2	-29.8	0	0	0	110	S357	P355-S357 PolarHBondContact O-N 3.34Å; P355-S357 VanDerWaalsContact O-N 3.08Å
356	V	40.3	Very low	51.6	Low	106 Å²	106	66.5 Å²	66.5	64%	0.642	37%	0.373	S	S	*	.			trans	-63.8	103.8	160.5	-180	0	0	0	0	105.7	T354 D358	T354-V356 PolarHBondContact O-N 2.92Å; V356-D358 PolarHBondContact O-N 2.8Å
357	S	36.6	Very low	50.8	Low	60 Å²	60	69.1 Å²	69.1	42%	0.42	39%	0.391	S	S	.	.			trans	-75.2	121.2	169.5	66.7	0	0	0	0	107.7	P355 G359	P355-S357 PolarHBondContact O-N 3.34Å; P355-S357 VanDerWaalsContact O-N 3.08Å; S357-G359 PolarHBondContact O-N 2.85Å; S357-G359 VanDerWaalsContact O-N 3.13Å
358	D	30.3	Very low	50.3	Low	166 Å²	166	71.7 Å²	71.7	89%	0.888	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	120.2	173.5	-82.3	-37.7	0	0	0	110.9	V356	V356-D358 PolarHBondContact O-N 2.8Å
359	G	32.3	Very low	49.7	Very low	56 Å²	56	72 Å²	72	58%	0.577	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	109.3	173.6	0	0	0	0	0	114.7	S357	S357-G359 PolarHBondContact O-N 2.85Å; S357-G359 VanDerWaalsContact O-N 3.13Å
360	L	34.6	Very low	49.4	Very low	187 Å²	187	72.2 Å²	72.2	98%	0.979	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-0.7	155.2	-67.1	148.1	0	0	0	120.5
361	I	33.1	Very low	49.2	Very low	87 Å²	87	73 Å²	73	45%	0.446	41%	0.413	S	S	.	.	S	Bend	trans	-107.1	128.9	171.9	-36.3	-176.4	0	0	0	110.5	L365	I361-L365 HydrophobicContact CB-CD1 4.07Å; I361-L365 HydrophobicContact CB-CD2 4.35Å; I361-L365 HydrophobicContact CG2-CD1 3.26Å; I361-L365 HydrophobicContact CG2-CD2 3.87Å; I361-L365 HydrophobicContact CG2-CG 4.21Å
362	S	34.8	Very low	49.4	Very low	79 Å²	79	72.5 Å²	72.5	55%	0.552	41%	0.411	S	S	*	.			trans	-59.9	155.5	-165.8	65.6	0	0	0	0	114.1	Q364 L365	S362-Q364 PolarHBondContact O-N 2.87Å; S362-L365 VanDerWaalsContact O-CD1 3.23Å; S362-L365 WeakPolarHBondContact O-CD1 3.46Å; S362-L365 PolarHBondContact O-N 2.88Å
363	R	33.7	Very low	49.6	Very low	261 Å²	261	72 Å²	72	99%	0.985	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	7.2	-179.8	-83.7	179.4	170.2	178.9	-4.2	117.5
364	Q	39.1	Very low	50.3	Low	164 Å²	164	74.4 Å²	74.4	77%	0.766	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-6.7	173.3	-74.6	-176.9	-25.4	0	0	113.6	S362	S362-Q364 PolarHBondContact O-N 2.87Å
365	L	37.2	Very low	51	Low	39 Å²	39	73.8 Å²	73.8	20%	0.204	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	120.2	173.5	-75.8	88.4	0	0	0	110.4	I361 S362	I361-L365 HydrophobicContact CB-CD1 4.07Å; I361-L365 HydrophobicContact CB-CD2 4.35Å; I361-L365 HydrophobicContact CG2-CD1 3.26Å; I361-L365 HydrophobicContact CG2-CD2 3.87Å; I361-L365 HydrophobicContact CG2-CG 4.21Å; S362-L365 VanDerWaalsContact O-CD1 3.23Å; S362-L365 WeakPolarHBondContact O-CD1 3.46Å; S362-L365 PolarHBondContact O-N 2.88Å
366	G	45.3	Very low	51.9	Low	39 Å²	39	72 Å²	72	40%	0.402	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	138.2	-16.6	-172	0	0	0	0	0	112.8	T354	T354-G366 PolarHBondContact OG1-N 2.94Å
367	S	53.7	Low	52.8	Low	61 Å²	61	68.5 Å²	68.5	43%	0.427	38%	0.379	S	S	.	.	S	Bend	trans	-69.2	136.7	171.1	59.6	0	0	0	0	110.3	T369	S367-T369 PolarHBondContact O-N 2.86Å; S367-T369 VanDerWaalsContact O-N 3.16Å
368	P	63.5	Low	53.7	Low	53 Å²	53	69.5 Å²	69.5	34%	0.344	38%	0.377	S	S	.	.			trans	-62.8	121.3	178.6	-1.6	10.2	0	0	0	109	W271 T275 I351	W271-P368 WeakPolarHBondContact CH2-O 3.45Å; T275-P368 HydrophobicContact CG2-CB 3.49Å; T275-P368 VanDerWaalsContact CG2-CB 3.49Å; T275-P368 HydrophobicContact CG2-CG 3.55Å; I351-P368 HydrophobicContact CG2-CB 3.24Å
369	T	66.4	Low	54.8	Low	7 Å²	7	65.4 Å²	65.4	4%	0.043	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	154.4	179.9	48.2	0	0	0	0	111.9	I351 L352 S367 Y371 R418	I351-T369 WeakPolarHBondContact CA-O 3.41Å; L352-T369 PolarHBondContact N-O 2.9Å; L352-T369 PolarHBondContact O-N 3.36Å; L352-T369 VanDerWaalsContact O-N 3.11Å; S367-T369 PolarHBondContact O-N 2.86Å; S367-T369 VanDerWaalsContact O-N 3.16Å; T369-Y371 WeakPolarHBondContact O-CD2 3.21Å; T369-Y371 WeakPolarHBondContact OG1-CE2 3.09Å; T369-R418 PolarHBondContact OG1-NE 2.88Å; T369-R418 VanDerWaalsContact OG1-NE 3.1Å
370	I	74.8	Confident	55.7	Low	5 Å²	5	63.7 Å²	63.7	3%	0.026	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	126.3	179.1	-60.5	173.1	0	0	0	108.5	W271 F282 I339 L341 Y349 T350 I351 H419	W271-I370 HydrophobicContact CE3-CD1 4.36Å; W271-I370 HydrophobicContact CH2-CG1 4.11Å; W271-I370 HydrophobicContact CZ3-CD1 4.28Å; W271-I370 HydrophobicContact CZ3-CG1 4.07Å; F282-I370 HydrophobicContact CZ-CD1 4.36Å; F282-I370 HydrophobicContact CZ-CG1 4.48Å; I339-I370 HydrophobicContact CD1-CD1 4.05Å; I339-I370 HydrophobicContact CG2-CD1 4.5Å; L341-I370 HydrophobicContact CD1-CD1 4.08Å; L341-I370 HydrophobicContact CD1-CG2 4.31Å; Y349-I370 HydrophobicContact CD1-CG2 4.24Å; T350-I370 CarbonylContact O-C 3.58Å; T350-I370 WeakPolarHBondContact O-CA 3.15Å; I351-I370 HydrophobicContact CG1-CG1 4.19Å; I370-H419 HydrophobicContact CB-CB 4.36Å; I370-H419 HydrophobicContact CG2-CB 4.48Å; I370-H419 PolarHBondContact O-N 3.27Å
371	Y	75.3	Confident	56.3	Low	20 Å²	20	61.1 Å²	61.1	8%	0.078	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.3	173.4	-79.4	-90.1	0	0	0	110	Y349 T350 L352 T354 T369 F416 I417 R418	Y349-Y371 CarbonylContact C-O 3.55Å; Y349-Y371 WeakPolarHBondContact CA-O 3.16Å; T350-Y371 PolarHBondContact N-O 3.36Å; T350-Y371 PolarHBondContact O-N 2.89Å; L352-Y371 HydrophobicContact CB-CD2 3.73Å; L352-Y371 HydrophobicContact CB-CE2 4.01Å; L352-Y371 HydrophobicContact CD1-CD2 4.28Å; L352-Y371 HydrophobicContact CD1-CG 4.34Å; L352-Y371 HydrophobicContact CG-CD2 4.37Å; T354-Y371 HydrophobicContact CG2-CE2 4.48Å; T354-Y371 WeakPolarHBondContact CG2-OH 3.33Å; T369-Y371 WeakPolarHBondContact O-CD2 3.21Å; T369-Y371 WeakPolarHBondContact OG1-CE2 3.09Å; Y371-F416 HydrophobicContact CD1-CB 4.33Å; Y371-I417 CarbonylContact C-O 3.56Å; Y371-I417 WeakPolarHBondContact CA-O 3.08Å; Y371-R418 HydrophobicContact CD1-CB 4.21Å; Y371-R418 HydrophobicContact CE1-CB 3.65Å; Y371-R418 HydrophobicContact CE1-CG 3.99Å; Y371-R418 HydrophobicContact CE2-CG 4.32Å; Y371-R418 WeakPolarHBondContact OH-CD 3.25Å
372	E	79.4	Confident	57.1	Low	4 Å²	4	60.7 Å²	60.7	2%	0.019	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.2	161.9	170.6	-175.9	173.1	0	0	109	K344 S347 Y349 F416 I417 H419	K344-E372 WeakPolarHBondContact CD-OE1 3.44Å; S347-E372 PolarHBondContact OG-OE1 2.96Å; Y349-E372 HydrophobicContact CD1-CB 3.94Å; Y349-E372 HydrophobicContact CE1-CB 3.61Å; Y349-E372 HydrophobicContact CE1-CG 3.95Å; Y349-E372 HydrophobicContact CE2-CG 4.49Å; Y349-E372 PolarHBondContact OH-OE2 2.95Å; E372-F416 CarbonylContact O-C 3.59Å; E372-F416 WeakPolarHBondContact O-CA 3.34Å; E372-I417 HydrophobicContact CB-CB 4.08Å; E372-I417 PolarHBondContact N-O 3.28Å; E372-I417 PolarHBondContact O-N 3.49Å; E372-H419 VanDerWaalsContact CB-NE2 3.32Å; E372-H419 WeakPolarHBondContact CB-NE2 3.26Å; E372-H419 IonicContact OE2-CE1 3.72Å; E372-H419 IonicContact OE2-NE2 3.99Å; E372-H419 PolarHBondContact OE2-NE2 3.06Å
373	L	74.8	Confident	57.9	Low	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.1	178.7	-64.9	151.9	0	0	0	108.9	S347 T348 T350 I415 F416 P475 V477 I522	S347-L373 WeakPolarHBondContact CA-O 3.18Å; T348-L373 HydrophobicContact CG2-CD1 4.28Å; T348-L373 PolarHBondContact N-O 2.92Å; T348-L373 WeakPolarHBondContact O-CB 3.13Å; T348-L373 PolarHBondContact O-N 2.89Å; T350-L373 HydrophobicContact CG2-CD1 3.47Å; T350-L373 VanDerWaalsContact CG2-CD1 3.47Å; T350-L373 HydrophobicContact CG2-CG 4.39Å; L373-I415 WeakPolarHBondContact CA-O 3.09Å; L373-F416 HydrophobicContact CD2-CD1 3.16Å; L373-F416 HydrophobicContact CD2-CD2 4.49Å; L373-F416 HydrophobicContact CD2-CE1 3.19Å; L373-F416 HydrophobicContact CD2-CE2 4.48Å; L373-F416 HydrophobicContact CD2-CG 3.87Å; L373-F416 HydrophobicContact CD2-CZ 3.88Å; L373-F416 HydrophobicContact CG-CD1 4.44Å; L373-P475 HydrophobicContact CB-CG 3.52Å; L373-V477 HydrophobicContact CD1-CG2 3.33Å; L373-I522 HydrophobicContact CD2-CD1 4.18Å; L373-I522 HydrophobicContact CD2-CG2 4.31Å
374	R	74.2	Confident	58.6	Low	83 Å²	83	48.6 Å²	48.6	31%	0.313	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	149.5	179.6	-171.7	174.7	178.9	-161.7	2.2	111.5	G414 I415	R374-G414 CarbonylContact O-C 3.55Å; R374-G414 WeakPolarHBondContact O-CA 3.37Å; R374-I415 PolarHBondContact N-O 3.27Å; R374-I415 PolarHBondContact O-N 2.9Å
375	I	67.7	Low	59	Low	8 Å²	8	47 Å²	47	4%	0.041	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.8	168.4	-43.6	177.3	0	0	0	108.4	Q413 E467 F524 L525	I375-Q413 WeakPolarHBondContact CA-O 3.32Å; I375-E467 WeakPolarHBondContact CB-OE1 3.18Å; I375-E467 VanDerWaalsContact CG2-OE1 3.3Å; I375-E467 WeakPolarHBondContact CG2-OE1 2.97Å; I375-E467 WeakPolarHBondContact CG2-OE2 3.14Å; I375-F524 HydrophobicContact CD1-CB 3.91Å; I375-F524 HydrophobicContact CD1-CD1 4.03Å; I375-F524 HydrophobicContact CD1-CG 4.49Å; I375-F524 HydrophobicContact CG1-CB 4.48Å; I375-F524 HydrophobicContact CG1-CD1 3.75Å; I375-L525 VanDerWaalsContact CD1-O 3.28Å; I375-L525 WeakPolarHBondContact CD1-O 3.32Å
376	A	64.1	Low	59.5	Low	28 Å²	28	46.4 Å²	46.4	23%	0.231	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.4	169.6	0	0	0	0	0	109	Q413 I415	A376-Q413 PolarHBondContact N-O 3.4Å; A376-Q413 WeakPolarHBondContact O-CA 3.3Å; A376-Q413 WeakPolarHBondContact O-CB 3.39Å; A376-Q413 PolarHBondContact O-N 3.29Å; A376-I415 HydrophobicContact CB-CD1 3.79Å; A376-I415 HydrophobicContact CB-CG1 4.43Å
377	S	57.7	Low	59.6	Low	31 Å²	31	48 Å²	48	22%	0.217	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131	170	59.3	0	0	0	0	110.8	E467	S377-E467 PolarHBondContact OG-N 2.02Å
378	E	56.8	Low	59.5	Low	82 Å²	82	49.8 Å²	49.8	38%	0.383	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	142.8	168.8	-157.3	-177.3	165.2	0	0	108.4	T380 K390 D411 Q413	E378-T380 HydrophobicContact CB-CG2 4.49Å; E378-K390 IonicContact OE1-NZ 3.01Å; E378-K390 IonicContact OE2-NZ 2.78Å; E378-K390 PolarHBondContact OE2-NZ 2.98Å; E378-D411 PolarHBondContact N-O 2.99Å; E378-D411 PolarHBondContact O-N 3.42Å; E378-Q413 HydrophobicContact CB-CG 4.37Å; E378-Q413 PolarHBondContact OE2-NE2 3.08Å; E378-Q413 PolarHBondContact OE2-OE1 2.82Å
379	I	52.8	Low	58.7	Low	80 Å²	80	53 Å²	53	41%	0.41	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	124.9	169.5	-61.6	170.5	0	0	0	106.6	H408	I379-H408 HydrophobicContact CG2-CB 3.68Å
380	T	50	Low	57.8	Low	19 Å²	19	56.5 Å²	56.5	12%	0.117	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140	178.5	61.4	0	0	0	0	111.5	E378 S382 T409 D411	E378-T380 HydrophobicContact CB-CG2 4.49Å; T380-S382 PolarHBondContact O-N 2.73Å; T380-S382 PolarHBondContact OG1-O 3.38Å; T380-T409 PolarHBondContact N-O 3.27Å; T380-T409 PolarHBondContact O-N 2.98Å; T380-T409 VanDerWaalsContact O-O 3.09Å; T380-T409 PolarHBondContact O-OG1 2.77Å; T380-D411 HydrophobicContact CG2-CB 4.29Å
381	D	47.2	Very low	56.1	Low	133 Å²	133	60.6 Å²	60.6	71%	0.711	33%	0.331	S	S	*	.	S	Bend	trans	-72.1	-18.4	179.4	-63.1	-21	0	0	0	113.1	H408	D381-H408 IonicContact OD1-CE1 3.48Å; D381-H408 PolarHBondContact OD1-CE1 3.46Å; D381-H408 IonicContact OD1-CG 3.29Å; D381-H408 IonicContact OD1-ND1 2.99Å; D381-H408 PolarHBondContact OD1-ND1 3.2Å
382	S	51.4	Low	54.5	Low	79 Å²	79	62.6 Å²	62.6	55%	0.552	35%	0.346	S	S	*	.	S	Bend	trans	-142.7	127.8	177.1	52.5	0	0	0	0	110.4	T380 S384	T380-S382 PolarHBondContact O-N 2.73Å; T380-S382 PolarHBondContact OG1-O 3.38Å; S382-S384 PolarHBondContact O-N 3.35Å; S382-S384 VanDerWaalsContact O-N 3.13Å
383	P	50.3	Low	52.3	Low	67 Å²	67	67.4 Å²	67.4	44%	0.435	38%	0.378	S	S	.	.			trans	-68.2	114	175.5	28.2	-32.5	0	0	0	108.1	T409 L448	P383-T409 HydrophobicContact CB-CG2 4.42Å; P383-T409 WeakPolarHBondContact CD-OG1 3.33Å; P383-T409 HydrophobicContact CG-CG2 4.24Å; P383-L448 HydrophobicContact CB-CD2 3.86Å; P383-L448 HydrophobicContact CB-CG 4.36Å
384	S	48.7	Very low	50.5	Low	19 Å²	19	72.7 Å²	72.7	13%	0.133	41%	0.405	C	S	.	.			trans	-103.9	123.8	173.7	56.9	0	0	0	0	109.9	S382 K388 H446	S382-S384 PolarHBondContact O-N 3.35Å; S382-S384 VanDerWaalsContact O-N 3.13Å; S384-K388 WeakPolarHBondContact OG-CE 3.35Å; S384-K388 PolarHBondContact OG-NZ 3.15Å; S384-H446 WeakPolarHBondContact O-CB 3.34Å
385	N	47	Very low	48.6	Very low	130 Å²	130	72.6 Å²	72.6	70%	0.695	42%	0.417	S	S	*	.			trans	-88.7	134.5	172.2	-69.7	-7.2	0	0	0	109.6
386	G	49.2	Very low	47	Very low	27 Å²	27	79.6 Å²	79.6	28%	0.278	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	117.3	178.1	169.6	0	0	0	0	0	115.1	H446	G386-H446 PolarHBondContact O-N 2.81Å
387	L	45.8	Very low	45.5	Very low	72 Å²	72	85.7 Å²	85.7	38%	0.377	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	123.3	176.8	-166.7	90	0	0	0	110
388	K	52.5	Low	44.4	Very low	98 Å²	98	90.3 Å²	90.3	43%	0.426	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.3	169.3	-72.4	-179.9	173.4	173.9	0	109.3	S384 S443 T444	S384-K388 WeakPolarHBondContact OG-CE 3.35Å; S384-K388 PolarHBondContact OG-NZ 3.15Å; K388-S443 CarbonylContact O-C 3.53Å; K388-S443 WeakPolarHBondContact O-CA 3.38Å; K388-T444 PolarHBondContact N-O 2.87Å; K388-T444 PolarHBondContact O-N 2.89Å; K388-T444 PolarHBondContact O-OG1 2.82Å; K388-T444 VanDerWaalsContact O-OG1 3.09Å
389	I	47.2	Very low	43.1	Very low	122 Å²	122	93.7 Å²	93.7	63%	0.626	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	114.8	170.3	-58.6	172.5	0	0	0	106.4
390	K	47.2	Very low	42.3	Very low	79 Å²	79	93.1 Å²	93.1	34%	0.343	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135	173.6	-91.6	-173.2	177.5	-178.7	0	108.7	E378 S442 T444	E378-K390 IonicContact OE1-NZ 3.01Å; E378-K390 IonicContact OE2-NZ 2.78Å; E378-K390 PolarHBondContact OE2-NZ 2.98Å; K390-S442 PolarHBondContact N-O 2.92Å; K390-S442 PolarHBondContact O-OG 2.76Å; K390-T444 HydrophobicContact CB-CG2 4.4Å; K390-T444 HydrophobicContact CD-CG2 4.34Å
391	V	39.8	Very low	41.5	Very low	92 Å²	92	96.7 Å²	96.7	56%	0.558	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-91.2	116	161.3	-177.5	0	0	0	0	105.9
392	P	40.5	Very low	41	Very low	62 Å²	62	98.5 Å²	98.5	40%	0.403	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-69.9	132.8	-176.4	27.1	-32.2	0	0	0	110.3
393	P	33.1	Very low	40	Very low	105 Å²	105	103 Å²	103	68%	0.682	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-71.7	146.2	167	29.4	-30.8	0	0	0	110.2	S395	P393-S395 PolarHBondContact O-N 2.77Å
394	I	36.4	Very low	39.4	Very low	111 Å²	111	102.7 Å²	102.7	57%	0.569	57%	0.574	S	S	*	*	S	Bend	trans	-62.1	0.3	-168.6	-74.8	172.4	0	0	0	115.9	E436 M437	I394-E436 HydrophobicContact CD1-CB 3.57Å; I394-E436 HydrophobicContact CD1-CG 3.82Å; I394-M437 HydrophobicContact CD1-CB 4.47Å
395	S	34.3	Very low	38.8	Very low	80 Å²	80	107 Å²	107	56%	0.559	60%	0.596	S	S	*	*			trans	-112.3	98.8	177.9	64.1	0	0	0	0	112.3	P393 H397	P393-S395 PolarHBondContact O-N 2.77Å; S395-H397 PolarHBondContact O-N 3.06Å
396	D	34.7	Very low	38.4	Very low	155 Å²	155	105 Å²	105	83%	0.829	58%	0.581	S	S	*	*			trans	-68.3	55.6	156.8	-95.8	-12.6	0	0	0	110.2
397	H	33	Very low	38	Very low	156 Å²	156	107.2 Å²	107.2	72%	0.722	59%	0.592	S	S	*	*			trans	-113.9	85.2	163.7	-81.2	-42.4	0	0	0	108.1	S395 N399	S395-H397 PolarHBondContact O-N 3.06Å; H397-N399 PolarHBondContact O-N 3.09Å
398	V	35.1	Very low	37.9	Very low	129 Å²	129	107.2 Å²	107.2	78%	0.782	59%	0.59	S	S	*	*			trans	-67.8	87.9	162	-177.8	0	0	0	0	107	S400	V398-S400 PolarHBondContact O-N 3.14Å
399	N	28.6	Very low	37.6	Very low	152 Å²	152	104.2 Å²	104.2	81%	0.813	58%	0.58	S	S	*	*			trans	-71.3	83.5	157.4	-81.6	-14.1	0	0	0	106.6	H397 S401	H397-N399 PolarHBondContact O-N 3.09Å; N399-S401 PolarHBondContact O-N 2.58Å
400	S	36.9	Very low	37.8	Very low	68 Å²	68	99.9 Å²	99.9	48%	0.476	56%	0.559	S	S	.	*			trans	-61.8	109.3	161.4	55.6	0	0	0	0	106.5	V398 L402	V398-S400 PolarHBondContact O-N 3.14Å; S400-L402 PolarHBondContact O-N 2.89Å; S400-L402 VanDerWaalsContact O-N 3.14Å
401	S	32.1	Very low	38.2	Very low	94 Å²	94	96.1 Å²	96.1	66%	0.657	54%	0.543	S	S	*	.			trans	-53.9	122.8	163.8	46	0	0	0	0	107.5	N399 E403	N399-S401 PolarHBondContact O-N 2.58Å; S401-E403 PolarHBondContact O-N 2.92Å; S401-E403 VanDerWaalsContact O-N 3.09Å
402	L	36.2	Very low	39.2	Very low	171 Å²	171	92.3 Å²	92.3	90%	0.895	52%	0.52	S	S	*	.	S	Bend	trans	-67.8	0.2	176.4	-114.1	104.9	0	0	0	112.7	S400	S400-L402 PolarHBondContact O-N 2.89Å; S400-L402 VanDerWaalsContact O-N 3.14Å
403	E	32.4	Very low	40.2	Very low	174 Å²	174	89.8 Å²	89.8	81%	0.813	50%	0.503	S	S	*	.			trans	-93.4	111.1	179.8	-74.4	-173.6	161.2	0	0	110.7	S401 D405	S401-E403 PolarHBondContact O-N 2.92Å; S401-E403 VanDerWaalsContact O-N 3.09Å; E403-D405 PolarHBondContact O-N 3.05Å
404	S	35.7	Very low	41.7	Very low	61 Å²	61	84.9 Å²	84.9	43%	0.427	47%	0.472	S	S	.	.			trans	-74.5	100.2	179.7	82.9	0	0	0	0	109	S463	S404-S463 WeakPolarHBondContact CA-OG 3.22Å; S404-S463 WeakPolarHBondContact CB-O 3.43Å; S404-S463 WeakPolarHBondContact CB-OG 3.25Å; S404-S463 PolarHBondContact O-OG 2.93Å; S404-S463 PolarHBondContact OG-OG 3.18Å
405	D	37.2	Very low	43.1	Very low	108 Å²	108	81.4 Å²	81.4	58%	0.578	45%	0.454	S	S	*	.			trans	-108.6	141.8	165.1	-161.4	4	0	0	0	110.1	E403 S407 S463	E403-D405 PolarHBondContact O-N 3.05Å; D405-S407 VanDerWaalsContact C-N 3.31Å; D405-S407 PolarHBondContact OD2-OG 3.24Å; D405-S463 PolarHBondContact N-OG 3.24Å; D405-S463 PolarHBondContact O-OG 2.94Å
406	F	38.8	Very low	44.7	Very low	90 Å²	90	78 Å²	78	40%	0.395	43%	0.429	S	S	.	.	S	Bend	trans	-91.6	6.8	-179.2	-79.4	-83.6	0	0	0	113	H408 G461 R462	F406-H408 PolarHBondContact O-N 3.08Å; F406-G461 VanDerWaalsContact CE2-C 3.43Å; F406-R462 VanDerWaalsContact CE2-C 3.49Å; F406-R462 WeakPolarHBondContact CZ-O 3.42Å
407	S	41.4	Very low	46.2	Very low	72 Å²	72	72 Å²	72	50%	0.503	40%	0.396	S	S	.	.	S	Bend	trans	-72.2	-9.6	-179.3	45.5	0	0	0	0	113.6	D405	D405-S407 VanDerWaalsContact C-N 3.31Å; D405-S407 PolarHBondContact OD2-OG 3.24Å
408	H	42.6	Very low	47.8	Very low	73 Å²	73	65.5 Å²	65.5	34%	0.338	37%	0.366	S	S	.	.	S	Bend	trans	-119	141.4	-171	-51.6	-80.3	0	0	0	113	I379 D381 F406	I379-H408 HydrophobicContact CG2-CB 3.68Å; D381-H408 IonicContact OD1-CE1 3.48Å; D381-H408 PolarHBondContact OD1-CE1 3.46Å; D381-H408 IonicContact OD1-CG 3.29Å; D381-H408 IonicContact OD1-ND1 2.99Å; D381-H408 PolarHBondContact OD1-ND1 3.2Å; F406-H408 PolarHBondContact O-N 3.08Å
409	T	46.6	Very low	49.3	Very low	34 Å²	34	61.7 Å²	61.7	21%	0.209	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	135.2	171.4	46.9	0	0	0	0	110	T380 P383 L448 F452	T380-T409 PolarHBondContact N-O 3.27Å; T380-T409 PolarHBondContact O-N 2.98Å; T380-T409 VanDerWaalsContact O-O 3.09Å; T380-T409 PolarHBondContact O-OG1 2.77Å; P383-T409 HydrophobicContact CB-CG2 4.42Å; P383-T409 WeakPolarHBondContact CD-OG1 3.33Å; P383-T409 HydrophobicContact CG-CG2 4.24Å; T409-L448 HydrophobicContact CG2-CD2 4.43Å; T409-F452 HydrophobicContact CG2-CE2 4.43Å
410	V	52.1	Low	50.7	Low	32 Å²	32	60.2 Å²	60.2	19%	0.194	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	122.2	173.4	-174.5	0	0	0	0	109.6	W465	V410-W465 VanDerWaalsContact CG1-O 3.3Å; V410-W465 WeakPolarHBondContact CG1-O 3.29Å; V410-W465 WeakPolarHBondContact CG2-O 3.18Å
411	D	54.4	Low	51.3	Low	0 Å²	0	60 Å²	60	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128	-175.6	-150.5	6.5	0	0	0	109.3	E378 T380 H446 G447 L448	E378-D411 PolarHBondContact N-O 2.99Å; E378-D411 PolarHBondContact O-N 3.42Å; T380-D411 HydrophobicContact CG2-CB 4.29Å; D411-H446 VanDerWaalsContact OD2-CB 3.3Å; D411-H446 WeakPolarHBondContact OD2-CB 3.42Å; D411-H446 IonicContact OD2-CG 2.73Å; D411-H446 IonicContact OD2-ND1 3.27Å; D411-H446 PolarHBondContact OD2-ND1 2.85Å; D411-G447 WeakPolarHBondContact OD1-CA 3.38Å; D411-G447 PolarHBondContact OD1-N 3.15Å; D411-G447 VanDerWaalsContact OD1-O 3.12Å; D411-L448 PolarHBondContact OD1-N 3.44Å; D411-L448 VanDerWaalsContact OD1-N 3.1Å
412	C	60.5	Low	51.8	Low	11 Å²	11	58.9 Å²	58.9	7%	0.074	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	120.8	176.6	-80.4	0	0	0	0	106.7	G447 C449 T526	C412-G447 PolarHBondContact N-O 3.49Å; C412-G447 VanDerWaalsContact N-O 3.12Å; C412-G447 PolarHBondContact O-N 3.05Å; C412-C449 WeakPolarHBondContact CA-SG 3.3Å; C412-C449 HydrophobicContact CB-CB 4.18Å; C412-C449 WeakPolarHBondContact CB-SG 3.42Å; C412-C449 PolarHBondContact N-SG 3.48Å; C412-C449 WeakPolarHBondContact SG-CB 3.1Å; C412-C449 CovalentContact SG-SG 2.02Å; C412-C449 PolarHBondContact SG-SG 2.84Å; C412-T526 HydrophobicContact CB-CG2 4.04Å; C412-T526 VanDerWaalsContact SG-CG2 3.53Å
413	Q	62.9	Low	51.9	Low	9 Å²	9	55.6 Å²	55.6	4%	0.042	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.8	-177.4	-61	-171.5	1.6	0	0	110.6	I375 A376 E378 I415 Y445 H446	I375-Q413 WeakPolarHBondContact CA-O 3.32Å; A376-Q413 PolarHBondContact N-O 3.4Å; A376-Q413 WeakPolarHBondContact O-CA 3.3Å; A376-Q413 WeakPolarHBondContact O-CB 3.39Å; A376-Q413 PolarHBondContact O-N 3.29Å; E378-Q413 HydrophobicContact CB-CG 4.37Å; E378-Q413 PolarHBondContact OE2-NE2 3.08Å; E378-Q413 PolarHBondContact OE2-OE1 2.82Å; Q413-I415 HydrophobicContact CB-CG1 4.48Å; Q413-I415 PolarHBondContact O-N 3.3Å; Q413-Y445 WeakPolarHBondContact CA-O 3.46Å; Q413-H446 PolarHBondContact NE2-CE1 3.08Å
414	G	63.6	Low	52	Low	3 Å²	3	50.4 Å²	50.4	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	107.7	161.5	0	0	0	0	0	108.6	R374 F416 T444 Y445	R374-G414 CarbonylContact O-C 3.55Å; R374-G414 WeakPolarHBondContact O-CA 3.37Å; G414-F416 WeakPolarHBondContact O-CD2 3.29Å; G414-T444 CarbonylContact O-C 3.59Å; G414-T444 WeakPolarHBondContact O-CA 3.43Å; G414-Y445 PolarHBondContact N-O 3.39Å; G414-Y445 PolarHBondContact O-N 2.66Å
415	I	65.1	Low	51.9	Low	38 Å²	38	54.2 Å²	54.2	20%	0.195	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.3	177.3	-49.2	176.5	0	0	0	108.5	L373 R374 A376 Q413 I417	L373-I415 WeakPolarHBondContact CA-O 3.09Å; R374-I415 PolarHBondContact N-O 3.27Å; R374-I415 PolarHBondContact O-N 2.9Å; A376-I415 HydrophobicContact CB-CD1 3.79Å; A376-I415 HydrophobicContact CB-CG1 4.43Å; Q413-I415 HydrophobicContact CB-CG1 4.48Å; Q413-I415 PolarHBondContact O-N 3.3Å; I415-I417 HydrophobicContact CG2-CD1 4.1Å; I415-I417 HydrophobicContact CG2-CG1 3.64Å
416	F	68.2	Low	51.8	Low	9 Å²	9	61.1 Å²	61.1	4%	0.039	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	106.9	174.8	-63.8	-112	0	0	0	108.2	Y371 E372 L373 G414 S442 S443 I522 F524	Y371-F416 HydrophobicContact CD1-CB 4.33Å; E372-F416 CarbonylContact O-C 3.59Å; E372-F416 WeakPolarHBondContact O-CA 3.34Å; L373-F416 HydrophobicContact CD2-CD1 3.16Å; L373-F416 HydrophobicContact CD2-CD2 4.49Å; L373-F416 HydrophobicContact CD2-CE1 3.19Å; L373-F416 HydrophobicContact CD2-CE2 4.48Å; L373-F416 HydrophobicContact CD2-CG 3.87Å; L373-F416 HydrophobicContact CD2-CZ 3.88Å; L373-F416 HydrophobicContact CG-CD1 4.44Å; G414-F416 WeakPolarHBondContact O-CD2 3.29Å; F416-S442 WeakPolarHBondContact O-CA 3.08Å; F416-S443 WeakPolarHBondContact CB-O 3.45Å; F416-S443 VanDerWaalsContact CB-OG 3.27Å; F416-S443 WeakPolarHBondContact CB-OG 3.31Å; F416-S443 VanDerWaalsContact CD2-O 3.3Å; F416-S443 WeakPolarHBondContact CD2-O 3.31Å; F416-S443 PolarHBondContact N-O 3.31Å; F416-S443 PolarHBondContact O-N 2.96Å; F416-S443 VanDerWaalsContact O-N 3.12Å; F416-I522 HydrophobicContact CD1-CD1 4.48Å; F416-I522 HydrophobicContact CE1-CD1 3.36Å; F416-I522 HydrophobicContact CZ-CD1 3.87Å; F416-F524 HydrophobicContact CE2-CZ 4.05Å; F416-F524 HydrophobicContact CZ-CE2 4.5Å; F416-F524 AromaticContact CZ-CZ 3.85Å; F416-F524 HydrophobicContact CZ-CZ 3.85Å
417	I	67.3	Low	51.3	Low	28 Å²	28	65.4 Å²	65.4	14%	0.144	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	113.3	-176.8	-61.2	176.9	0	0	0	107.3	Y371 E372 I415 I440	Y371-I417 CarbonylContact C-O 3.56Å; Y371-I417 WeakPolarHBondContact CA-O 3.08Å; E372-I417 HydrophobicContact CB-CB 4.08Å; E372-I417 PolarHBondContact N-O 3.28Å; E372-I417 PolarHBondContact O-N 3.49Å; I415-I417 HydrophobicContact CG2-CD1 4.1Å; I415-I417 HydrophobicContact CG2-CG1 3.64Å; I417-I440 HydrophobicContact CB-CG2 4.34Å; I417-I440 HydrophobicContact CG2-CD1 4.49Å; I417-I440 HydrophobicContact CG2-CG2 3.52Å
418	R	66.3	Low	50.9	Low	19 Å²	19	64.9 Å²	64.9	7%	0.072	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	126.4	174.7	-168.3	178.1	-175.6	-142.8	-14.4	110.2	T369 Y371 E420	T369-R418 PolarHBondContact OG1-NE 2.88Å; T369-R418 VanDerWaalsContact OG1-NE 3.1Å; Y371-R418 HydrophobicContact CD1-CB 4.21Å; Y371-R418 HydrophobicContact CE1-CB 3.65Å; Y371-R418 HydrophobicContact CE1-CG 3.99Å; Y371-R418 HydrophobicContact CE2-CG 4.32Å; Y371-R418 WeakPolarHBondContact OH-CD 3.25Å; R418-E420 HydrophobicContact CG-CG 4.44Å; R418-E420 IonicContact CZ-OE1 2.96Å; R418-E420 IonicContact NE-OE1 2.78Å; R418-E420 IonicContact NH1-OE1 3.6Å; R418-E420 PolarHBondContact NH1-OE1 3.09Å; R418-E420 IonicContact NH2-OE1 3.48Å; R418-E420 PolarHBondContact NH2-OE1 2.88Å
419	H	66.8	Low	50.5	Low	49 Å²	49	66.7 Å²	66.7	23%	0.227	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	111.2	171.7	-71.6	-84.8	0	0	0	109	L341 Y349 I370 E372	L341-H419 HydrophobicContact CD2-CB 4.24Å; Y349-H419 AromaticContact CE1-NE2 3.99Å; I370-H419 HydrophobicContact CB-CB 4.36Å; I370-H419 HydrophobicContact CG2-CB 4.48Å; I370-H419 PolarHBondContact O-N 3.27Å; E372-H419 VanDerWaalsContact CB-NE2 3.32Å; E372-H419 WeakPolarHBondContact CB-NE2 3.26Å; E372-H419 IonicContact OE2-CE1 3.72Å; E372-H419 IonicContact OE2-NE2 3.99Å; E372-H419 PolarHBondContact OE2-NE2 3.06Å
420	E	58.4	Low	49.7	Very low	121 Å²	121	71.6 Å²	71.6	57%	0.565	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-99.9	129.9	170.4	-70.5	-170.9	160.4	0	0	109.8	R418	R418-E420 HydrophobicContact CG-CG 4.44Å; R418-E420 IonicContact CZ-OE1 2.96Å; R418-E420 IonicContact NE-OE1 2.78Å; R418-E420 IonicContact NH1-OE1 3.6Å; R418-E420 PolarHBondContact NH1-OE1 3.09Å; R418-E420 IonicContact NH2-OE1 3.48Å; R418-E420 PolarHBondContact NH2-OE1 2.88Å
421	S	49.3	Very low	48.9	Very low	65 Å²	65	71 Å²	71	46%	0.455	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-84.2	122.1	170.1	85.8	0	0	0	0	110	W271	W271-S421 PolarHBondContact NE1-OG 3.01Å
422	A	41.6	Very low	48.1	Very low	69 Å²	69	81 Å²	81	57%	0.57	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-91.2	129.7	164.1	0	0	0	0	0	109.3	N424	A422-N424 VanDerWaalsContact C-N 3.32Å; A422-N424 PolarHBondContact O-N 3.29Å
423	P	38.5	Very low	47	Very low	103 Å²	103	88.8 Å²	88.8	67%	0.669	45%	0.445	S	S	*	.	S	Bend	trans	-73.6	-11.4	-168.6	24.7	-31.7	0	0	0	115.6
424	N	35.4	Very low	45.7	Very low	64 Å²	64	90.9 Å²	90.9	34%	0.342	46%	0.461	S	S	.	.	S	Bend	trans	-144.8	112.8	-176.1	-74.2	-37.4	0	0	0	109.4	A422	A422-N424 VanDerWaalsContact C-N 3.32Å; A422-N424 PolarHBondContact O-N 3.29Å
425	N	33.2	Very low	44.2	Very low	142 Å²	142	97.3 Å²	97.3	76%	0.759	49%	0.494	S	S	*	.	S	Bend	trans	35.3	101.2	167.8	-90.2	-9.7	0	0	0	116.9	E427	N425-E427 PolarHBondContact O-N 2.65Å
426	W	36	Very low	42.6	Very low	252 Å²	252	101.7 Å²	101.7	96%	0.955	51%	0.514	S	S	*	.			trans	2.7	59.3	147.8	-59.3	57.7	0	0	0	117.7
427	E	28.2	Very low	40.9	Very low	180 Å²	180	107.5 Å²	107.5	84%	0.841	54%	0.543	S	S	*	.			trans	-105.4	109.5	151.7	-80.8	-167.1	169.6	0	0	106	N425 V429	N425-E427 PolarHBondContact O-N 2.65Å; E427-V429 PolarHBondContact O-N 3.19Å
428	I	31.5	Very low	39.3	Very low	62 Å²	62	110.6 Å²	110.6	32%	0.318	56%	0.559	S	S	.	*			trans	-58.4	122.7	-171.9	-66.9	157.1	0	0	0	108.7	K430 M437 I438	I428-K430 PolarHBondContact O-N 3.11Å; I428-M437 HydrophobicContact CD1-CB 3.94Å; I428-M437 HydrophobicContact CD1-CE 3.74Å; I428-M437 HydrophobicContact CD1-CG 3.51Å; I428-M437 HydrophobicContact CD1-SD 3.25Å; I428-M437 WeakPolarHBondContact CD1-SD 3.27Å; I428-M437 HydrophobicContact CG2-CB 4.2Å; I428-M437 HydrophobicContact CG2-CG 4.37Å; I428-I438 HydrophobicContact CD1-CG1 4.38Å; I428-I438 HydrophobicContact CG1-CG1 4.25Å; I428-I438 HydrophobicContact CG2-CB 4.46Å; I428-I438 HydrophobicContact CG2-CG1 3.8Å
429	V	34.6	Very low	37.8	Very low	111 Å²	111	113 Å²	113	67%	0.673	57%	0.571	S	S	*	*			trans	-59	102.3	169.7	-179.8	0	0	0	0	107	E427 S431	E427-V429 PolarHBondContact O-N 3.19Å; V429-S431 PolarHBondContact O-N 3.33Å
430	K	30.7	Very low	36.7	Very low	137 Å²	137	113.4 Å²	113.4	60%	0.596	57%	0.574	S	S	*	*			trans	-66.3	124.3	169.3	-68.5	-178.3	177.5	-174.1	0	107	I428	I428-K430 PolarHBondContact O-N 3.11Å
431	S	34.9	Very low	36.3	Very low	18 Å²	18	111 Å²	111	13%	0.126	56%	0.563	C	S	.	*			trans	-67.8	152.5	167.6	78.3	0	0	0	0	109.9	V429 H433 S434 E439	V429-S431 PolarHBondContact O-N 3.33Å; S431-H433 PolarHBondContact O-N 3.27Å; S431-S434 PolarHBondContact OG-N 2.9Å; S431-E439 WeakPolarHBondContact CB-OE1 3.3Å; S431-E439 WeakPolarHBondContact CB-OE2 3.35Å; S431-E439 PolarHBondContact OG-OE1 3.48Å
432	F	37.4	Very low	36.3	Very low	210 Å²	210	108.3 Å²	108.3	92%	0.921	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-6.1	178	-92.4	-90.4	0	0	0	113.5
433	H	37.4	Very low	36.8	Very low	176 Å²	176	106.2 Å²	106.2	82%	0.815	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	-4.7	-170	-70.4	-9.3	0	0	0	115.5	S431	S431-H433 PolarHBondContact O-N 3.27Å
434	S	34.6	Very low	37.6	Very low	52 Å²	52	101.5 Å²	101.5	36%	0.364	50%	0.495	S	S	.	.			trans	-154.6	146.4	166.2	76.6	0	0	0	0	113	S431 E436	S431-S434 PolarHBondContact OG-N 2.9Å; S434-E436 PolarHBondContact O-N 2.85Å
435	N	33.8	Very low	38.5	Very low	138 Å²	138	98.9 Å²	98.9	74%	0.738	48%	0.48	S	S	*	.	S	Bend	trans	-80.3	6.4	175.6	-97.4	-29.6	0	0	0	113
436	E	31.5	Very low	39.5	Very low	131 Å²	131	92.3 Å²	92.3	61%	0.612	45%	0.445	S	S	*	.	S	Bend	trans	-95.9	140.9	-178.5	-86.3	-174.4	-170.2	0	0	110.9	I394 S434	I394-E436 HydrophobicContact CD1-CB 3.57Å; I394-E436 HydrophobicContact CD1-CG 3.82Å; S434-E436 PolarHBondContact O-N 2.85Å
437	M	31.1	Very low	40.2	Very low	130 Å²	130	80.4 Å²	80.4	64%	0.64	40%	0.4	S	S	*	.	S	Bend	trans	-66	127.9	-166	-75.4	-173.7	174	0	0	112.9	I394 I428	I394-M437 HydrophobicContact CD1-CB 4.47Å; I428-M437 HydrophobicContact CD1-CB 3.94Å; I428-M437 HydrophobicContact CD1-CE 3.74Å; I428-M437 HydrophobicContact CD1-CG 3.51Å; I428-M437 HydrophobicContact CD1-SD 3.25Å; I428-M437 WeakPolarHBondContact CD1-SD 3.27Å; I428-M437 HydrophobicContact CG2-CB 4.2Å; I428-M437 HydrophobicContact CG2-CG 4.37Å
438	I	34	Very low	41.2	Very low	93 Å²	93	73.5 Å²	73.5	48%	0.477	37%	0.369	S	S	.	.			trans	75.3	95.1	164	-36.9	166	0	0	0	115.3	I428 I440	I428-I438 HydrophobicContact CD1-CG1 4.38Å; I428-I438 HydrophobicContact CG1-CG1 4.25Å; I428-I438 HydrophobicContact CG2-CB 4.46Å; I428-I438 HydrophobicContact CG2-CG1 3.8Å; I438-I440 HydrophobicContact CB-CG1 4.23Å; I438-I440 HydrophobicContact CG2-CB 4.43Å; I438-I440 HydrophobicContact CG2-CD1 4.11Å; I438-I440 HydrophobicContact CG2-CG1 3.29Å; I438-I440 PolarHBondContact O-N 3.5Å
439	E	35.1	Very low	42.1	Very low	71 Å²	71	71.6 Å²	71.6	33%	0.332	36%	0.361	S	S	.	.			trans	-70.7	77.3	153.3	-90.6	-177.6	-168.7	0	0	109.2	S431 H441	S431-E439 WeakPolarHBondContact CB-OE1 3.3Å; S431-E439 WeakPolarHBondContact CB-OE2 3.35Å; S431-E439 PolarHBondContact OG-OE1 3.48Å; E439-H441 VanDerWaalsContact C-N 3.32Å; E439-H441 PolarHBondContact O-N 3.09Å; E439-H441 VanDerWaalsContact O-N 3.1Å; E439-H441 IonicContact OE2-CE1 3.7Å; E439-H441 PolarHBondContact OE2-CE1 3.01Å; E439-H441 IonicContact OE2-NE2 2.87Å
440	I	44.1	Very low	42.9	Very low	56 Å²	56	70.5 Å²	70.5	29%	0.287	34%	0.344	S	S	.	.			trans	-68.8	102	154	-55.1	-173.9	0	0	0	104.1	I417 I438 S442	I417-I440 HydrophobicContact CB-CG2 4.34Å; I417-I440 HydrophobicContact CG2-CD1 4.49Å; I417-I440 HydrophobicContact CG2-CG2 3.52Å; I438-I440 HydrophobicContact CB-CG1 4.23Å; I438-I440 HydrophobicContact CG2-CB 4.43Å; I438-I440 HydrophobicContact CG2-CD1 4.11Å; I438-I440 HydrophobicContact CG2-CG1 3.29Å; I438-I440 PolarHBondContact O-N 3.5Å; I440-S442 VanDerWaalsContact C-N 3.26Å; I440-S442 PolarHBondContact O-N 2.81Å
441	H	49.3	Very low	43.7	Very low	71 Å²	71	67.5 Å²	67.5	33%	0.329	34%	0.339	S	S	.	.			trans	-61.5	96.3	169.7	-68.9	-58.5	0	0	0	107.8	E439	E439-H441 VanDerWaalsContact C-N 3.32Å; E439-H441 PolarHBondContact O-N 3.09Å; E439-H441 VanDerWaalsContact O-N 3.1Å; E439-H441 IonicContact OE2-CE1 3.7Å; E439-H441 PolarHBondContact OE2-CE1 3.01Å; E439-H441 IonicContact OE2-NE2 2.87Å
442	S	48.8	Very low	44.2	Very low	9 Å²	9	72.5 Å²	72.5	6%	0.063	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	120.6	175.8	78.4	0	0	0	0	109.4	K390 F416 I440	K390-S442 PolarHBondContact N-O 2.92Å; K390-S442 PolarHBondContact O-OG 2.76Å; F416-S442 WeakPolarHBondContact O-CA 3.08Å; I440-S442 VanDerWaalsContact C-N 3.26Å; I440-S442 PolarHBondContact O-N 2.81Å
443	S	52.8	Low	44.4	Very low	25 Å²	25	71.2 Å²	71.2	18%	0.175	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	134.2	166	59.1	0	0	0	0	108.3	K388 F416	K388-S443 CarbonylContact O-C 3.53Å; K388-S443 WeakPolarHBondContact O-CA 3.38Å; F416-S443 WeakPolarHBondContact CB-O 3.45Å; F416-S443 VanDerWaalsContact CB-OG 3.27Å; F416-S443 WeakPolarHBondContact CB-OG 3.31Å; F416-S443 VanDerWaalsContact CD2-O 3.3Å; F416-S443 WeakPolarHBondContact CD2-O 3.31Å; F416-S443 PolarHBondContact N-O 3.31Å; F416-S443 PolarHBondContact O-N 2.96Å; F416-S443 VanDerWaalsContact O-N 3.12Å
444	T	55.4	Low	44.7	Very low	4 Å²	4	70.4 Å²	70.4	3%	0.025	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	116.4	177.6	51	0	0	0	0	107.7	K388 K390 G414 H446	K388-T444 PolarHBondContact N-O 2.87Å; K388-T444 PolarHBondContact O-N 2.89Å; K388-T444 PolarHBondContact O-OG1 2.82Å; K388-T444 VanDerWaalsContact O-OG1 3.09Å; K390-T444 HydrophobicContact CB-CG2 4.4Å; K390-T444 HydrophobicContact CD-CG2 4.34Å; G414-T444 CarbonylContact O-C 3.59Å; G414-T444 WeakPolarHBondContact O-CA 3.43Å; T444-H446 PolarHBondContact OG1-NE2 2.87Å
445	Y	53.8	Low	45.2	Very low	8 Å²	8	78.9 Å²	78.9	3%	0.031	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	121.6	166.8	174	-95.9	0	0	0	108.5	Q413 G414 V534 E540	Q413-Y445 WeakPolarHBondContact CA-O 3.46Å; G414-Y445 PolarHBondContact N-O 3.39Å; G414-Y445 PolarHBondContact O-N 2.66Å; Y445-V534 HydrophobicContact CD1-CG2 3.84Å; Y445-V534 HydrophobicContact CD2-CB 4.48Å; Y445-V534 HydrophobicContact CD2-CG1 3.64Å; Y445-V534 HydrophobicContact CD2-CG2 3.95Å; Y445-V534 HydrophobicContact CE1-CG2 3.56Å; Y445-V534 HydrophobicContact CE2-CB 4.46Å; Y445-V534 HydrophobicContact CE2-CG1 3.84Å; Y445-V534 HydrophobicContact CE2-CG2 3.7Å; Y445-V534 HydrophobicContact CG-CG1 4.15Å; Y445-V534 HydrophobicContact CG-CG2 4.02Å; Y445-V534 VanDerWaalsContact CZ-CG2 3.49Å; Y445-E540 HydrophobicContact CE2-CB 4.4Å; Y445-E540 WeakPolarHBondContact OH-CG 3.31Å; Y445-E540 PolarHBondContact OH-OE2 3Å
446	H	54.6	Low	45.5	Very low	5 Å²	5	75.8 Å²	75.8	2%	0.023	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	129.3	175.4	-75	-98.6	0	0	0	110	S384 G386 D411 Q413 T444	S384-H446 WeakPolarHBondContact O-CB 3.34Å; G386-H446 PolarHBondContact O-N 2.81Å; D411-H446 VanDerWaalsContact OD2-CB 3.3Å; D411-H446 WeakPolarHBondContact OD2-CB 3.42Å; D411-H446 IonicContact OD2-CG 2.73Å; D411-H446 IonicContact OD2-ND1 3.27Å; D411-H446 PolarHBondContact OD2-ND1 2.85Å; Q413-H446 PolarHBondContact NE2-CE1 3.08Å; T444-H446 PolarHBondContact OG1-NE2 2.87Å
447	G	51.2	Low	46	Very low	2 Å²	2	79.7 Å²	79.7	2%	0.021	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	127.8	172.1	0	0	0	0	0	111.6	D411 C412 C449 R543	D411-G447 WeakPolarHBondContact OD1-CA 3.38Å; D411-G447 PolarHBondContact OD1-N 3.15Å; D411-G447 VanDerWaalsContact OD1-O 3.12Å; C412-G447 PolarHBondContact N-O 3.49Å; C412-G447 VanDerWaalsContact N-O 3.12Å; C412-G447 PolarHBondContact O-N 3.05Å; G447-C449 PolarHBondContact O-N 2.79Å; G447-R543 PolarHBondContact O-NH2 2.74Å
448	L	48.5	Very low	46.4	Very low	34 Å²	34	76.8 Å²	76.8	18%	0.178	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.3	122.2	179.4	-75.1	168.5	0	0	0	112	P383 T409 D411 R450 F452 R543	P383-L448 HydrophobicContact CB-CD2 3.86Å; P383-L448 HydrophobicContact CB-CG 4.36Å; T409-L448 HydrophobicContact CG2-CD2 4.43Å; D411-L448 PolarHBondContact OD1-N 3.44Å; D411-L448 VanDerWaalsContact OD1-N 3.1Å; L448-R450 PolarHBondContact O-N 3.05Å; L448-F452 HydrophobicContact CD2-CE2 4.25Å; L448-R543 PolarHBondContact O-NH1 3.49Å; L448-R543 VanDerWaalsContact O-NH1 3.08Å; L448-R543 PolarHBondContact O-NH2 2.91Å
449	C	51.6	Low	46.4	Very low	22 Å²	22	83.5 Å²	83.5	15%	0.149	37%	0.374	C	S	.	.	S	Bend	trans	-65.6	3.5	175.5	-49.4	0	0	0	0	112.9	C412 G447 I530	C412-C449 WeakPolarHBondContact CA-SG 3.3Å; C412-C449 HydrophobicContact CB-CB 4.18Å; C412-C449 WeakPolarHBondContact CB-SG 3.42Å; C412-C449 PolarHBondContact N-SG 3.48Å; C412-C449 WeakPolarHBondContact SG-CB 3.1Å; C412-C449 CovalentContact SG-SG 2.02Å; C412-C449 PolarHBondContact SG-SG 2.84Å; G447-C449 PolarHBondContact O-N 2.79Å; C449-I530 VanDerWaalsContact O-CD1 3.27Å; C449-I530 WeakPolarHBondContact O-CD1 3.14Å
450	R	50.1	Low	46.4	Very low	88 Å²	88	88 Å²	88	33%	0.332	40%	0.4	S	S	.	.	S	Bend	trans	-157.5	127	176.8	-157.5	175.9	172.9	-176.4	-5.2	110.8	L448 F452 E456	L448-R450 PolarHBondContact O-N 3.05Å; R450-F452 PolarHBondContact O-N 3.46Å; R450-F452 VanDerWaalsContact O-N 3.15Å; R450-E456 IonicContact CZ-OE2 3.17Å; R450-E456 IonicContact NE-OE2 3.94Å; R450-E456 IonicContact NH2-OE2 3.78Å; R450-E456 PolarHBondContact NH2-OE2 2.78Å
451	P	47.1	Very low	45.8	Very low	74 Å²	74	88.3 Å²	88.3	48%	0.481	42%	0.416	S	S	.	.			trans	-72	106.7	165.9	29.2	-31.2	0	0	0	107.8	R453 I530	P451-R453 PolarHBondContact O-N 2.5Å; P451-I530 VanDerWaalsContact CD-CD1 3.45Å
452	F	45.6	Very low	45.2	Very low	123 Å²	123	93.7 Å²	93.7	54%	0.539	43%	0.434	S	S	.	.			trans	-67.8	121.3	174.5	-64.1	-78.3	0	0	0	109.8	T409 L448 R450	T409-F452 HydrophobicContact CG2-CE2 4.43Å; L448-F452 HydrophobicContact CD2-CE2 4.25Å; R450-F452 PolarHBondContact O-N 3.46Å; R450-F452 VanDerWaalsContact O-N 3.15Å
453	R	41.4	Very low	44.7	Very low	184 Å²	184	94.2 Å²	94.2	69%	0.694	44%	0.437	S	S	*	.			trans	-81.8	141.6	156.5	-66.6	-176.9	176.7	-171.6	0.9	107.6	P451 W455 E456	P451-R453 PolarHBondContact O-N 2.5Å; R453-W455 PolarHBondContact O-N 2.94Å; R453-E456 HydrophobicContact CB-CG 4.17Å; R453-E456 PolarHBondContact O-N 3.32Å
454	M	44.7	Very low	44.2	Very low	159 Å²	159	98.6 Å²	98.6	78%	0.783	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-23.1	-176.8	-170.7	-180	-91.3	0	0	114
455	W	44.7	Very low	44	Very low	230 Å²	230	102.5 Å²	102.5	87%	0.871	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-2.3	-177.4	-47.9	101.1	0	0	0	114.8	R453	R453-W455 PolarHBondContact O-N 2.94Å
456	E	41	Very low	44	Very low	73 Å²	73	106.3 Å²	106.3	34%	0.341	49%	0.491	S	S	.	.			trans	-95.5	14.8	-176.4	-73.5	-176.2	-155.1	0	0	114.1	R450 R453 S458	R450-E456 IonicContact CZ-OE2 3.17Å; R450-E456 IonicContact NE-OE2 3.94Å; R450-E456 IonicContact NH2-OE2 3.78Å; R450-E456 PolarHBondContact NH2-OE2 2.78Å; R453-E456 HydrophobicContact CB-CG 4.17Å; R453-E456 PolarHBondContact O-N 3.32Å; E456-S458 PolarHBondContact O-N 3.38Å
457	Y	40.8	Very low	44.4	Very low	213 Å²	213	106.7 Å²	106.7	84%	0.835	49%	0.493	S	S	*	.			trans	-55.3	104.9	165	-92.6	-82.5	0	0	0	108.9	R459	Y457-R459 PolarHBondContact O-N 2.96Å
458	S	40.1	Very low	45.1	Very low	69 Å²	69	107.2 Å²	107.2	48%	0.483	50%	0.495	S	S	.	.			trans	-67	101.4	178.5	47.9	0	0	0	0	108.9	E456 L460	E456-S458 PolarHBondContact O-N 3.38Å; S458-L460 PolarHBondContact O-N 3.39Å
459	R	32.8	Very low	45.8	Very low	233 Å²	233	110.1 Å²	110.1	88%	0.879	52%	0.518	S	S	*	.			trans	-48.3	128.5	152.6	-71.7	176.5	169.5	174.8	-3.6	107.6	Y457	Y457-R459 PolarHBondContact O-N 2.96Å
460	L	35.6	Very low	46.4	Very low	167 Å²	167	115.3 Å²	115.3	87%	0.874	53%	0.534	S	S	*	.	S	Bend	trans	96.8	75.2	169	-51.6	158.9	0	0	0	117.6	S458 R462	S458-L460 PolarHBondContact O-N 3.39Å; L460-R462 PolarHBondContact O-N 2.87Å
461	G	32.7	Very low	47.4	Very low	61 Å²	61	112.6 Å²	112.6	63%	0.629	53%	0.525	S	S	*	.				68	12.6	111.8	0	0	0	0	0	122.6	F406	F406-G461 VanDerWaalsContact CE2-C 3.43Å
462	R	35.8	Very low	48.5	Very low	185 Å²	185	110.3 Å²	110.3	70%	0.698	51%	0.511	S	S	*	.			trans	-139.5	118.3	161.5	-64.1	-171.9	177.9	-170.7	-3	115.8	F406 L460 W465	F406-R462 VanDerWaalsContact CE2-C 3.49Å; F406-R462 WeakPolarHBondContact CZ-O 3.42Å; L460-R462 PolarHBondContact O-N 2.87Å; R462-W465 PolarHBondContact O-NE1 2.92Å; R462-W465 VanDerWaalsContact O-NE1 3.08Å
463	S	38.4	Very low	49.9	Very low	19 Å²	19	104.5 Å²	104.5	13%	0.133	49%	0.486	C	S	.	.			trans	-108.9	87.8	-177.9	39	0	0	0	0	114.1	S404 D405	S404-S463 WeakPolarHBondContact CA-OG 3.22Å; S404-S463 WeakPolarHBondContact CB-O 3.43Å; S404-S463 WeakPolarHBondContact CB-OG 3.25Å; S404-S463 PolarHBondContact O-OG 2.93Å; S404-S463 PolarHBondContact OG-OG 3.18Å; D405-S463 PolarHBondContact N-OG 3.24Å; D405-S463 PolarHBondContact O-OG 2.94Å
464	N	41.3	Very low	51.5	Low	117 Å²	117	95.8 Å²	95.8	63%	0.626	45%	0.453	S	S	*	.			trans	-126.1	49.7	166.3	-70	-1.3	0	0	0	110.6	Q466	N464-Q466 PolarHBondContact O-N 3.38Å
465	W	51.8	Low	53.2	Low	86 Å²	86	88.2 Å²	88.2	33%	0.326	42%	0.416	S	S	.	.			trans	-94.1	64.4	-172.8	-56.4	77	0	0	0	110.8	V410 R462 R555	V410-W465 VanDerWaalsContact CG1-O 3.3Å; V410-W465 WeakPolarHBondContact CG1-O 3.29Å; V410-W465 WeakPolarHBondContact CG2-O 3.18Å; R462-W465 PolarHBondContact O-NE1 2.92Å; R462-W465 VanDerWaalsContact O-NE1 3.08Å; W465-R555 VanDerWaalsContact CH2-CZ 3.42Å
466	Q	54.3	Low	55	Low	88 Å²	88	77.5 Å²	77.5	41%	0.411	38%	0.375	S	S	.	.			trans	-104	154.2	173.2	-71.7	175.7	-14.8	0	0	109.6	N464 D468	N464-Q466 PolarHBondContact O-N 3.38Å; Q466-D468 PolarHBondContact O-N 3.13Å
467	E	63.6	Low	56.8	Low	14 Å²	14	74.3 Å²	74.3	7%	0.065	36%	0.361	C	S	.	.			trans	-55.5	138.5	167.9	-176.6	-175.4	-169.8	0	0	108.2	I375 S377 S469	I375-E467 WeakPolarHBondContact CB-OE1 3.18Å; I375-E467 VanDerWaalsContact CG2-OE1 3.3Å; I375-E467 WeakPolarHBondContact CG2-OE1 2.97Å; I375-E467 WeakPolarHBondContact CG2-OE2 3.14Å; S377-E467 PolarHBondContact OG-N 2.02Å; E467-S469 VanDerWaalsContact C-N 3.35Å; E467-S469 PolarHBondContact O-N 2.78Å
468	D	64.5	Low	58.6	Low	12 Å²	12	65.4 Å²	65.4	6%	0.064	33%	0.329	C	S	.	.			trans	-70.2	97.1	174.1	-173.5	10.8	0	0	0	109.9	Q466 R470 K471 S554 Y577	Q466-D468 PolarHBondContact O-N 3.13Å; D468-R470 PolarHBondContact O-N 2.98Å; D468-R470 VanDerWaalsContact OD1-CB 3.26Å; D468-R470 WeakPolarHBondContact OD1-CB 3.33Å; D468-R470 PolarHBondContact OD1-N 2.98Å; D468-R470 IonicContact OD1-NE 3.66Å; D468-K471 CarbonylContact O-C 3.57Å; D468-K471 VanDerWaalsContact O-C 3.24Å; D468-K471 PolarHBondContact O-N 2.77Å; D468-S554 WeakPolarHBondContact OD2-CB 3.33Å; D468-Y577 WeakPolarHBondContact OD2-CE1 3.44Å; D468-Y577 VanDerWaalsContact OD2-CZ 3.32Å; D468-Y577 PolarHBondContact OD2-OH 3.15Å
469	S	62.8	Low	60.2	Low	95 Å²	95	66.1 Å²	66.1	66%	0.664	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.6	177.3	63	0	0	0	0	113.2	E467 K471	E467-S469 VanDerWaalsContact C-N 3.35Å; E467-S469 PolarHBondContact O-N 2.78Å; S469-K471 VanDerWaalsContact C-N 3.33Å
470	R	65.2	Low	61.8	Low	131 Å²	131	59.6 Å²	59.6	49%	0.494	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-23.9	174.6	-61.4	-179.6	-101.5	-170.3	-12.5	112.6	D468	D468-R470 PolarHBondContact O-N 2.98Å; D468-R470 VanDerWaalsContact OD1-CB 3.26Å; D468-R470 WeakPolarHBondContact OD1-CB 3.33Å; D468-R470 PolarHBondContact OD1-N 2.98Å; D468-R470 IonicContact OD1-NE 3.66Å
471	K	70.9	Confident	62.6	Low	32 Å²	32	58.3 Å²	58.3	14%	0.139	29%	0.288	C	S	.	.	S	Bend	trans	-140.4	75	-173.4	-64.4	-67.5	179	167	0	109.9	D468 S469 W550 Y577 I578 F581 P583	D468-K471 CarbonylContact O-C 3.57Å; D468-K471 VanDerWaalsContact O-C 3.24Å; D468-K471 PolarHBondContact O-N 2.77Å; S469-K471 VanDerWaalsContact C-N 3.33Å; K471-W550 WeakPolarHBondContact O-CZ2 3.32Å; K471-W550 PolarHBondContact O-NE1 3.06Å; K471-Y577 WeakPolarHBondContact CE-O 3.24Å; K471-Y577 HydrophobicContact CG-CE1 3.78Å; K471-Y577 PolarHBondContact NZ-O 3.5Å; K471-I578 PolarHBondContact NZ-O 3.14Å; K471-F581 PolarHBondContact NZ-O 3.24Å; K471-P583 HydrophobicContact CB-CG 4.27Å
472	S	69.9	Low	63.3	Low	26 Å²	26	60.3 Å²	60.3	18%	0.182	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-95.6	146.5	169.1	64.1	0	0	0	0	111
473	T	75.6	Confident	63.5	Low	1 Å²	1	55.8 Å²	55.8	1%	0.006	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-96.5	130.7	172	53.3	0	0	0	0	110.2	L525 W550 P583	T473-L525 HydrophobicContact CG2-CD2 4.03Å; T473-L525 WeakPolarHBondContact OG1-CB 3.48Å; T473-L525 PolarHBondContact OG1-O 2.68Å; T473-L525 VanDerWaalsContact OG1-O 3.14Å; T473-W550 HydrophobicContact CG2-CH2 3.95Å; T473-W550 HydrophobicContact CG2-CZ2 4.44Å; T473-P583 VanDerWaalsContact CG2-C 3.49Å; T473-P583 HydrophobicContact CG2-CB 3.58Å; T473-P583 HydrophobicContact CG2-CG 3.82Å; T473-P583 WeakPolarHBondContact CG2-O 3.2Å
474	P	75.9	Confident	63.2	Low	1 Å²	1	59.9 Å²	59.9	1%	0.006	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-62	131.9	177.4	25	-32	0	0	0	109.8	R285 Y287 G346 T348	R285-P474 HydrophobicContact CB-CB 4.41Å; R285-P474 HydrophobicContact CB-CG 4.32Å; R285-P474 HydrophobicContact CG-CB 4.49Å; Y287-P474 HydrophobicContact CD1-CG 3.65Å; Y287-P474 HydrophobicContact CD2-CG 4.47Å; Y287-P474 VanDerWaalsContact CE1-CD 3.47Å; Y287-P474 HydrophobicContact CE1-CG 3.25Å; Y287-P474 HydrophobicContact CE2-CG 4.16Å; Y287-P474 HydrophobicContact CG-CG 4.26Å; G346-P474 WeakPolarHBondContact O-CA 3.35Å; T348-P474 WeakPolarHBondContact OG1-CB 3.46Å
475	P	80	Confident	63.1	Low	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-64.1	150.3	-177	23	-30.3	0	0	0	111.4	T348 L373 I522 Y523 F524	T348-P475 VanDerWaalsContact CB-O 3.31Å; T348-P475 WeakPolarHBondContact CB-O 3.35Å; T348-P475 WeakPolarHBondContact CG2-O 3.25Å; T348-P475 WeakPolarHBondContact OG1-CD 3.34Å; T348-P475 PolarHBondContact OG1-O 3.23Å; L373-P475 HydrophobicContact CB-CG 3.52Å; P475-I522 HydrophobicContact CB-CG2 4.44Å; P475-Y523 CarbonylContact C-O 3.53Å; P475-Y523 VanDerWaalsContact CA-O 3.29Å; P475-Y523 WeakPolarHBondContact CA-O 3.36Å; P475-Y523 WeakPolarHBondContact CB-O 3.39Å; P475-F524 HydrophobicContact CB-CD1 3.69Å; P475-F524 HydrophobicContact CB-CE1 3.83Å; P475-F524 HydrophobicContact CG-CD1 4.38Å; P475-F524 HydrophobicContact CG-CE1 4.23Å
476	V	81.7	Confident	62.5	Low	4 Å²	4	56.3 Å²	56.3	2%	0.024	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.3	-178.5	-179.2	0	0	0	0	109.2	V478 Y523 L585 A587	V476-V478 HydrophobicContact CG1-CG2 3.87Å; V476-Y523 HydrophobicContact CB-CD2 4.36Å; V476-Y523 HydrophobicContact CG1-CD2 4.45Å; V476-Y523 PolarHBondContact N-O 2.87Å; V476-Y523 VanDerWaalsContact O-CD2 3.32Å; V476-Y523 WeakPolarHBondContact O-CD2 3.34Å; V476-Y523 PolarHBondContact O-N 3.29Å; V476-L585 HydrophobicContact CB-CD2 4.29Å; V476-L585 HydrophobicContact CG2-CB 4.09Å; V476-L585 HydrophobicContact CG2-CD2 3.84Å; V476-L585 HydrophobicContact CG2-CG 3.72Å; V476-L585 VanDerWaalsContact CG2-O 3.26Å; V476-L585 WeakPolarHBondContact CG2-O 3.47Å; V476-A587 HydrophobicContact CG1-CB 3.58Å
477	V	79.3	Confident	61.9	Low	7 Å²	7	58.3 Å²	58.3	4%	0.042	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.6	174.2	-175.4	0	0	0	0	108.3	P283 T348 T350 L373 H520 I522	P283-V477 HydrophobicContact CB-CB 4.01Å; P283-V477 HydrophobicContact CB-CG2 4.46Å; P283-V477 HydrophobicContact CG-CB 4.07Å; P283-V477 WeakPolarHBondContact CG-O 3.34Å; T348-V477 HydrophobicContact CG2-CG2 4.28Å; T350-V477 HydrophobicContact CG2-CG2 4.08Å; L373-V477 HydrophobicContact CD1-CG2 3.33Å; V477-H520 HydrophobicContact CG1-CB 4.13Å; V477-I522 HydrophobicContact CG1-CG1 4.38Å; V477-I522 HydrophobicContact CG2-CG1 4.28Å; V477-I522 HydrophobicContact CG2-CG2 4.36Å
478	V	78.6	Confident	60.9	Low	25 Å²	25	59.3 Å²	59.3	15%	0.152	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	135.9	175.4	-169.7	0	0	0	0	109.1	V476 R480 H520 D521 Y523 A587	V476-V478 HydrophobicContact CG1-CG2 3.87Å; V478-R480 PolarHBondContact O-N 2.94Å; V478-H520 WeakPolarHBondContact O-CA 3.36Å; V478-D521 PolarHBondContact N-O 2.83Å; V478-D521 PolarHBondContact O-N 3.21Å; V478-Y523 HydrophobicContact CB-CE2 4.11Å; V478-Y523 HydrophobicContact CG2-CD2 4.22Å; V478-Y523 HydrophobicContact CG2-CE2 3.8Å; V478-A587 HydrophobicContact CG2-CB 3.59Å
479	K	73.4	Confident	59.8	Low	85 Å²	85	66.7 Å²	66.7	37%	0.37	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	125	169.8	-169.5	167.1	-178.7	168	0	109.1	H481 E518	K479-H481 PolarHBondContact O-N 2.78Å; K479-E518 IonicContact NZ-OE1 2.69Å; K479-E518 PolarHBondContact NZ-OE1 3.08Å
480	R	66.1	Low	58.9	Low	95 Å²	95	66.7 Å²	66.7	36%	0.358	35%	0.346	S	S	.	.			trans	-71.9	103.2	-177.6	-170.9	177	-172.6	147.6	-8.1	108.9	V478 I482 H519 D521 N541	V478-R480 PolarHBondContact O-N 2.94Å; R480-I482 HydrophobicContact CG-CG1 4.39Å; R480-I482 PolarHBondContact O-N 2.95Å; R480-H519 HydrophobicContact CB-CB 4.1Å; R480-H519 VanDerWaalsContact CB-O 3.24Å; R480-H519 WeakPolarHBondContact CB-O 3.43Å; R480-H519 PolarHBondContact N-O 3.45Å; R480-D521 WeakPolarHBondContact CD-OD1 3.37Å; R480-D521 WeakPolarHBondContact CD-OD2 3.39Å; R480-D521 WeakPolarHBondContact CG-OD2 3.4Å; R480-D521 IonicContact CZ-OD1 3.81Å; R480-D521 IonicContact CZ-OD2 3.99Å; R480-D521 IonicContact NE-OD1 3.97Å; R480-D521 IonicContact NE-OD2 3.73Å; R480-D521 IonicContact NH1-OD1 3Å; R480-D521 PolarHBondContact NH1-OD1 3.31Å; R480-D521 IonicContact NH1-OD2 3.85Å; R480-N541 VanDerWaalsContact NH1-CG 3.3Å; R480-N541 PolarHBondContact NH1-ND2 2.86Å; R480-N541 PolarHBondContact NH1-OD1 2.97Å
481	H	52.9	Low	57.9	Low	140 Å²	140	68.2 Å²	68.2	65%	0.648	35%	0.352	S	S	*	.			trans	-79.4	102	163.3	-72.5	-54.7	0	0	0	107.7	K479 P483	K479-H481 PolarHBondContact O-N 2.78Å; H481-P483 WeakPolarHBondContact O-CD 3.13Å; H481-P483 VanDerWaalsContact O-N 3.11Å
482	I	47.8	Very low	56.5	Low	103 Å²	103	74.7 Å²	74.7	53%	0.528	38%	0.377	S	S	.	.			trans	-64.9	107.2	170	-57.1	165.8	0	0	0	106.2	R480 L484	R480-I482 HydrophobicContact CG-CG1 4.39Å; R480-I482 PolarHBondContact O-N 2.95Å; I482-L484 VanDerWaalsContact C-N 3.29Å; I482-L484 HydrophobicContact CG2-CD1 4.03Å; I482-L484 HydrophobicContact CG2-CG 4.06Å; I482-L484 PolarHBondContact O-N 3.35Å
483	P	40.4	Very low	55.4	Low	91 Å²	91	76.9 Å²	76.9	59%	0.591	39%	0.392	S	S	*	.			trans	-78.9	91.8	174.2	23.4	-8.9	0	0	0	105.7	H481 S485 T631	H481-P483 WeakPolarHBondContact O-CD 3.13Å; H481-P483 VanDerWaalsContact O-N 3.11Å; P483-S485 PolarHBondContact O-N 2.72Å; P483-T631 HydrophobicContact CG-CG2 4.16Å
484	L	32.2	Very low	54	Low	105 Å²	105	82 Å²	82	55%	0.55	42%	0.419	S	S	.	.			trans	-67.6	80.5	169	-83.4	127.2	0	0	0	108.5	I482 G486 R489	I482-L484 VanDerWaalsContact C-N 3.29Å; I482-L484 HydrophobicContact CG2-CD1 4.03Å; I482-L484 HydrophobicContact CG2-CG 4.06Å; I482-L484 PolarHBondContact O-N 3.35Å; L484-G486 PolarHBondContact O-N 3.47Å; L484-R489 HydrophobicContact CD2-CB 4.01Å; L484-R489 HydrophobicContact CD2-CG 3.57Å
485	S	38.8	Very low	52.6	Low	71 Å²	71	87.7 Å²	87.7	50%	0.497	45%	0.447	S	S	.	.			trans	-62.8	132.8	161.4	65.3	0	0	0	0	107.9	P483 L487 A488 R489	P483-S485 PolarHBondContact O-N 2.72Å; S485-L487 PolarHBondContact O-N 2.84Å; S485-A488 PolarHBondContact O-N 3.3Å; S485-A488 VanDerWaalsContact OG-CB 3.29Å; S485-A488 WeakPolarHBondContact OG-CB 3.16Å; S485-R489 PolarHBondContact O-N 2.87Å; S485-R489 VanDerWaalsContact O-N 3.11Å
486	G	38.4	Very low	50.8	Low	57 Å²	57	94 Å²	94	59%	0.588	48%	0.476	S	S	*	.	H	α-helix	trans	-56.6	-27.3	-171.8	0	0	0	0	0	114.3	L484 L490	L484-G486 PolarHBondContact O-N 3.47Å; G486-L490 PolarHBondContact O-N 2.87Å
487	L	42.9	Very low	48.8	Very low	129 Å²	129	100.7 Å²	100.7	68%	0.675	51%	0.512	S	S	*	.	H	α-helix	trans	-78.5	-36.5	175.2	-81.1	167.3	0	0	0	113.5	S485 R489 L490 W491	S485-L487 PolarHBondContact O-N 2.84Å; L487-R489 VanDerWaalsContact C-N 3.27Å; L487-R489 PolarHBondContact O-N 2.81Å; L487-L490 PolarHBondContact O-N 2.79Å; L487-W491 PolarHBondContact O-N 2.81Å
488	A	42.2	Very low	46.7	Very low	35 Å²	35	109.8 Å²	109.8	29%	0.289	55%	0.551	S	S	.	*	H	α-helix	trans	-63.5	-39.4	172.6	0	0	0	0	0	110.2	S485 L490 W491 Y492	S485-A488 PolarHBondContact O-N 3.3Å; S485-A488 VanDerWaalsContact OG-CB 3.29Å; S485-A488 WeakPolarHBondContact OG-CB 3.16Å; A488-L490 VanDerWaalsContact C-N 3.32Å; A488-L490 PolarHBondContact O-N 3.2Å; A488-W491 PolarHBondContact O-N 3.04Å; A488-Y492 WeakPolarHBondContact O-CB 3.26Å; A488-Y492 VanDerWaalsContact O-CD2 3.24Å; A488-Y492 WeakPolarHBondContact O-CD2 3.49Å; A488-Y492 PolarHBondContact O-N 2.72Å
489	R	41.2	Very low	44.4	Very low	168 Å²	168	112.5 Å²	112.5	63%	0.634	57%	0.571	S	S	*	*	H	α-helix	trans	-61.1	-40.1	175.3	-155.7	175.5	-175.9	171.4	-1.1	112.5	L484 S485 L487 S493	L484-R489 HydrophobicContact CD2-CB 4.01Å; L484-R489 HydrophobicContact CD2-CG 3.57Å; S485-R489 PolarHBondContact O-N 2.87Å; S485-R489 VanDerWaalsContact O-N 3.11Å; L487-R489 VanDerWaalsContact C-N 3.27Å; L487-R489 PolarHBondContact O-N 2.81Å; R489-S493 WeakPolarHBondContact O-CB 3.14Å; R489-S493 PolarHBondContact O-N 2.67Å
490	L	43.6	Very low	42.5	Very low	95 Å²	95	114.6 Å²	114.6	50%	0.497	59%	0.586	S	S	.	*	H	α-helix	trans	-67.9	-40.5	174.3	-117	156.3	0	0	0	112.3	G486 L487 A488 S493 L494	G486-L490 PolarHBondContact O-N 2.87Å; L487-L490 PolarHBondContact O-N 2.79Å; A488-L490 VanDerWaalsContact C-N 3.32Å; A488-L490 PolarHBondContact O-N 3.2Å; L490-S493 PolarHBondContact O-N 2.9Å; L490-S493 PolarHBondContact O-OG 3.4Å; L490-L494 HydrophobicContact CD2-CD1 3.84Å; L490-L494 VanDerWaalsContact O-CB 3.3Å; L490-L494 WeakPolarHBondContact O-CB 3.24Å; L490-L494 WeakPolarHBondContact O-CD1 3.26Å; L490-L494 WeakPolarHBondContact O-CG 3.04Å; L490-L494 PolarHBondContact O-N 3.41Å
491	W	45.2	Very low	40.7	Very low	163 Å²	163	119.3 Å²	119.3	62%	0.617	61%	0.612	S	S	*	*	H	α-helix	trans	-67.9	-42.1	176.6	-110.1	118.9	0	0	0	112.3	L487 A488 L494 M495	L487-W491 PolarHBondContact O-N 2.81Å; A488-W491 PolarHBondContact O-N 3.04Å; W491-L494 PolarHBondContact O-N 2.87Å; W491-M495 HydrophobicContact CE3-CE 4.37Å; W491-M495 HydrophobicContact CE3-CG 3.42Å; W491-M495 VanDerWaalsContact CE3-CG 3.42Å; W491-M495 HydrophobicContact CE3-SD 4.34Å; W491-M495 HydrophobicContact CH2-CE 4.31Å; W491-M495 HydrophobicContact CZ3-CE 3.63Å; W491-M495 HydrophobicContact CZ3-CG 3.4Å; W491-M495 HydrophobicContact CZ3-SD 3.68Å; W491-M495 WeakPolarHBondContact O-CB 3.46Å; W491-M495 PolarHBondContact O-N 2.77Å
492	Y	41.1	Very low	39.6	Very low	167 Å²	167	121.4 Å²	121.4	66%	0.655	62%	0.62	S	S	*	*	H	α-helix	trans	-63.3	-41.3	173.4	-87.8	-74.7	0	0	0	111.4	A488 L494 H496	A488-Y492 WeakPolarHBondContact O-CB 3.26Å; A488-Y492 VanDerWaalsContact O-CD2 3.24Å; A488-Y492 WeakPolarHBondContact O-CD2 3.49Å; A488-Y492 PolarHBondContact O-N 2.72Å; Y492-L494 VanDerWaalsContact C-N 3.35Å; Y492-L494 PolarHBondContact O-N 3.05Å; Y492-H496 PolarHBondContact O-N 3.35Å
493	S	46.1	Very low	38.7	Very low	72 Å²	72	123.8 Å²	123.8	50%	0.503	63%	0.633	S	S	.	*	H	α-helix	trans	-68.2	-32.7	176.1	79.2	0	0	0	0	113	R489 L490	R489-S493 WeakPolarHBondContact O-CB 3.14Å; R489-S493 PolarHBondContact O-N 2.67Å; L490-S493 PolarHBondContact O-N 2.9Å; L490-S493 PolarHBondContact O-OG 3.4Å
494	L	45.5	Very low	38	Very low	110 Å²	110	124.6 Å²	124.6	58%	0.576	64%	0.641	S	S	*	*	H	α-helix	trans	-77	-32.4	178.9	-88.9	156.6	0	0	0	113.5	L490 W491 Y492	L490-L494 HydrophobicContact CD2-CD1 3.84Å; L490-L494 VanDerWaalsContact O-CB 3.3Å; L490-L494 WeakPolarHBondContact O-CB 3.24Å; L490-L494 WeakPolarHBondContact O-CD1 3.26Å; L490-L494 WeakPolarHBondContact O-CG 3.04Å; L490-L494 PolarHBondContact O-N 3.41Å; W491-L494 PolarHBondContact O-N 2.87Å; Y492-L494 VanDerWaalsContact C-N 3.35Å; Y492-L494 PolarHBondContact O-N 3.05Å
495	M	46.4	Very low	37.8	Very low	120 Å²	120	128.2 Å²	128.2	59%	0.591	66%	0.655	S	S	*	*	H	α-helix	trans	-85.7	-26.4	-178.9	-76.6	-71.9	-127.8	0	0	113.6	W491 D497	W491-M495 HydrophobicContact CE3-CE 4.37Å; W491-M495 HydrophobicContact CE3-CG 3.42Å; W491-M495 VanDerWaalsContact CE3-CG 3.42Å; W491-M495 HydrophobicContact CE3-SD 4.34Å; W491-M495 HydrophobicContact CH2-CE 4.31Å; W491-M495 HydrophobicContact CZ3-CE 3.63Å; W491-M495 HydrophobicContact CZ3-CG 3.4Å; W491-M495 HydrophobicContact CZ3-SD 3.68Å; W491-M495 WeakPolarHBondContact O-CB 3.46Å; W491-M495 PolarHBondContact O-N 2.77Å; M495-D497 VanDerWaalsContact C-N 3.33Å
496	H	43.7	Very low	37.3	Very low	133 Å²	133	132.4 Å²	132.4	62%	0.616	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-83.4	-7.3	176.6	-83.1	49.4	0	0	0	113.9	Y492 K498	Y492-H496 PolarHBondContact O-N 3.35Å; H496-K498 PolarHBondContact O-N 3.08Å
497	D	39	Very low	36.9	Very low	143 Å²	143	135.7 Å²	135.7	77%	0.765	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-83.6	6.9	179.3	-142.5	18.9	0	0	0	113.4	M495	M495-D497 VanDerWaalsContact C-N 3.33Å
498	K	35.5	Very low	36.1	Very low	199 Å²	199	137.3 Å²	137.3	87%	0.865	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-132.8	4.6	-174.4	-84.9	-165.8	175.7	-176.8	0	117.4	H496	H496-K498 PolarHBondContact O-N 3.08Å
499	S	30.1	Very low	35.4	Very low	82 Å²	82	144 Å²	144	57%	0.573	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.5	-10.9	-178.7	59.5	0	0	0	0	117.9
500	D	32.5	Very low	34.8	Very low	129 Å²	129	141.9 Å²	141.9	69%	0.69	72%	0.716	S	S	*	*			trans	-134.6	80.3	-178.7	-71.1	-52.9	0	0	0	113.1	F502	D500-F502 PolarHBondContact O-N 3.08Å
501	E	29.9	Very low	34.1	Very low	193 Å²	193	145.6 Å²	145.6	90%	0.902	74%	0.736	S	S	*	*			trans	-83.4	15.2	163.6	-136	175.1	-166.9	0	0	112
502	F	29.1	Very low	33.2	Very low	185 Å²	185	143.3 Å²	143.3	81%	0.811	74%	0.74	S	S	*	*	S	Bend	trans	-130.1	68.2	175.7	-89.6	-87.4	0	0	0	110.5	D500	D500-F502 PolarHBondContact O-N 3.08Å
503	N	28.4	Very low	32.7	Very low	152 Å²	152	144.5 Å²	144.5	81%	0.813	75%	0.751	S	S	*	*			trans	175.1	56.6	149.3	-87.3	-21	0	0	0	110.1	H505	N503-H505 VanDerWaalsContact C-N 3.34Å; N503-H505 PolarHBondContact O-N 3.16Å
504	S	26.2	Very low	31.8	Very low	108 Å²	108	149.2 Å²	149.2	76%	0.755	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	74.5	170.3	61.7	0	0	0	0	109.9
505	H	28.2	Very low	31.2	Very low	182 Å²	182	148.8 Å²	148.8	84%	0.843	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148.2	3.9	164.4	-108.8	-51.4	0	0	0	118.8	N503	N503-H505 VanDerWaalsContact C-N 3.34Å; N503-H505 PolarHBondContact O-N 3.16Å
506	D	28.8	Very low	30.8	Very low	159 Å²	159	150.2 Å²	150.2	85%	0.85	77%	0.773	S	S	*	*	S	Bend	trans	-136	11.5	-179.4	-90	-31.3	0	0	0	117.2
507	V	29.1	Very low	30.9	Very low	126 Å²	126	149.2 Å²	149.2	76%	0.764	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	2.3	-169.4	-175.2	0	0	0	0	115
508	N	26.8	Very low	31.8	Very low	163 Å²	163	145.8 Å²	145.8	87%	0.872	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	16.1	-171.6	-78.5	-20	0	0	0	117
509	Q	26.8	Very low	33.3	Very low	175 Å²	175	140.1 Å²	140.1	82%	0.818	72%	0.724	S	S	*	*	S	Bend	trans	-124.4	-13.2	179.9	-84.9	-176.4	-16.4	0	0	119.4
510	D	28.4	Very low	35.4	Very low	124 Å²	124	137.1 Å²	137.1	66%	0.663	70%	0.701	S	S	*	*			trans	-119.5	37.1	-167.6	-73.4	-13.6	0	0	0	116.7
511	L	30.2	Very low	37.5	Very low	173 Å²	173	131.5 Å²	131.5	91%	0.906	67%	0.671	S	S	*	*	S	Bend	trans	-97.2	7.7	172	-84.4	161.6	0	0	0	114.1
512	T	26.3	Very low	39.9	Very low	114 Å²	114	122.3 Å²	122.3	70%	0.699	63%	0.628	S	S	*	*	S	Bend	trans	-131.1	101	175.1	54.5	0	0	0	0	109.8
513	H	28.8	Very low	42.5	Very low	193 Å²	193	113.6 Å²	113.6	89%	0.894	59%	0.59	S	S	*	*	S	Bend	trans	92	-3	154	-82.3	-74.6	0	0	0	123.6
514	E	27.5	Very low	45	Very low	170 Å²	170	106.7 Å²	106.7	79%	0.794	55%	0.553	S	S	*	*	S	Bend	trans	-129.7	-2.3	-172.9	-96.2	-173.8	169.3	0	0	121.7
515	N	32.7	Very low	47.6	Very low	102 Å²	102	101.5 Å²	101.5	55%	0.545	52%	0.517	S	S	.	.			trans	-144.8	67.3	176.4	-83.2	-41.5	0	0	0	114.2	H517	N515-H517 PolarHBondContact O-N 2.85Å; N515-H517 PolarHBondContact OD1-CE1 2.92Å; N515-H517 PolarHBondContact OD1-NE2 3.33Å
516	D	38.8	Very low	50	Low	149 Å²	149	93.2 Å²	93.2	80%	0.797	48%	0.479	S	S	*	.			trans	-72.2	70.7	153	-104.7	-1.8	0	0	0	107.3	E518	D516-E518 VanDerWaalsContact C-N 3.31Å; D516-E518 PolarHBondContact O-N 3.46Å
517	H	46.6	Very low	52.3	Low	113 Å²	113	85.9 Å²	85.9	52%	0.523	44%	0.44	S	S	.	.			trans	-59.5	103.1	165.9	-74.6	-48.6	0	0	0	106.6	N515 H519	N515-H517 PolarHBondContact O-N 2.85Å; N515-H517 PolarHBondContact OD1-CE1 2.92Å; N515-H517 PolarHBondContact OD1-NE2 3.33Å; H517-H519 PolarHBondContact O-N 2.67Å; H517-H519 PolarHBondContact O-ND1 3.23Å
518	E	57.2	Low	54.6	Low	71 Å²	71	81.5 Å²	81.5	33%	0.332	41%	0.412	S	S	.	.			trans	-64.4	95.8	-171.4	-59.4	-168.1	126.6	0	0	110.2	K479 D516 H520 N536	K479-E518 IonicContact NZ-OE1 2.69Å; K479-E518 PolarHBondContact NZ-OE1 3.08Å; D516-E518 VanDerWaalsContact C-N 3.31Å; D516-E518 PolarHBondContact O-N 3.46Å; E518-H520 VanDerWaalsContact CB-CE1 3.42Å; E518-H520 WeakPolarHBondContact CB-CE1 3.35Å; E518-H520 PolarHBondContact O-N 2.83Å; E518-H520 PolarHBondContact O-ND1 3.44Å; E518-H520 IonicContact OE2-CE1 3.45Å; E518-N536 PolarHBondContact O-ND2 3.38Å
519	H	66.3	Low	57	Low	80 Å²	80	73.8 Å²	73.8	37%	0.37	37%	0.371	S	S	.	.			trans	-69	119.7	176.3	-71.4	20.9	0	0	0	108	R480 H517 H537	R480-H519 HydrophobicContact CB-CB 4.1Å; R480-H519 VanDerWaalsContact CB-O 3.24Å; R480-H519 WeakPolarHBondContact CB-O 3.43Å; R480-H519 PolarHBondContact N-O 3.45Å; H517-H519 PolarHBondContact O-N 2.67Å; H517-H519 PolarHBondContact O-ND1 3.23Å; H519-H537 AromaticContact CE1-NE2 4Å; H519-H537 AromaticContact ND1-NE2 3.99Å
520	H	74.1	Confident	59.6	Low	19 Å²	19	65.6 Å²	65.6	9%	0.088	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.5	175.7	-67.1	82.2	0	0	0	108.7	L352 V477 V478 E518 S535 N536	L352-H520 HydrophobicContact CD2-CB 3.91Å; V477-H520 HydrophobicContact CG1-CB 4.13Å; V478-H520 WeakPolarHBondContact O-CA 3.36Å; E518-H520 VanDerWaalsContact CB-CE1 3.42Å; E518-H520 WeakPolarHBondContact CB-CE1 3.35Å; E518-H520 PolarHBondContact O-N 2.83Å; E518-H520 PolarHBondContact O-ND1 3.44Å; E518-H520 IonicContact OE2-CE1 3.45Å; H520-S535 CarbonylContact O-C 3.49Å; H520-S535 WeakPolarHBondContact O-CA 3.37Å; H520-N536 HydrophobicContact CB-CB 4.17Å; H520-N536 PolarHBondContact N-OD1 2.86Å; H520-N536 PolarHBondContact O-N 2.69Å; H520-N536 PolarHBondContact O-OD1 2.91Å
521	D	78	Confident	62.2	Low	11 Å²	11	59.7 Å²	59.7	6%	0.059	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.6	168.9	-67.9	-27.6	0	0	0	108.6	V478 R480 Y523 N541	V478-D521 PolarHBondContact N-O 2.83Å; V478-D521 PolarHBondContact O-N 3.21Å; R480-D521 WeakPolarHBondContact CD-OD1 3.37Å; R480-D521 WeakPolarHBondContact CD-OD2 3.39Å; R480-D521 WeakPolarHBondContact CG-OD2 3.4Å; R480-D521 IonicContact CZ-OD1 3.81Å; R480-D521 IonicContact CZ-OD2 3.99Å; R480-D521 IonicContact NE-OD1 3.97Å; R480-D521 IonicContact NE-OD2 3.73Å; R480-D521 IonicContact NH1-OD1 3Å; R480-D521 PolarHBondContact NH1-OD1 3.31Å; R480-D521 IonicContact NH1-OD2 3.85Å; D521-Y523 HydrophobicContact CB-CE1 4.32Å; D521-Y523 HydrophobicContact CB-CE2 4.07Å; D521-Y523 VanDerWaalsContact CB-OH 3.24Å; D521-Y523 WeakPolarHBondContact CB-OH 3.41Å; D521-N541 PolarHBondContact OD1-ND2 2.75Å
522	I	79.5	Confident	64.5	Low	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.9	-175.6	-53.7	175.9	0	0	0	107.1	L352 L373 F416 P475 V477 F524 S533 V534	L352-I522 HydrophobicContact CD1-CD1 4.27Å; L373-I522 HydrophobicContact CD2-CD1 4.18Å; L373-I522 HydrophobicContact CD2-CG2 4.31Å; F416-I522 HydrophobicContact CD1-CD1 4.48Å; F416-I522 HydrophobicContact CE1-CD1 3.36Å; F416-I522 HydrophobicContact CZ-CD1 3.87Å; P475-I522 HydrophobicContact CB-CG2 4.44Å; V477-I522 HydrophobicContact CG1-CG1 4.38Å; V477-I522 HydrophobicContact CG2-CG1 4.28Å; V477-I522 HydrophobicContact CG2-CG2 4.36Å; I522-F524 HydrophobicContact CB-CE2 4.33Å; I522-F524 HydrophobicContact CB-CZ 4.45Å; I522-F524 HydrophobicContact CG2-CD2 4.49Å; I522-F524 HydrophobicContact CG2-CE1 4.04Å; I522-F524 HydrophobicContact CG2-CE2 3.76Å; I522-F524 HydrophobicContact CG2-CZ 3.5Å; I522-S533 WeakPolarHBondContact O-CA 3.48Å; I522-V534 PolarHBondContact N-O 3.19Å; I522-V534 PolarHBondContact O-N 2.87Å
523	Y	84	Confident	67.2	Low	2 Å²	2	46.5 Å²	46.5	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.9	-177.2	-53.4	-75.5	0	0	0	110.6	P475 V476 V478 D521 T532 S533 W542 L617 R630	P475-Y523 CarbonylContact C-O 3.53Å; P475-Y523 VanDerWaalsContact CA-O 3.29Å; P475-Y523 WeakPolarHBondContact CA-O 3.36Å; P475-Y523 WeakPolarHBondContact CB-O 3.39Å; V476-Y523 HydrophobicContact CB-CD2 4.36Å; V476-Y523 HydrophobicContact CG1-CD2 4.45Å; V476-Y523 PolarHBondContact N-O 2.87Å; V476-Y523 VanDerWaalsContact O-CD2 3.32Å; V476-Y523 WeakPolarHBondContact O-CD2 3.34Å; V476-Y523 PolarHBondContact O-N 3.29Å; V478-Y523 HydrophobicContact CB-CE2 4.11Å; V478-Y523 HydrophobicContact CG2-CD2 4.22Å; V478-Y523 HydrophobicContact CG2-CE2 3.8Å; D521-Y523 HydrophobicContact CB-CE1 4.32Å; D521-Y523 HydrophobicContact CB-CE2 4.07Å; D521-Y523 VanDerWaalsContact CB-OH 3.24Å; D521-Y523 WeakPolarHBondContact CB-OH 3.41Å; Y523-T532 VanDerWaalsContact CA-O 3.23Å; Y523-T532 WeakPolarHBondContact CA-O 3.42Å; Y523-S533 VanDerWaalsContact CE1-CB 3.47Å; Y523-S533 WeakPolarHBondContact CE1-OG 3.44Å; Y523-W542 AromaticContact CD1-CH2 3.93Å; Y523-W542 HydrophobicContact CD1-CH2 3.93Å; Y523-W542 AromaticContact CD1-CZ2 3.87Å; Y523-W542 HydrophobicContact CD1-CZ2 3.87Å; Y523-W542 AromaticContact CE1-CH2 3.99Å; Y523-W542 HydrophobicContact CE1-CH2 3.99Å; Y523-W542 AromaticContact CE1-CZ2 3.44Å; Y523-W542 HydrophobicContact CE1-CZ2 3.44Å; Y523-W542 VanDerWaalsContact CE1-CZ2 3.44Å; Y523-L617 HydrophobicContact CD1-CD1 3.42Å; Y523-L617 VanDerWaalsContact CD1-CD1 3.42Å; Y523-L617 HydrophobicContact CD2-CD1 4.08Å; Y523-L617 HydrophobicContact CD2-CD2 3.85Å; Y523-L617 HydrophobicContact CE1-CD1 3.7Å; Y523-L617 HydrophobicContact CE2-CD1 4.32Å; Y523-L617 HydrophobicContact CE2-CD2 4.41Å; Y523-L617 HydrophobicContact CG-CD1 3.63Å; Y523-L617 HydrophobicContact CG-CD2 3.96Å; Y523-L617 HydrophobicContact CG-CG 4.44Å; Y523-R630 HydrophobicContact CE1-CG 4.12Å; Y523-R630 HydrophobicContact CE2-CG 3.86Å; Y523-R630 WeakPolarHBondContact OH-CD 3.2Å; Y523-R630 WeakPolarHBondContact OH-CG 3.09Å
524	F	80.7	Confident	69.4	Low	6 Å²	6	37.3 Å²	37.3	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	140.2	174.1	-54.3	-82.5	0	0	0	109.3	I375 F416 P475 I522 I531 T532 V534	I375-F524 HydrophobicContact CD1-CB 3.91Å; I375-F524 HydrophobicContact CD1-CD1 4.03Å; I375-F524 HydrophobicContact CD1-CG 4.49Å; I375-F524 HydrophobicContact CG1-CB 4.48Å; I375-F524 HydrophobicContact CG1-CD1 3.75Å; F416-F524 HydrophobicContact CE2-CZ 4.05Å; F416-F524 HydrophobicContact CZ-CE2 4.5Å; F416-F524 AromaticContact CZ-CZ 3.85Å; F416-F524 HydrophobicContact CZ-CZ 3.85Å; P475-F524 HydrophobicContact CB-CD1 3.69Å; P475-F524 HydrophobicContact CB-CE1 3.83Å; P475-F524 HydrophobicContact CG-CD1 4.38Å; P475-F524 HydrophobicContact CG-CE1 4.23Å; I522-F524 HydrophobicContact CB-CE2 4.33Å; I522-F524 HydrophobicContact CB-CZ 4.45Å; I522-F524 HydrophobicContact CG2-CD2 4.49Å; I522-F524 HydrophobicContact CG2-CE1 4.04Å; I522-F524 HydrophobicContact CG2-CE2 3.76Å; I522-F524 HydrophobicContact CG2-CZ 3.5Å; F524-I531 VanDerWaalsContact O-CA 3.25Å; F524-I531 WeakPolarHBondContact O-CA 3.45Å; F524-T532 WeakPolarHBondContact CB-OG1 3.46Å; F524-T532 PolarHBondContact N-O 2.9Å; F524-T532 PolarHBondContact O-N 2.83Å; F524-V534 HydrophobicContact CD2-CG2 4.02Å; F524-V534 HydrophobicContact CE2-CB 4.1Å; F524-V534 HydrophobicContact CE2-CG2 3.75Å
525	L	80.8	Confident	71.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.8	171.3	168.1	69.3	0	0	0	108.1	I375 T473 I530 I531 W550 L585	I375-L525 VanDerWaalsContact CD1-O 3.28Å; I375-L525 WeakPolarHBondContact CD1-O 3.32Å; T473-L525 HydrophobicContact CG2-CD2 4.03Å; T473-L525 WeakPolarHBondContact OG1-CB 3.48Å; T473-L525 PolarHBondContact OG1-O 2.68Å; T473-L525 VanDerWaalsContact OG1-O 3.14Å; L525-I530 WeakPolarHBondContact CA-O 3.27Å; L525-I531 HydrophobicContact CB-CG1 4.48Å; L525-I531 HydrophobicContact CD1-CD1 4.35Å; L525-I531 HydrophobicContact CD1-CG1 3.7Å; L525-W550 HydrophobicContact CD2-CH2 4.09Å; L525-W550 HydrophobicContact CD2-CZ3 4.08Å; L525-W550 HydrophobicContact CG-CH2 4.06Å; L525-W550 HydrophobicContact CG-CZ3 4.25Å; L525-L585 HydrophobicContact CB-CB 4.2Å; L525-L585 HydrophobicContact CB-CD1 4.31Å; L525-L585 HydrophobicContact CB-CD2 3.87Å; L525-L585 HydrophobicContact CB-CG 4.34Å; L525-L585 HydrophobicContact CD2-CB 4.06Å; L525-L585 HydrophobicContact CD2-CD1 4.42Å
526	T	78.7	Confident	73.2	Confident	8 Å²	8	25.8 Å²	25.8	5%	0.049	13%	0.13	C	C	.	.			trans	-103.7	157.6	-179.9	49.6	0	0	0	0	110.7	C412 D528 G529 I530	C412-T526 HydrophobicContact CB-CG2 4.04Å; C412-T526 VanDerWaalsContact SG-CG2 3.53Å; T526-D528 WeakPolarHBondContact CB-OD1 3.44Å; T526-D528 PolarHBondContact O-N 3.46Å; T526-D528 VanDerWaalsContact O-N 3.09Å; T526-D528 PolarHBondContact OG1-OD1 2.79Å; T526-G529 PolarHBondContact O-N 2.86Å; T526-I530 PolarHBondContact N-O 3.29Å; T526-I530 WeakPolarHBondContact OG1-CB 3.4Å; T526-I530 PolarHBondContact OG1-N 3.37Å; T526-I530 PolarHBondContact OG1-O 3.02Å
527	S	78	Confident	74.3	Confident	4 Å²	4	21.3 Å²	21.3	3%	0.028	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.6	-174.4	60.3	0	0	0	0	116	G529 W550 L551	S527-G529 VanDerWaalsContact C-N 3.28Å; S527-W550 VanDerWaalsContact CA-CE2 3.49Å; S527-W550 VanDerWaalsContact CA-CZ2 3.46Å; S527-W550 PolarHBondContact O-N 3.21Å; S527-L551 VanDerWaalsContact O-CB 3.3Å; S527-L551 WeakPolarHBondContact O-CB 3.43Å; S527-L551 PolarHBondContact O-N 2.91Å
528	D	75.9	Confident	74.9	Confident	35 Å²	35	16.2 Å²	16.2	19%	0.187	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-5.9	173.9	73.1	-44.3	0	0	0	113.4	T526 I530 S549 L551	T526-D528 WeakPolarHBondContact CB-OD1 3.44Å; T526-D528 PolarHBondContact O-N 3.46Å; T526-D528 VanDerWaalsContact O-N 3.09Å; T526-D528 PolarHBondContact OG1-OD1 2.79Å; D528-I530 PolarHBondContact OD1-N 2.95Å; D528-I530 WeakPolarHBondContact OD2-CD1 3.16Å; D528-I530 WeakPolarHBondContact OD2-CG1 2.98Å; D528-S549 VanDerWaalsContact O-CB 3.29Å; D528-S549 WeakPolarHBondContact O-CB 3.43Å; D528-L551 HydrophobicContact CB-CD2 3.6Å
529	G	78.7	Confident	75.1	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	93.1	10.5	177.1	0	0	0	0	0	115	T526 S527 S546 V548	T526-G529 PolarHBondContact O-N 2.86Å; S527-G529 VanDerWaalsContact C-N 3.28Å; G529-S546 WeakPolarHBondContact O-CA 3.37Å; G529-S546 WeakPolarHBondContact O-CB 3.04Å; G529-S546 PolarHBondContact O-N 3.18Å; G529-S546 PolarHBondContact O-OG 3.1Å; G529-V548 WeakPolarHBondContact CA-O 3.08Å
530	I	80.8	Confident	75.4	Confident	4 Å²	4	21.2 Å²	21.2	2%	0.021	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	136.2	173.6	-67.2	171.4	0	0	0	110.4	C449 P451 L525 T526 D528 T532 R543 V544	C449-I530 VanDerWaalsContact O-CD1 3.27Å; C449-I530 WeakPolarHBondContact O-CD1 3.14Å; P451-I530 VanDerWaalsContact CD-CD1 3.45Å; L525-I530 WeakPolarHBondContact CA-O 3.27Å; T526-I530 PolarHBondContact N-O 3.29Å; T526-I530 WeakPolarHBondContact OG1-CB 3.4Å; T526-I530 PolarHBondContact OG1-N 3.37Å; T526-I530 PolarHBondContact OG1-O 3.02Å; D528-I530 PolarHBondContact OD1-N 2.95Å; D528-I530 WeakPolarHBondContact OD2-CD1 3.16Å; D528-I530 WeakPolarHBondContact OD2-CG1 2.98Å; I530-T532 HydrophobicContact CG2-CG2 4Å; I530-R543 HydrophobicContact CG2-CG 3.85Å; I530-V544 WeakPolarHBondContact CA-O 3.16Å
531	I	83.1	Confident	75.5	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.6	171.3	-57.7	174.6	0	0	0	108.3	F524 L525 W542 R543 V544 L585 L617 V628	F524-I531 VanDerWaalsContact O-CA 3.25Å; F524-I531 WeakPolarHBondContact O-CA 3.45Å; L525-I531 HydrophobicContact CB-CG1 4.48Å; L525-I531 HydrophobicContact CD1-CD1 4.35Å; L525-I531 HydrophobicContact CD1-CG1 3.7Å; I531-W542 HydrophobicContact CB-CZ3 4.41Å; I531-W542 HydrophobicContact CG2-CH2 3.98Å; I531-W542 HydrophobicContact CG2-CZ3 3.88Å; I531-R543 WeakPolarHBondContact O-CA 3.28Å; I531-V544 HydrophobicContact CB-CG1 4.08Å; I531-V544 PolarHBondContact N-O 3.1Å; I531-V544 PolarHBondContact O-N 3.26Å; I531-L585 HydrophobicContact CD1-CD1 4.23Å; I531-L617 HydrophobicContact CG2-CD1 4.49Å; I531-V628 HydrophobicContact CD1-CG2 3.98Å
532	T	79.2	Confident	75.7	Confident	10 Å²	10	23.7 Å²	23.7	6%	0.061	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142.7	174.7	54.1	0	0	0	0	110.8	Y523 F524 I530 R543	Y523-T532 VanDerWaalsContact CA-O 3.23Å; Y523-T532 WeakPolarHBondContact CA-O 3.42Å; F524-T532 WeakPolarHBondContact CB-OG1 3.46Å; F524-T532 PolarHBondContact N-O 2.9Å; F524-T532 PolarHBondContact O-N 2.83Å; I530-T532 HydrophobicContact CG2-CG2 4Å; T532-R543 HydrophobicContact CG2-CB 4.07Å; T532-R543 HydrophobicContact CG2-CG 3.91Å
533	S	82.5	Confident	75.7	Confident	0 Å²	0	27 Å²	27	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.2	169.9	-179.5	0	0	0	0	109.8	I522 Y523 N541 W542	I522-S533 WeakPolarHBondContact O-CA 3.48Å; Y523-S533 VanDerWaalsContact CE1-CB 3.47Å; Y523-S533 WeakPolarHBondContact CE1-OG 3.44Å; S533-N541 PolarHBondContact O-N 3.03Å; S533-N541 PolarHBondContact OG-ND2 2.61Å; S533-N541 VanDerWaalsContact OG-ND2 3.15Å; S533-W542 VanDerWaalsContact CB-CE2 3.4Å; S533-W542 PolarHBondContact N-O 2.87Å
534	V	74.8	Confident	75.6	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.6	179	-170.4	0	0	0	0	108.4	Y445 I522 F524 Y539	Y445-V534 HydrophobicContact CD1-CG2 3.84Å; Y445-V534 HydrophobicContact CD2-CB 4.48Å; Y445-V534 HydrophobicContact CD2-CG1 3.64Å; Y445-V534 HydrophobicContact CD2-CG2 3.95Å; Y445-V534 HydrophobicContact CE1-CG2 3.56Å; Y445-V534 HydrophobicContact CE2-CB 4.46Å; Y445-V534 HydrophobicContact CE2-CG1 3.84Å; Y445-V534 HydrophobicContact CE2-CG2 3.7Å; Y445-V534 HydrophobicContact CG-CG1 4.15Å; Y445-V534 HydrophobicContact CG-CG2 4.02Å; Y445-V534 VanDerWaalsContact CZ-CG2 3.49Å; I522-V534 PolarHBondContact N-O 3.19Å; I522-V534 PolarHBondContact O-N 2.87Å; F524-V534 HydrophobicContact CD2-CG2 4.02Å; F524-V534 HydrophobicContact CE2-CB 4.1Å; F524-V534 HydrophobicContact CE2-CG2 3.75Å; V534-Y539 CarbonylContact C-O 3.55Å; V534-Y539 WeakPolarHBondContact CA-O 3.42Å
535	S	71	Confident	75.7	Confident	10 Å²	10	31.4 Å²	31.4	7%	0.07	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	160.1	172.4	66.8	0	0	0	0	111.2	H520 H537 G538 Y539	H520-S535 CarbonylContact O-C 3.49Å; H520-S535 WeakPolarHBondContact O-CA 3.37Å; S535-H537 PolarHBondContact O-N 2.88Å; S535-H537 PolarHBondContact OG-N 2.88Å; S535-G538 PolarHBondContact O-N 3.15Å; S535-G538 PolarHBondContact OG-N 3.3Å; S535-Y539 PolarHBondContact N-O 2.91Å; S535-Y539 WeakPolarHBondContact OG-CB 3.29Å; S535-Y539 PolarHBondContact OG-N 3.09Å; S535-Y539 VanDerWaalsContact OG-N 3.09Å; S535-Y539 PolarHBondContact OG-O 3.33Å
536	N	69.4	Low	75.7	Confident	20 Å²	20	31.5 Å²	31.5	11%	0.107	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-16.6	168.6	60.2	-45.7	0	0	0	113.9	L352 E518 H520	L352-N536 HydrophobicContact CD2-CB 4.21Å; E518-N536 PolarHBondContact O-ND2 3.38Å; H520-N536 HydrophobicContact CB-CB 4.17Å; H520-N536 PolarHBondContact N-OD1 2.86Å; H520-N536 PolarHBondContact O-N 2.69Å; H520-N536 PolarHBondContact O-OD1 2.91Å
537	H	61.7	Low	75.9	Confident	54 Å²	54	37.6 Å²	37.6	25%	0.25	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	1.3	174.8	-57.8	-63.1	0	0	0	113.3	H519 S535 Y539	H519-H537 AromaticContact CE1-NE2 4Å; H519-H537 AromaticContact ND1-NE2 3.99Å; S535-H537 PolarHBondContact O-N 2.88Å; S535-H537 PolarHBondContact OG-N 2.88Å; H537-Y539 HydrophobicContact CB-CD2 3.78Å; H537-Y539 HydrophobicContact CB-CE2 3.83Å
538	G	59.3	Low	76.2	Confident	7 Å²	7	37.4 Å²	37.4	7%	0.072	18%	0.182	C	C	.	.	S	Bend	trans	86.7	8.8	176	0	0	0	0	0	115.5	S535	S535-G538 PolarHBondContact O-N 3.15Å; S535-G538 PolarHBondContact OG-N 3.3Å
539	Y	61.5	Low	76.6	Confident	166 Å²	166	37.8 Å²	37.8	65%	0.651	19%	0.187	S	C	*	.			trans	-85.4	131.1	175.6	-59.7	-70.8	0	0	0	111	V534 S535 H537 N541	V534-Y539 CarbonylContact C-O 3.55Å; V534-Y539 WeakPolarHBondContact CA-O 3.42Å; S535-Y539 PolarHBondContact N-O 2.91Å; S535-Y539 WeakPolarHBondContact OG-CB 3.29Å; S535-Y539 PolarHBondContact OG-N 3.09Å; S535-Y539 VanDerWaalsContact OG-N 3.09Å; S535-Y539 PolarHBondContact OG-O 3.33Å; H537-Y539 HydrophobicContact CB-CD2 3.78Å; H537-Y539 HydrophobicContact CB-CE2 3.83Å; Y539-N541 PolarHBondContact O-N 2.74Å
540	E	71.2	Confident	76.9	Confident	89 Å²	89	37.9 Å²	37.9	42%	0.416	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	121	170.2	-174.4	179.4	160.9	0	0	109.7	Y445 R543	Y445-E540 HydrophobicContact CE2-CB 4.4Å; Y445-E540 WeakPolarHBondContact OH-CG 3.31Å; Y445-E540 PolarHBondContact OH-OE2 3Å; E540-R543 VanDerWaalsContact OE1-CB 3.22Å; E540-R543 WeakPolarHBondContact OE1-CB 3.48Å
541	N	76.5	Confident	76.8	Confident	54 Å²	54	38.6 Å²	38.6	29%	0.289	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-49.4	174.2	-66.3	-48.7	0	0	0	110.8	R480 D521 S533 Y539	R480-N541 VanDerWaalsContact NH1-CG 3.3Å; R480-N541 PolarHBondContact NH1-ND2 2.86Å; R480-N541 PolarHBondContact NH1-OD1 2.97Å; D521-N541 PolarHBondContact OD1-ND2 2.75Å; S533-N541 PolarHBondContact O-N 3.03Å; S533-N541 PolarHBondContact OG-ND2 2.61Å; S533-N541 VanDerWaalsContact OG-ND2 3.15Å; Y539-N541 PolarHBondContact O-N 2.74Å
542	W	81.6	Confident	76.5	Confident	29 Å²	29	45.5 Å²	45.5	11%	0.11	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	160.5	-178.8	53.3	-104.2	0	0	0	110.9	Y523 I531 S533 V544 L617 V628 R630 G633	Y523-W542 AromaticContact CD1-CH2 3.93Å; Y523-W542 HydrophobicContact CD1-CH2 3.93Å; Y523-W542 AromaticContact CD1-CZ2 3.87Å; Y523-W542 HydrophobicContact CD1-CZ2 3.87Å; Y523-W542 AromaticContact CE1-CH2 3.99Å; Y523-W542 HydrophobicContact CE1-CH2 3.99Å; Y523-W542 AromaticContact CE1-CZ2 3.44Å; Y523-W542 HydrophobicContact CE1-CZ2 3.44Å; Y523-W542 VanDerWaalsContact CE1-CZ2 3.44Å; I531-W542 HydrophobicContact CB-CZ3 4.41Å; I531-W542 HydrophobicContact CG2-CH2 3.98Å; I531-W542 HydrophobicContact CG2-CZ3 3.88Å; S533-W542 VanDerWaalsContact CB-CE2 3.4Å; S533-W542 PolarHBondContact N-O 2.87Å; W542-V544 HydrophobicContact CE3-CG1 4.36Å; W542-V544 HydrophobicContact CZ3-CG1 3.87Å; W542-L617 HydrophobicContact CH2-CD1 3.68Å; W542-L617 HydrophobicContact CZ2-CD1 4Å; W542-V628 HydrophobicContact CH2-CG1 3.94Å; W542-V628 HydrophobicContact CZ3-CG1 4.2Å; W542-R630 WeakPolarHBondContact CZ2-O 2.95Å; W542-R630 PolarHBondContact NE1-O 2.93Å; W542-G633 VanDerWaalsContact CE2-CA 3.47Å
543	R	79.9	Confident	76.5	Confident	69 Å²	69	46 Å²	46	26%	0.26	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	137.1	175.5	166.9	177.8	-89.9	178.9	-11.4	109.8	G447 L448 I530 I531 T532 E540	G447-R543 PolarHBondContact O-NH2 2.74Å; L448-R543 PolarHBondContact O-NH1 3.49Å; L448-R543 VanDerWaalsContact O-NH1 3.08Å; L448-R543 PolarHBondContact O-NH2 2.91Å; I530-R543 HydrophobicContact CG2-CG 3.85Å; I531-R543 WeakPolarHBondContact O-CA 3.28Å; T532-R543 HydrophobicContact CG2-CB 4.07Å; T532-R543 HydrophobicContact CG2-CG 3.91Å; E540-R543 VanDerWaalsContact OE1-CB 3.22Å; E540-R543 WeakPolarHBondContact OE1-CB 3.48Å
544	V	82.4	Confident	76.2	Confident	24 Å²	24	46.6 Å²	46.6	15%	0.145	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	142.5	178.5	71.9	0	0	0	0	111.3	I530 I531 W542 V628 G633 L635	I530-V544 WeakPolarHBondContact CA-O 3.16Å; I531-V544 HydrophobicContact CB-CG1 4.08Å; I531-V544 PolarHBondContact N-O 3.1Å; I531-V544 PolarHBondContact O-N 3.26Å; W542-V544 HydrophobicContact CE3-CG1 4.36Å; W542-V544 HydrophobicContact CZ3-CG1 3.87Å; V544-V628 HydrophobicContact CG1-CG1 3.86Å; V544-V628 HydrophobicContact CG1-CG2 4.05Å; V544-G633 VanDerWaalsContact CB-O 3.24Å; V544-G633 WeakPolarHBondContact CB-O 3.44Å; V544-G633 VanDerWaalsContact CG2-O 3.31Å; V544-G633 WeakPolarHBondContact CG2-O 3.3Å; V544-L635 HydrophobicContact CG2-CB 4.31Å
545	S	83.3	Confident	76	Confident	76 Å²	76	49.8 Å²	49.8	53%	0.531	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	114.9	167.7	178.6	0	0	0	0	108.3
546	S	80.9	Confident	76.1	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.021	26%	0.26	C	S	.	.			trans	-86.9	150.3	168	76.9	0	0	0	0	109.2	G529 V548	G529-S546 WeakPolarHBondContact O-CA 3.37Å; G529-S546 WeakPolarHBondContact O-CB 3.04Å; G529-S546 PolarHBondContact O-N 3.18Å; G529-S546 PolarHBondContact O-OG 3.1Å; S546-V548 PolarHBondContact O-N 3.12Å; S546-V548 WeakPolarHBondContact OG-CB 3.4Å
547	E	81.8	Confident	76.2	Confident	136 Å²	136	52 Å²	52	64%	0.636	26%	0.257	S	S	*	.	S	Bend	trans	-70.8	19.5	175.6	-60	-175.8	170.3	0	0	113	S624 L635 A638	E547-S624 PolarHBondContact O-OG 3.43Å; E547-L635 HydrophobicContact CG-CD2 4.46Å; E547-A638 HydrophobicContact CB-CB 4.22Å; E547-A638 HydrophobicContact CG-CB 4.38Å; E547-A638 WeakPolarHBondContact OE2-CB 3.37Å
548	V	84.9	Confident	76.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.256	C	S	.	.			trans	-111.3	73.4	-164.9	-167.2	0	0	0	0	109.5	G529 S546 S619 S624	G529-V548 WeakPolarHBondContact CA-O 3.08Å; S546-V548 PolarHBondContact O-N 3.12Å; S546-V548 WeakPolarHBondContact OG-CB 3.4Å; V548-S619 WeakPolarHBondContact CG2-OG 3.42Å; V548-S624 WeakPolarHBondContact CA-OG 3.37Å
549	S	84.8	Confident	76.5	Confident	42 Å²	42	53 Å²	53	29%	0.294	27%	0.27	S	S	.	.			trans	-113.4	147.7	-176.9	80.3	0	0	0	0	111.7	D528	D528-S549 VanDerWaalsContact O-CB 3.29Å; D528-S549 WeakPolarHBondContact O-CB 3.43Å
550	W	84.8	Confident	76.3	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.008	25%	0.253	C	S	.	.			trans	-127.1	0.3	169.1	61.3	92.7	0	0	0	112.7	K471 T473 L525 S527 Q552 V553 S554 Y577 F581 P583 W622	K471-W550 WeakPolarHBondContact O-CZ2 3.32Å; K471-W550 PolarHBondContact O-NE1 3.06Å; T473-W550 HydrophobicContact CG2-CH2 3.95Å; T473-W550 HydrophobicContact CG2-CZ2 4.44Å; L525-W550 HydrophobicContact CD2-CH2 4.09Å; L525-W550 HydrophobicContact CD2-CZ3 4.08Å; L525-W550 HydrophobicContact CG-CH2 4.06Å; L525-W550 HydrophobicContact CG-CZ3 4.25Å; S527-W550 VanDerWaalsContact CA-CE2 3.49Å; S527-W550 VanDerWaalsContact CA-CZ2 3.46Å; S527-W550 PolarHBondContact O-N 3.21Å; W550-Q552 VanDerWaalsContact C-N 3.27Å; W550-Q552 PolarHBondContact O-N 3.11Å; W550-V553 PolarHBondContact O-N 3.32Å; W550-S554 PolarHBondContact O-N 3.49Å; W550-S554 VanDerWaalsContact O-N 3.09Å; W550-Y577 VanDerWaalsContact CD1-OH 3.26Å; W550-F581 HydrophobicContact CB-CE1 3.6Å; W550-F581 HydrophobicContact CB-CZ 3.69Å; W550-F581 AromaticContact CD1-CE1 3.88Å; W550-F581 HydrophobicContact CD2-CE1 4.11Å; W550-F581 HydrophobicContact CD2-CZ 4.03Å; W550-F581 HydrophobicContact CE3-CZ 4.27Å; W550-F581 AromaticContact CG-CE1 3.59Å; W550-F581 HydrophobicContact CG-CE1 3.59Å; W550-F581 AromaticContact CG-CZ 3.83Å; W550-F581 HydrophobicContact CG-CZ 3.83Å; W550-P583 HydrophobicContact CD2-CB 4.1Å; W550-P583 HydrophobicContact CD2-CG 4.43Å; W550-P583 HydrophobicContact CE3-CB 3.91Å; W550-P583 HydrophobicContact CH2-CB 3.59Å; W550-P583 HydrophobicContact CH2-CG 4.12Å; W550-P583 HydrophobicContact CZ2-CB 3.77Å; W550-P583 HydrophobicContact CZ2-CG 3.78Å; W550-P583 HydrophobicContact CZ3-CB 3.67Å; W550-W622 HydrophobicContact CB-CB 3.93Å
551	L	78.2	Confident	75.5	Confident	20 Å²	20	47.1 Å²	47.1	11%	0.105	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-29.5	-175.8	-178.3	58	0	0	0	114.1	S527 D528 V553 S554 R555	S527-L551 VanDerWaalsContact O-CB 3.3Å; S527-L551 WeakPolarHBondContact O-CB 3.43Å; S527-L551 PolarHBondContact O-N 2.91Å; D528-L551 HydrophobicContact CB-CD2 3.6Å; L551-V553 VanDerWaalsContact C-N 3.33Å; L551-S554 WeakPolarHBondContact CA-OG 3.2Å; L551-S554 PolarHBondContact O-OG 3.05Å; L551-R555 WeakPolarHBondContact O-CG 3.43Å; L551-R555 PolarHBondContact O-N 3.33Å; L551-R555 VanDerWaalsContact O-N 3.16Å
552	Q	77.8	Confident	74.4	Confident	144 Å²	144	48.4 Å²	48.4	67%	0.673	28%	0.276	S	S	*	.	H	α-helix	trans	-66.4	-37.6	175.1	-70.3	-172.8	-15.1	0	0	111.9	W550 T556	W550-Q552 VanDerWaalsContact C-N 3.27Å; W550-Q552 PolarHBondContact O-N 3.11Å; Q552-T556 PolarHBondContact O-N 2.86Å; Q552-T556 PolarHBondContact O-OG1 3.1Å
553	V	79	Confident	73.1	Confident	22 Å²	22	53.3 Å²	53.3	13%	0.133	30%	0.3	C	S	.	.	H	α-helix	trans	-74.6	-41.6	-179.6	-177.7	0	0	0	0	111	W550 L551 R555 T556 L557 L573 Y577 W622	W550-V553 PolarHBondContact O-N 3.32Å; L551-V553 VanDerWaalsContact C-N 3.33Å; V553-R555 PolarHBondContact O-N 3.44Å; V553-T556 WeakPolarHBondContact CA-OG1 3.47Å; V553-T556 PolarHBondContact O-N 3.29Å; V553-T556 PolarHBondContact O-OG1 3.16Å; V553-L557 HydrophobicContact CG1-CD1 4.36Å; V553-L557 PolarHBondContact O-N 2.75Å; V553-L557 VanDerWaalsContact O-N 3.15Å; V553-L573 HydrophobicContact CG1-CD2 4.09Å; V553-Y577 HydrophobicContact CB-CD2 4.38Å; V553-Y577 HydrophobicContact CB-CE2 4.39Å; V553-Y577 HydrophobicContact CG1-CD2 3.66Å; V553-Y577 HydrophobicContact CG1-CE2 4.15Å; V553-Y577 HydrophobicContact CG1-CG 4.47Å; V553-W622 HydrophobicContact CB-CD2 4.32Å; V553-W622 HydrophobicContact CG1-CD2 4.16Å; V553-W622 HydrophobicContact CG1-CE3 4.24Å; V553-W622 HydrophobicContact CG1-CH2 4.05Å; V553-W622 HydrophobicContact CG1-CZ2 3.97Å; V553-W622 HydrophobicContact CG1-CZ3 4.2Å; V553-W622 HydrophobicContact CG2-CB 4.41Å; V553-W622 HydrophobicContact CG2-CD2 3.85Å; V553-W622 HydrophobicContact CG2-CG 3.72Å
554	S	75.8	Confident	71.8	Confident	11 Å²	11	53.4 Å²	53.4	8%	0.077	32%	0.322	C	S	.	.	H	α-helix	trans	-59.8	-36.7	175.2	73.7	0	0	0	0	111.6	D468 W550 L551 G558 Y577	D468-S554 WeakPolarHBondContact OD2-CB 3.33Å; W550-S554 PolarHBondContact O-N 3.49Å; W550-S554 VanDerWaalsContact O-N 3.09Å; L551-S554 WeakPolarHBondContact CA-OG 3.2Å; L551-S554 PolarHBondContact O-OG 3.05Å; S554-G558 PolarHBondContact O-N 3.48Å; S554-Y577 VanDerWaalsContact CB-OH 3.29Å; S554-Y577 WeakPolarHBondContact CB-OH 2.93Å
555	R	71	Confident	70.2	Confident	68 Å²	68	58.7 Å²	58.7	26%	0.257	35%	0.346	S	S	.	.	H	α-helix	trans	-64.6	-48.5	175	-76.3	173.7	-166	156.4	14.5	113.1	W465 L551 V553 L557 G558 T559	W465-R555 VanDerWaalsContact CH2-CZ 3.42Å; L551-R555 WeakPolarHBondContact O-CG 3.43Å; L551-R555 PolarHBondContact O-N 3.33Å; L551-R555 VanDerWaalsContact O-N 3.16Å; V553-R555 PolarHBondContact O-N 3.44Å; R555-L557 PolarHBondContact O-N 2.73Å; R555-G558 PolarHBondContact O-N 3.38Å; R555-T559 WeakPolarHBondContact O-CG2 3.42Å; R555-T559 PolarHBondContact O-N 3.09Å; R555-T559 PolarHBondContact O-OG1 3.1Å; R555-T559 VanDerWaalsContact O-OG1 3.11Å
556	T	72.4	Confident	68.6	Low	70 Å²	70	63.9 Å²	63.9	43%	0.429	36%	0.361	S	S	.	.	H	α-helix	trans	-55.5	-46.2	179.7	40.9	0	0	0	0	110.1	Q552 V553 T559 L560	Q552-T556 PolarHBondContact O-N 2.86Å; Q552-T556 PolarHBondContact O-OG1 3.1Å; V553-T556 WeakPolarHBondContact CA-OG1 3.47Å; V553-T556 PolarHBondContact O-N 3.29Å; V553-T556 PolarHBondContact O-OG1 3.16Å; T556-T559 PolarHBondContact O-N 2.86Å; T556-T559 PolarHBondContact O-OG1 2.76Å; T556-L560 WeakPolarHBondContact O-CD1 3.45Å; T556-L560 VanDerWaalsContact O-CG 3.29Å; T556-L560 WeakPolarHBondContact O-CG 3.49Å; T556-L560 PolarHBondContact O-N 3.12Å
557	L	71.7	Confident	67.2	Low	6 Å²	6	71.9 Å²	71.9	3%	0.031	39%	0.391	C	S	.	.	H	α-helix	trans	-68.4	-39.9	177.7	-70.5	172.1	0	0	0	113.7	V553 R555 T559 L560 A561 L573 N574 Y577	V553-L557 HydrophobicContact CG1-CD1 4.36Å; V553-L557 PolarHBondContact O-N 2.75Å; V553-L557 VanDerWaalsContact O-N 3.15Å; R555-L557 PolarHBondContact O-N 2.73Å; L557-T559 PolarHBondContact O-N 2.76Å; L557-L560 PolarHBondContact O-N 2.73Å; L557-A561 PolarHBondContact O-N 2.66Å; L557-A561 VanDerWaalsContact O-N 3.1Å; L557-L573 HydrophobicContact CD1-CD2 3.99Å; L557-L573 HydrophobicContact CD2-CD2 3.63Å; L557-L573 HydrophobicContact CG-CD2 3.73Å; L557-N574 HydrophobicContact CD2-CB 3.72Å; L557-Y577 HydrophobicContact CD1-CD1 3.48Å; L557-Y577 VanDerWaalsContact CD1-CD1 3.48Å; L557-Y577 HydrophobicContact CD1-CD2 4.01Å; L557-Y577 HydrophobicContact CD1-CE1 4.32Å; L557-Y577 HydrophobicContact CD1-CG 3.3Å
558	G	64.7	Low	65.9	Low	24 Å²	24	70.6 Å²	70.6	25%	0.247	40%	0.397	C	S	.	.	H	α-helix	trans	-61.3	-42.3	176.7	0	0	0	0	0	112.8	S554 R555 L560 S562	S554-G558 PolarHBondContact O-N 3.48Å; R555-G558 PolarHBondContact O-N 3.38Å; G558-L560 VanDerWaalsContact C-N 3.34Å; G558-L560 PolarHBondContact O-N 2.78Å; G558-S562 PolarHBondContact O-N 3.15Å; G558-S562 PolarHBondContact O-OG 3.47Å
559	T	62.2	Low	64.3	Low	57 Å²	57	76.2 Å²	76.2	35%	0.35	43%	0.431	S	S	.	.	H	α-helix	trans	-69.9	-29.6	178.2	53.9	0	0	0	0	113.6	R555 T556 L557 S562 H563	R555-T559 WeakPolarHBondContact O-CG2 3.42Å; R555-T559 PolarHBondContact O-N 3.09Å; R555-T559 PolarHBondContact O-OG1 3.1Å; R555-T559 VanDerWaalsContact O-OG1 3.11Å; T556-T559 PolarHBondContact O-N 2.86Å; T556-T559 PolarHBondContact O-OG1 2.76Å; L557-T559 PolarHBondContact O-N 2.76Å; T559-S562 PolarHBondContact O-OG 2.97Å; T559-H563 PolarHBondContact O-CD2 2.77Å; T559-H563 VanDerWaalsContact O-CD2 3.24Å
560	L	57	Low	63.3	Low	56 Å²	56	76.5 Å²	76.5	29%	0.293	43%	0.429	S	S	.	.	H	α-helix	trans	-72.9	-43	177.5	-75.1	157.3	0	0	0	111	T556 L557 G558 S562 H563 D570	T556-L560 WeakPolarHBondContact O-CD1 3.45Å; T556-L560 VanDerWaalsContact O-CG 3.29Å; T556-L560 WeakPolarHBondContact O-CG 3.49Å; T556-L560 PolarHBondContact O-N 3.12Å; L557-L560 PolarHBondContact O-N 2.73Å; G558-L560 VanDerWaalsContact C-N 3.34Å; G558-L560 PolarHBondContact O-N 2.78Å; L560-S562 VanDerWaalsContact C-N 3.29Å; L560-S562 PolarHBondContact O-N 3.01Å; L560-H563 PolarHBondContact O-N 3.48Å; L560-D570 HydrophobicContact CD1-CB 4.03Å; L560-D570 WeakPolarHBondContact CD2-OD2 3.35Å
561	A	55.9	Low	62.4	Low	77 Å²	77	82.6 Å²	82.6	64%	0.636	46%	0.456	S	S	*	.	H	α-helix	trans	-62.7	-33.2	178.7	0	0	0	0	0	113.1	L557 H563	L557-A561 PolarHBondContact O-N 2.66Å; L557-A561 VanDerWaalsContact O-N 3.1Å; A561-H563 VanDerWaalsContact C-N 3.34Å
562	S	53	Low	62.2	Low	81 Å²	81	84.8 Å²	84.8	57%	0.566	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-17.4	178.9	55.8	0	0	0	0	114.4	G558 T559 L560	G558-S562 PolarHBondContact O-N 3.15Å; G558-S562 PolarHBondContact O-OG 3.47Å; T559-S562 PolarHBondContact O-OG 2.97Å; L560-S562 VanDerWaalsContact C-N 3.29Å; L560-S562 PolarHBondContact O-N 3.01Å
563	H	52.7	Low	62.1	Low	131 Å²	131	80.8 Å²	80.8	61%	0.606	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-0.6	-172.8	-76.5	-47.2	0	0	0	115.2	T559 L560 A561 E565	T559-H563 PolarHBondContact O-CD2 2.77Å; T559-H563 VanDerWaalsContact O-CD2 3.24Å; L560-H563 PolarHBondContact O-N 3.48Å; A561-H563 VanDerWaalsContact C-N 3.34Å; H563-E565 PolarHBondContact O-N 3.48Å
564	G	52.6	Low	61.9	Low	71 Å²	71	82.1 Å²	82.1	73%	0.732	46%	0.455	S	S	*	.			trans	64.8	2.6	170.2	0	0	0	0	0	116.2	E566	G564-E566 PolarHBondContact O-N 2.95Å
565	E	49.9	Very low	61.9	Low	135 Å²	135	84.6 Å²	84.6	63%	0.631	47%	0.467	S	S	*	.			trans	-93.1	95.4	175.7	-74.1	-170.8	170.6	0	0	110.1	H563 R567	H563-E565 PolarHBondContact O-N 3.48Å; E565-R567 PolarHBondContact O-N 3.44Å
566	E	50.1	Low	62.1	Low	185 Å²	185	82.1 Å²	82.1	86%	0.864	46%	0.459	S	S	*	.			trans	-67.7	90.7	168.5	-73.9	-172.2	153.1	0	0	110.2	G564	G564-E566 PolarHBondContact O-N 2.95Å
567	R	52	Low	62.5	Low	172 Å²	172	78.8 Å²	78.8	65%	0.649	44%	0.439	S	S	*	.			trans	-79.7	127	161.7	-74.3	-176.9	-178.9	175.7	2.4	109	E565 V569 D570	E565-R567 PolarHBondContact O-N 3.44Å; R567-V569 PolarHBondContact O-N 3.29Å; R567-V569 VanDerWaalsContact O-N 3.11Å; R567-D570 WeakPolarHBondContact O-CB 3.37Å; R567-D570 PolarHBondContact O-N 3.26Å
568	S	53.3	Low	62.7	Low	109 Å²	109	81.9 Å²	81.9	76%	0.762	45%	0.454	S	S	*	.	H	α-helix	trans	-57.5	-27.2	-172	56.5	0	0	0	0	115.5	D570	S568-D570 VanDerWaalsContact C-N 3.26Å; S568-D570 PolarHBondContact O-N 3.32Å
569	V	51.9	Low	63	Low	118 Å²	118	85.5 Å²	85.5	72%	0.715	47%	0.468	S	S	*	.	H	α-helix	trans	-71.3	-23.8	178	-176.7	0	0	0	0	111.8	R567	R567-V569 PolarHBondContact O-N 3.29Å; R567-V569 VanDerWaalsContact O-N 3.11Å
570	D	63	Low	63.5	Low	47 Å²	47	83.8 Å²	83.8	25%	0.251	46%	0.456	S	S	.	.	H	α-helix	trans	-86.2	-20.1	-174.9	-64.6	-40.9	0	0	0	113.2	L560 R567 S568 H572 L573 N574	L560-D570 HydrophobicContact CD1-CB 4.03Å; L560-D570 WeakPolarHBondContact CD2-OD2 3.35Å; R567-D570 WeakPolarHBondContact O-CB 3.37Å; R567-D570 PolarHBondContact O-N 3.26Å; S568-D570 VanDerWaalsContact C-N 3.26Å; S568-D570 PolarHBondContact O-N 3.32Å; D570-H572 VanDerWaalsContact C-N 3.33Å; D570-H572 PolarHBondContact O-N 3.01Å; D570-L573 PolarHBondContact O-N 2.8Å; D570-N574 WeakPolarHBondContact O-CB 3.36Å; D570-N574 PolarHBondContact O-N 3.28Å
571	K	66.8	Low	64.7	Low	131 Å²	131	81.1 Å²	81.1	57%	0.57	44%	0.442	S	S	*	.	H	α-helix	trans	-63	-42.4	178.2	-164.3	172.8	-176	172.9	0	111.3	L573 N574 D575	K571-L573 PolarHBondContact O-N 3.07Å; K571-N574 WeakPolarHBondContact O-CB 3.47Å; K571-N574 PolarHBondContact O-N 3.44Å; K571-D575 WeakPolarHBondContact O-CB 3.26Å; K571-D575 PolarHBondContact O-N 3.26Å
572	H	72.6	Confident	65.7	Low	66 Å²	66	84.2 Å²	84.2	31%	0.306	44%	0.437	S	S	.	.	H	α-helix	trans	-61.6	-43.8	176	-174.3	-89.8	0	0	0	112.7	S38 D570 N574 D575 L576	S38-H572 PolarHBondContact O-NE2 3.24Å; D570-H572 VanDerWaalsContact C-N 3.33Å; D570-H572 PolarHBondContact O-N 3.01Å; H572-N574 VanDerWaalsContact C-N 3.33Å; H572-D575 PolarHBondContact O-N 3.15Å; H572-L576 WeakPolarHBondContact CE1-CD1 3.32Å; H572-L576 WeakPolarHBondContact O-CB 3.38Å; H572-L576 WeakPolarHBondContact O-CG 3.42Å; H572-L576 PolarHBondContact O-N 3.07Å
573	L	77.2	Confident	67.2	Low	59 Å²	59	80.8 Å²	80.8	31%	0.309	41%	0.413	S	S	.	.	H	α-helix	trans	-67.9	-35.8	178	-168.4	133.1	0	0	0	111.6	V553 L557 D570 K571 Y577	V553-L573 HydrophobicContact CG1-CD2 4.09Å; L557-L573 HydrophobicContact CD1-CD2 3.99Å; L557-L573 HydrophobicContact CD2-CD2 3.63Å; L557-L573 HydrophobicContact CG-CD2 3.73Å; D570-L573 PolarHBondContact O-N 2.8Å; K571-L573 PolarHBondContact O-N 3.07Å; L573-Y577 VanDerWaalsContact O-CB 3.3Å; L573-Y577 WeakPolarHBondContact O-CB 3.45Å; L573-Y577 PolarHBondContact O-N 3.17Å
574	N	74.5	Confident	68.7	Low	51 Å²	51	74.7 Å²	74.7	27%	0.273	39%	0.385	S	S	.	.	H	α-helix	trans	-64.7	-45.6	173.4	-168.5	47.4	0	0	0	111.5	L557 D570 K571 H572 Y577 I578	L557-N574 HydrophobicContact CD2-CB 3.72Å; D570-N574 WeakPolarHBondContact O-CB 3.36Å; D570-N574 PolarHBondContact O-N 3.28Å; K571-N574 WeakPolarHBondContact O-CB 3.47Å; K571-N574 PolarHBondContact O-N 3.44Å; H572-N574 VanDerWaalsContact C-N 3.33Å; N574-Y577 PolarHBondContact O-N 3.14Å; N574-I578 WeakPolarHBondContact O-CB 2.96Å; N574-I578 WeakPolarHBondContact O-CG1 3.38Å; N574-I578 PolarHBondContact O-N 3.49Å; N574-I578 WeakPolarHBondContact OD1-CD1 3.45Å
575	D	74.8	Confident	70.2	Confident	62 Å²	62	71.3 Å²	71.3	33%	0.332	35%	0.35	S	S	.	.	H	α-helix	trans	-66.2	-39.5	178.5	-63.1	-14.4	0	0	0	111.1	K571 H572 D579 H580	K571-D575 WeakPolarHBondContact O-CB 3.26Å; K571-D575 PolarHBondContact O-N 3.26Å; H572-D575 PolarHBondContact O-N 3.15Å; D575-D579 VanDerWaalsContact O-CB 3.3Å; D575-D579 WeakPolarHBondContact O-CB 3.45Å; D575-D579 PolarHBondContact O-N 2.91Å; D575-H580 PolarHBondContact O-ND1 2.96Å; D575-H580 VanDerWaalsContact O-ND1 3.09Å
576	L	76.5	Confident	71.8	Confident	16 Å²	16	64.9 Å²	64.9	8%	0.084	32%	0.32	C	S	.	.	I	π-helix	trans	-61.5	-44.4	171.3	-78.9	178.1	0	0	0	111.9	H572 H580 F581 W622 N677	H572-L576 WeakPolarHBondContact CE1-CD1 3.32Å; H572-L576 WeakPolarHBondContact O-CB 3.38Å; H572-L576 WeakPolarHBondContact O-CG 3.42Å; H572-L576 PolarHBondContact O-N 3.07Å; L576-H580 HydrophobicContact CD2-CB 4.42Å; L576-H580 WeakPolarHBondContact O-CA 3.25Å; L576-H580 VanDerWaalsContact O-CB 3.25Å; L576-H580 WeakPolarHBondContact O-CB 3.24Å; L576-H580 PolarHBondContact O-N 3.31Å; L576-H580 VanDerWaalsContact O-N 3.17Å; L576-F581 PolarHBondContact O-N 2.93Å; L576-W622 HydrophobicContact CB-CH2 4.35Å; L576-N677 WeakPolarHBondContact CD2-ND2 3.31Å
577	Y	80.7	Confident	73.4	Confident	1 Å²	1	57.5 Å²	57.5	0%	0.004	29%	0.291	C	S	.	.	I	π-helix	trans	-71.2	-47.2	-177.7	-175	-94.6	0	0	0	112.8	D468 K471 W550 V553 S554 L557 L573 N574 F581 W622	D468-Y577 WeakPolarHBondContact OD2-CE1 3.44Å; D468-Y577 VanDerWaalsContact OD2-CZ 3.32Å; D468-Y577 PolarHBondContact OD2-OH 3.15Å; K471-Y577 WeakPolarHBondContact CE-O 3.24Å; K471-Y577 HydrophobicContact CG-CE1 3.78Å; K471-Y577 PolarHBondContact NZ-O 3.5Å; W550-Y577 VanDerWaalsContact CD1-OH 3.26Å; V553-Y577 HydrophobicContact CB-CD2 4.38Å; V553-Y577 HydrophobicContact CB-CE2 4.39Å; V553-Y577 HydrophobicContact CG1-CD2 3.66Å; V553-Y577 HydrophobicContact CG1-CE2 4.15Å; V553-Y577 HydrophobicContact CG1-CG 4.47Å; S554-Y577 VanDerWaalsContact CB-OH 3.29Å; S554-Y577 WeakPolarHBondContact CB-OH 2.93Å; L557-Y577 HydrophobicContact CD1-CD1 3.48Å; L557-Y577 VanDerWaalsContact CD1-CD1 3.48Å; L557-Y577 HydrophobicContact CD1-CD2 4.01Å; L557-Y577 HydrophobicContact CD1-CE1 4.32Å; L557-Y577 HydrophobicContact CD1-CG 3.3Å; L573-Y577 VanDerWaalsContact O-CB 3.3Å; L573-Y577 WeakPolarHBondContact O-CB 3.45Å; L573-Y577 PolarHBondContact O-N 3.17Å; N574-Y577 PolarHBondContact O-N 3.14Å; Y577-F581 AromaticContact CD2-CD1 3.91Å; Y577-F581 HydrophobicContact CD2-CD1 3.91Å; Y577-F581 AromaticContact CE2-CD1 3.71Å; Y577-F581 HydrophobicContact CE2-CD1 3.71Å; Y577-F581 AromaticContact CE2-CE1 4Å; Y577-F581 HydrophobicContact CE2-CE1 4Å; Y577-W622 AromaticContact CD2-CE3 3.88Å; Y577-W622 HydrophobicContact CD2-CE3 3.88Å; Y577-W622 HydrophobicContact CD2-CH2 4.16Å; Y577-W622 AromaticContact CD2-CZ3 3.45Å; Y577-W622 HydrophobicContact CD2-CZ3 3.45Å; Y577-W622 VanDerWaalsContact CD2-CZ3 3.45Å; Y577-W622 HydrophobicContact CE2-CE3 4.38Å; Y577-W622 HydrophobicContact CE2-CZ3 4.35Å; Y577-W622 HydrophobicContact CG-CZ3 4.21Å
578	I	75.9	Confident	74.6	Confident	70 Å²	70	50.3 Å²	50.3	36%	0.359	27%	0.265	S	S	.	.	I	π-helix	trans	-73.3	-49.2	-176	-65.7	-179.3	0	0	0	110.4	K471 N574	K471-I578 PolarHBondContact NZ-O 3.14Å; N574-I578 WeakPolarHBondContact O-CB 2.96Å; N574-I578 WeakPolarHBondContact O-CG1 3.38Å; N574-I578 PolarHBondContact O-N 3.49Å; N574-I578 WeakPolarHBondContact OD1-CD1 3.45Å
579	D	70.1	Confident	75.7	Confident	100 Å²	100	49.1 Å²	49.1	54%	0.535	25%	0.25	S	S	.	.	I	π-helix	trans	-92.5	-32.1	-169.3	-64.1	-29.3	0	0	0	113.6	D575	D575-D579 VanDerWaalsContact O-CB 3.3Å; D575-D579 WeakPolarHBondContact O-CB 3.45Å; D575-D579 PolarHBondContact O-N 2.91Å
580	H	73.4	Confident	76.6	Confident	21 Å²	21	43.6 Å²	43.6	10%	0.097	22%	0.217	C	C	.	.	I	π-helix	trans	-103.3	-51.2	-169.1	-59.1	75.5	0	0	0	112.7	G40 D575 L576 R582 T646	G40-H580 PolarHBondContact O-CE1 2.9Å; G40-H580 PolarHBondContact O-NE2 3.45Å; D575-H580 PolarHBondContact O-ND1 2.96Å; D575-H580 VanDerWaalsContact O-ND1 3.09Å; L576-H580 HydrophobicContact CD2-CB 4.42Å; L576-H580 WeakPolarHBondContact O-CA 3.25Å; L576-H580 VanDerWaalsContact O-CB 3.25Å; L576-H580 WeakPolarHBondContact O-CB 3.24Å; L576-H580 PolarHBondContact O-N 3.31Å; L576-H580 VanDerWaalsContact O-N 3.17Å; H580-R582 PolarHBondContact O-N 3.05Å; H580-T646 HydrophobicContact CB-CG2 4.37Å; H580-T646 WeakPolarHBondContact O-CA 3.24Å
581	F	80.9	Confident	77	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.205	C	C	.	.			trans	-66.4	124.9	-174.3	172.7	-119.9	0	0	0	111.6	K471 W550 L576 Y577 P583 G621 W622 P645	K471-F581 PolarHBondContact NZ-O 3.24Å; W550-F581 HydrophobicContact CB-CE1 3.6Å; W550-F581 HydrophobicContact CB-CZ 3.69Å; W550-F581 AromaticContact CD1-CE1 3.88Å; W550-F581 HydrophobicContact CD2-CE1 4.11Å; W550-F581 HydrophobicContact CD2-CZ 4.03Å; W550-F581 HydrophobicContact CE3-CZ 4.27Å; W550-F581 AromaticContact CG-CE1 3.59Å; W550-F581 HydrophobicContact CG-CE1 3.59Å; W550-F581 AromaticContact CG-CZ 3.83Å; W550-F581 HydrophobicContact CG-CZ 3.83Å; L576-F581 PolarHBondContact O-N 2.93Å; Y577-F581 AromaticContact CD2-CD1 3.91Å; Y577-F581 HydrophobicContact CD2-CD1 3.91Å; Y577-F581 AromaticContact CE2-CD1 3.71Å; Y577-F581 HydrophobicContact CE2-CD1 3.71Å; Y577-F581 AromaticContact CE2-CE1 4Å; Y577-F581 HydrophobicContact CE2-CE1 4Å; F581-P583 HydrophobicContact CE1-CB 4.23Å; F581-P583 HydrophobicContact CE1-CG 4.1Å; F581-P583 HydrophobicContact CE2-CB 4.35Å; F581-P583 HydrophobicContact CZ-CB 3.72Å; F581-P583 HydrophobicContact CZ-CG 4.09Å; F581-G621 VanDerWaalsContact CE2-C 3.41Å; F581-G621 VanDerWaalsContact CE2-O 3.25Å; F581-G621 WeakPolarHBondContact CE2-O 3.3Å; F581-W622 HydrophobicContact CB-CE3 3.97Å; F581-W622 HydrophobicContact CB-CZ3 3.56Å; F581-W622 AromaticContact CD1-CE3 3.72Å; F581-W622 HydrophobicContact CD1-CE3 3.72Å; F581-W622 AromaticContact CD1-CZ3 3.97Å; F581-W622 HydrophobicContact CD1-CZ3 3.97Å; F581-W622 AromaticContact CD2-CE3 3.92Å; F581-W622 HydrophobicContact CD2-CE3 3.92Å; F581-W622 HydrophobicContact CD2-CZ3 4.38Å; F581-W622 HydrophobicContact CE1-CE3 4.18Å; F581-W622 HydrophobicContact CE2-CE3 4.38Å; F581-W622 AromaticContact CG-CE3 3.57Å; F581-W622 HydrophobicContact CG-CE3 3.57Å; F581-W622 AromaticContact CG-CZ3 3.71Å; F581-W622 HydrophobicContact CG-CZ3 3.71Å; F581-W622 HydrophobicContact CZ-CE3 4.48Å; F581-P645 HydrophobicContact CD2-CG 4.1Å; F581-P645 HydrophobicContact CE2-CG 3.93Å
582	R	78	Confident	77	Confident	142 Å²	142	35.5 Å²	35.5	54%	0.536	18%	0.18	S	C	.	.			trans	-129	101	174.8	-65.6	-170.4	-177.3	-164.2	-0.1	109.5	H580 P645 T646	H580-R582 PolarHBondContact O-N 3.05Å; R582-P645 PolarHBondContact N-O 2.94Å; R582-T646 WeakPolarHBondContact CD-O 3.45Å
583	P	84.1	Confident	76.6	Confident	10 Å²	10	32.5 Å²	32.5	7%	0.065	17%	0.167	C	C	.	.			trans	-63.8	148.8	171.4	29	-32.6	0	0	0	109	K471 T473 W550 F581 T620	K471-P583 HydrophobicContact CB-CG 4.27Å; T473-P583 VanDerWaalsContact CG2-C 3.49Å; T473-P583 HydrophobicContact CG2-CB 3.58Å; T473-P583 HydrophobicContact CG2-CG 3.82Å; T473-P583 WeakPolarHBondContact CG2-O 3.2Å; W550-P583 HydrophobicContact CD2-CB 4.1Å; W550-P583 HydrophobicContact CD2-CG 4.43Å; W550-P583 HydrophobicContact CE3-CB 3.91Å; W550-P583 HydrophobicContact CH2-CB 3.59Å; W550-P583 HydrophobicContact CH2-CG 4.12Å; W550-P583 HydrophobicContact CZ2-CB 3.77Å; W550-P583 HydrophobicContact CZ2-CG 3.78Å; W550-P583 HydrophobicContact CZ3-CB 3.67Å; F581-P583 HydrophobicContact CE1-CB 4.23Å; F581-P583 HydrophobicContact CE1-CG 4.1Å; F581-P583 HydrophobicContact CE2-CB 4.35Å; F581-P583 HydrophobicContact CZ-CB 3.72Å; F581-P583 HydrophobicContact CZ-CG 4.09Å; P583-T620 WeakPolarHBondContact CA-O 3.27Å
584	S	83.7	Confident	75.5	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.014	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	147.2	-178.8	75.6	0	0	0	0	111.8	S619 T620 P649	S584-S619 CarbonylContact O-C 3.56Å; S584-S619 WeakPolarHBondContact O-CA 3.38Å; S584-T620 PolarHBondContact N-O 2.73Å; S584-T620 PolarHBondContact N-OG1 3.16Å; S584-T620 VanDerWaalsContact N-OG1 3.09Å; S584-T620 PolarHBondContact O-N 3.21Å; S584-T620 PolarHBondContact OG-OG1 3.21Å; S584-P649 WeakPolarHBondContact OG-CD 3.23Å
585	L	85.6	Confident	74.4	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.1	171.6	-176.9	68	0	0	0	108.2	R285 V476 L525 I531 L617	R285-L585 PolarHBondContact NH1-O 3.46Å; R285-L585 VanDerWaalsContact NH1-O 3.08Å; V476-L585 HydrophobicContact CB-CD2 4.29Å; V476-L585 HydrophobicContact CG2-CB 4.09Å; V476-L585 HydrophobicContact CG2-CD2 3.84Å; V476-L585 HydrophobicContact CG2-CG 3.72Å; V476-L585 VanDerWaalsContact CG2-O 3.26Å; V476-L585 WeakPolarHBondContact CG2-O 3.47Å; L525-L585 HydrophobicContact CB-CB 4.2Å; L525-L585 HydrophobicContact CB-CD1 4.31Å; L525-L585 HydrophobicContact CB-CD2 3.87Å; L525-L585 HydrophobicContact CB-CG 4.34Å; L525-L585 HydrophobicContact CD2-CB 4.06Å; L525-L585 HydrophobicContact CD2-CD1 4.42Å; I531-L585 HydrophobicContact CD1-CD1 4.23Å; L585-L617 HydrophobicContact CD1-CD2 4.36Å
586	T	83.1	Confident	72.8	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	132.3	-176.2	62	0	0	0	0	111.4	I588 L617 V618 Q648 P649	T586-I588 WeakPolarHBondContact OG1-CD1 3.42Å; T586-L617 CarbonylContact O-C 3.58Å; T586-L617 WeakPolarHBondContact O-CA 3.3Å; T586-V618 PolarHBondContact N-O 3.48Å; T586-V618 PolarHBondContact O-N 3.18Å; T586-V618 PolarHBondContact OG1-O 2.91Å; T586-Q648 VanDerWaalsContact CG2-CD 3.42Å; T586-Q648 HydrophobicContact CG2-CG 3.24Å; T586-P649 HydrophobicContact CG2-CG 3.99Å
587	A	82.5	Confident	70.9	Confident	29 Å²	29	36.7 Å²	36.7	24%	0.24	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.5	169.5	0	0	0	0	0	109.7	V476 V478 L616 L617	V476-A587 HydrophobicContact CG1-CB 3.58Å; V478-A587 HydrophobicContact CG2-CB 3.59Å; A587-L616 WeakPolarHBondContact CA-O 3.34Å; A587-L617 HydrophobicContact CB-CD2 3.99Å
588	I	78.4	Confident	68.8	Low	21 Å²	21	42.1 Å²	42.1	11%	0.108	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	143	-174.6	-59.9	161.5	0	0	0	108	T586 L590 L616 V618 V651 L672	T586-I588 WeakPolarHBondContact OG1-CD1 3.42Å; I588-L590 HydrophobicContact CG2-CD2 3.57Å; I588-L590 HydrophobicContact CG2-CG 3.72Å; I588-L616 PolarHBondContact N-O 2.91Å; I588-L616 CarbonylContact O-C 3.58Å; I588-L616 WeakPolarHBondContact O-CA 2.91Å; I588-L616 PolarHBondContact O-N 3.15Å; I588-V618 HydrophobicContact CD1-CB 4.05Å; I588-V618 HydrophobicContact CD1-CG2 3.55Å; I588-V618 HydrophobicContact CG1-CG2 4.48Å; I588-V651 HydrophobicContact CB-CG2 4.09Å; I588-V651 HydrophobicContact CD1-CG2 3.17Å; I588-V651 HydrophobicContact CG1-CG2 3.55Å; I588-V651 HydrophobicContact CG2-CB 4.16Å; I588-V651 HydrophobicContact CG2-CG1 3.86Å; I588-V651 HydrophobicContact CG2-CG2 3.38Å; I588-L672 HydrophobicContact CD1-CD1 3.86Å
589	N	76.5	Confident	66.8	Low	85 Å²	85	43.3 Å²	43.3	46%	0.455	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	112.2	166.1	-56.9	-28.5	0	0	0	107.8	I614 R630	N589-I614 WeakPolarHBondContact CA-O 3.39Å; N589-R630 PolarHBondContact OD1-NH1 2.81Å
590	L	71.3	Confident	65.1	Low	2 Å²	2	46.3 Å²	46.3	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	144	177.9	-61.2	173.3	0	0	0	110	I588 I614 L616 V651 T670	I588-L590 HydrophobicContact CG2-CD2 3.57Å; I588-L590 HydrophobicContact CG2-CG 3.72Å; L590-I614 PolarHBondContact N-O 3.26Å; L590-I614 PolarHBondContact O-N 2.88Å; L590-L616 HydrophobicContact CB-CD1 3.66Å; L590-L616 HydrophobicContact CD1-CD1 3.73Å; L590-L616 HydrophobicContact CG-CD1 3.94Å; L590-V651 HydrophobicContact CD2-CG1 3.75Å; L590-V651 HydrophobicContact CD2-CG2 4.48Å; L590-T670 VanDerWaalsContact CA-OG1 3.24Å; L590-T670 WeakPolarHBondContact CA-OG1 3.32Å; L590-T670 VanDerWaalsContact CB-OG1 3.26Å; L590-T670 WeakPolarHBondContact CB-OG1 3.31Å; L590-T670 HydrophobicContact CD2-CG2 4.06Å; L590-T670 WeakPolarHBondContact CD2-OG1 3.47Å
591	A	69.4	Low	63.1	Low	1 Å²	1	51.9 Å²	51.9	1%	0.008	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-93.1	134.4	165	0	0	0	0	0	109.6	I611 T613 V668 T670	A591-I611 HydrophobicContact CB-CG2 4.24Å; A591-T613 HydrophobicContact CB-CG2 4.38Å; A591-V668 VanDerWaalsContact CB-O 3.26Å; A591-V668 WeakPolarHBondContact CB-O 3.43Å; A591-T670 PolarHBondContact N-OG1 3.27Å; A591-T670 VanDerWaalsContact N-OG1 3.09Å
592	S	68.5	Low	60.8	Low	7 Å²	7	54.1 Å²	54.1	5%	0.049	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-81.1	139.7	179.2	74.4	0	0	0	0	111.8	Q595	S592-Q595 PolarHBondContact OG-OE1 3Å
593	L	64.1	Low	58.7	Low	3 Å²	3	55.2 Å²	55.2	2%	0.016	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-78.6	128	171.4	-83.2	135.5	0	0	0	109.8	L87 E88 P669 A684 L685 V686 Q687	L87-L593 HydrophobicContact CD2-CD1 4.32Å; E88-L593 HydrophobicContact CG-CD2 3.38Å; L593-P669 HydrophobicContact CG-CB 4.45Å; L593-A684 HydrophobicContact CD1-CB 3.52Å; L593-L685 PolarHBondContact N-O 2.89Å; L593-V686 HydrophobicContact CB-CG2 4.41Å; L593-Q687 PolarHBondContact O-N 2.8Å
594	G	53.3	Low	56.4	Low	17 Å²	17	62.9 Å²	62.9	18%	0.175	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	116.3	-11.6	177.7	0	0	0	0	0	116.2	M92 G596 F597	M92-G594 VanDerWaalsContact CE-CA 3.46Å; G594-G596 VanDerWaalsContact C-N 3.32Å; G594-G596 PolarHBondContact O-N 2.69Å; G594-F597 PolarHBondContact O-N 3.3Å
595	Q	52.3	Low	53.9	Low	41 Å²	41	68.1 Å²	68.1	19%	0.192	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-28.5	179.5	-104.1	164.4	3.2	0	0	114.1	S592 F597 F598 Q687	S592-Q595 PolarHBondContact OG-OE1 3Å; Q595-F597 PolarHBondContact O-N 2.86Å; Q595-F598 PolarHBondContact O-N 3.26Å; Q595-Q687 VanDerWaalsContact CG-OE1 3.24Å
596	G	41.4	Very low	51.4	Low	49 Å²	49	77.6 Å²	77.6	51%	0.505	41%	0.411	S	S	.	.	H	α-helix	trans	-60.2	-31.9	178	0	0	0	0	0	113.7	G594 F598 H599	G594-G596 VanDerWaalsContact C-N 3.32Å; G594-G596 PolarHBondContact O-N 2.69Å; G596-F598 VanDerWaalsContact C-N 3.29Å; G596-F598 PolarHBondContact O-N 3.08Å; G596-H599 PolarHBondContact O-N 3.03Å
597	F	36.2	Very low	49	Very low	168 Å²	168	84.1 Å²	84.1	74%	0.737	45%	0.445	S	S	*	.	H	α-helix	trans	-67.7	-26.2	-178.4	-113.8	-83.6	0	0	0	113.7	G594 Q595	G594-F597 PolarHBondContact O-N 3.3Å; Q595-F597 PolarHBondContact O-N 2.86Å
598	F	35.5	Very low	46.7	Very low	115 Å²	115	90.3 Å²	90.3	50%	0.504	47%	0.466	S	S	.	.	H	α-helix	trans	-87.8	-17.2	178.1	-82.1	-81.2	0	0	0	113.2	Q595 G596 D600 L601 L689	Q595-F598 PolarHBondContact O-N 3.26Å; G596-F598 VanDerWaalsContact C-N 3.29Å; G596-F598 PolarHBondContact O-N 3.08Å; F598-D600 VanDerWaalsContact C-N 3.31Å; F598-D600 PolarHBondContact O-N 2.85Å; F598-L601 PolarHBondContact O-N 2.81Å; F598-L689 HydrophobicContact CE1-CD1 4.07Å; F598-L689 HydrophobicContact CE2-CD1 3.86Å; F598-L689 HydrophobicContact CZ-CD1 3.33Å
599	H	35.1	Very low	44.8	Very low	96 Å²	96	94.1 Å²	94.1	44%	0.444	49%	0.492	S	S	.	.	H	α-helix	trans	-69.6	-29.5	-179.7	-114.7	-50.9	0	0	0	112.6	G596 L601 S602	G596-H599 PolarHBondContact O-N 3.03Å; H599-L601 PolarHBondContact O-N 3.4Å; H599-S602 PolarHBondContact ND1-OG 3.23Å; H599-S602 PolarHBondContact O-N 3.39Å; H599-S602 VanDerWaalsContact O-N 3.16Å; H599-S602 PolarHBondContact O-OG 3.37Å
600	D	34.5	Very low	43.1	Very low	162 Å²	162	94.1 Å²	94.1	87%	0.866	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-18.7	174.4	-88.2	-11.7	0	0	0	113.6	F598	F598-D600 VanDerWaalsContact C-N 3.31Å; F598-D600 PolarHBondContact O-N 2.85Å
601	L	31.5	Very low	42	Very low	138 Å²	138	96.2 Å²	96.2	72%	0.723	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-6.7	174.7	-85.5	150.2	0	0	0	113.2	F598 H599 L603	F598-L601 PolarHBondContact O-N 2.81Å; H599-L601 PolarHBondContact O-N 3.4Å; L601-L603 PolarHBondContact O-N 2.87Å
602	S	32.9	Very low	41.4	Very low	47 Å²	47	99.5 Å²	99.5	33%	0.329	53%	0.527	S	S	.	.			trans	-78	106.7	175.9	69.6	0	0	0	0	110.2	H599 F604	H599-S602 PolarHBondContact ND1-OG 3.23Å; H599-S602 PolarHBondContact O-N 3.39Å; H599-S602 VanDerWaalsContact O-N 3.16Å; H599-S602 PolarHBondContact O-OG 3.37Å; S602-F604 PolarHBondContact O-N 3.25Å
603	L	33.7	Very low	41.3	Very low	165 Å²	165	102 Å²	102	86%	0.864	54%	0.542	S	S	*	.	S	Bend	trans	-57.8	-2.6	172.8	-89.3	156.1	0	0	0	114.2	L601	L601-L603 PolarHBondContact O-N 2.87Å
604	F	34.3	Very low	41.7	Very low	171 Å²	171	103 Å²	103	75%	0.75	55%	0.547	S	S	*	.			trans	-113.6	64.1	-179.9	-61.2	-75.2	0	0	0	110.8	S602 K606	S602-F604 PolarHBondContact O-N 3.25Å; F604-K606 PolarHBondContact O-N 3.34Å
605	S	31.8	Very low	43	Very low	112 Å²	112	103.4 Å²	103.4	78%	0.783	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	17.9	-178.1	61.3	0	0	0	0	116
606	K	32.8	Very low	44.5	Very low	200 Å²	200	101.5 Å²	101.5	87%	0.87	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-2.8	-176.9	-82.5	-172.8	176.7	179.9	0	115.4	F604	F604-K606 PolarHBondContact O-N 3.34Å
607	I	32.4	Very low	46.7	Very low	138 Å²	138	99.1 Å²	99.1	71%	0.708	51%	0.514	S	S	*	.	S	Bend	trans	-95.9	121.1	177.6	-56	175.2	0	0	0	107.9
608	K	35	Very low	49.1	Very low	159 Å²	159	91.1 Å²	91.1	69%	0.691	48%	0.479	S	S	*	.			trans	-45.7	143.1	-175.5	-75.3	179.8	174.7	-176.4	0	112.2	T610	K608-T610 VanDerWaalsContact C-N 3.34Å; K608-T610 PolarHBondContact O-N 2.8Å
609	P	38	Very low	51.7	Low	100 Å²	100	85.7 Å²	85.7	65%	0.649	46%	0.455	S	S	*	.			trans	-80.7	80.4	-172.9	34.6	-32.9	0	0	0	110.1
610	T	40.5	Very low	54.3	Low	86 Å²	86	81.1 Å²	81.1	53%	0.528	43%	0.434	S	S	.	.			trans	-98.2	103.9	165.1	49.6	0	0	0	0	107.8	K608 P612	K608-T610 VanDerWaalsContact C-N 3.34Å; K608-T610 PolarHBondContact O-N 2.8Å; T610-P612 VanDerWaalsContact O-CD 3.23Å; T610-P612 WeakPolarHBondContact O-CD 2.91Å
611	I	49.6	Very low	56.8	Low	45 Å²	45	73.4 Å²	73.4	23%	0.231	39%	0.392	C	S	.	.			trans	-60.7	110.6	171.7	-60.9	163.2	0	0	0	106.6	A591 T613 N667	A591-I611 HydrophobicContact CB-CG2 4.24Å; I611-T613 PolarHBondContact O-N 2.8Å; I611-T613 VanDerWaalsContact O-N 3.08Å; I611-N667 HydrophobicContact CB-CB 3.84Å; I611-N667 WeakPolarHBondContact O-CB 3.11Å; I611-N667 PolarHBondContact O-ND2 3.18Å
612	P	57.1	Low	59.4	Low	70 Å²	70	68.2 Å²	68.2	46%	0.455	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-61.6	119.7	-171.6	23.6	-31.6	0	0	0	109.9	T610 I614	T610-P612 VanDerWaalsContact O-CD 3.23Å; T610-P612 WeakPolarHBondContact O-CD 2.91Å; P612-I614 PolarHBondContact O-N 3.32Å
613	T	65.5	Low	62	Low	60 Å²	60	69.2 Å²	69.2	37%	0.368	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-71.7	126.5	170.7	46.4	0	0	0	0	108	A591 I611 N667	A591-T613 HydrophobicContact CB-CG2 4.38Å; I611-T613 PolarHBondContact O-N 2.8Å; I611-T613 VanDerWaalsContact O-N 3.08Å; T613-N667 HydrophobicContact CG2-CB 4.25Å
614	I	73.3	Confident	64.7	Low	23 Å²	23	61.6 Å²	61.6	12%	0.118	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124.8	178.7	-51	176.1	0	0	0	106.6	F18 N589 L590 P612 L616 L636	F18-I614 HydrophobicContact CE1-CD1 3.61Å; F18-I614 HydrophobicContact CZ-CD1 3.66Å; N589-I614 WeakPolarHBondContact CA-O 3.39Å; L590-I614 PolarHBondContact N-O 3.26Å; L590-I614 PolarHBondContact O-N 2.88Å; P612-I614 PolarHBondContact O-N 3.32Å; I614-L616 HydrophobicContact CB-CD1 4.41Å; I614-L616 HydrophobicContact CB-CD2 4.19Å; I614-L616 HydrophobicContact CB-CG 4.18Å; I614-L616 HydrophobicContact CG2-CD2 3.51Å; I614-L616 HydrophobicContact CG2-CG 3.99Å; I614-L616 WeakPolarHBondContact O-CG 3.45Å; I614-L616 PolarHBondContact O-N 3.13Å; I614-L636 HydrophobicContact CG2-CD1 4.37Å
615	P	80.1	Confident	67.4	Low	27 Å²	27	53.5 Å²	53.5	18%	0.175	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	116.7	173.2	31	-33.7	0	0	0	109.5	R630 T631	P615-R630 HydrophobicContact CB-CB 4.06Å; P615-R630 VanDerWaalsContact CB-CZ 3.44Å; P615-R630 VanDerWaalsContact CB-NH2 3.29Å; P615-R630 HydrophobicContact CG-CB 4.49Å; P615-R630 VanDerWaalsContact O-CB 3.26Å; P615-R630 WeakPolarHBondContact O-CB 3.37Å; P615-R630 PolarHBondContact O-N 3.05Å; P615-T631 HydrophobicContact CG-CG2 3.86Å
616	L	84.3	Confident	70.1	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	152.2	-170.9	-61	172	0	0	0	111.9	A587 I588 L590 I614 V627 V628 L636 L685	A587-L616 WeakPolarHBondContact CA-O 3.34Å; I588-L616 PolarHBondContact N-O 2.91Å; I588-L616 CarbonylContact O-C 3.58Å; I588-L616 WeakPolarHBondContact O-CA 2.91Å; I588-L616 PolarHBondContact O-N 3.15Å; L590-L616 HydrophobicContact CB-CD1 3.66Å; L590-L616 HydrophobicContact CD1-CD1 3.73Å; L590-L616 HydrophobicContact CG-CD1 3.94Å; I614-L616 HydrophobicContact CB-CD1 4.41Å; I614-L616 HydrophobicContact CB-CD2 4.19Å; I614-L616 HydrophobicContact CB-CG 4.18Å; I614-L616 HydrophobicContact CG2-CD2 3.51Å; I614-L616 HydrophobicContact CG2-CG 3.99Å; I614-L616 WeakPolarHBondContact O-CG 3.45Å; I614-L616 PolarHBondContact O-N 3.13Å; L616-V627 HydrophobicContact CB-CG1 4.01Å; L616-V627 HydrophobicContact CD1-CG1 3.77Å; L616-V627 HydrophobicContact CD2-CG1 3.87Å; L616-V627 HydrophobicContact CG-CG1 4.08Å; L616-V628 CarbonylContact C-O 3.37Å; L616-V628 WeakPolarHBondContact CA-O 3.07Å; L616-L636 HydrophobicContact CD2-CD1 3.25Å; L616-L636 HydrophobicContact CD2-CG 4.38Å; L616-L685 HydrophobicContact CD1-CD2 3.78Å
617	L	86.8	Confident	72.9	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.9	165.7	-74.4	159.3	0	0	0	107.9	Y523 I531 W542 L585 T586 A587 V627 V628 R630	Y523-L617 HydrophobicContact CD1-CD1 3.42Å; Y523-L617 VanDerWaalsContact CD1-CD1 3.42Å; Y523-L617 HydrophobicContact CD2-CD1 4.08Å; Y523-L617 HydrophobicContact CD2-CD2 3.85Å; Y523-L617 HydrophobicContact CE1-CD1 3.7Å; Y523-L617 HydrophobicContact CE2-CD1 4.32Å; Y523-L617 HydrophobicContact CE2-CD2 4.41Å; Y523-L617 HydrophobicContact CG-CD1 3.63Å; Y523-L617 HydrophobicContact CG-CD2 3.96Å; Y523-L617 HydrophobicContact CG-CG 4.44Å; I531-L617 HydrophobicContact CG2-CD1 4.49Å; W542-L617 HydrophobicContact CH2-CD1 3.68Å; W542-L617 HydrophobicContact CZ2-CD1 4Å; L585-L617 HydrophobicContact CD1-CD2 4.36Å; T586-L617 CarbonylContact O-C 3.58Å; T586-L617 WeakPolarHBondContact O-CA 3.3Å; A587-L617 HydrophobicContact CB-CD2 3.99Å; L617-V627 CarbonylContact O-C 3.53Å; L617-V627 WeakPolarHBondContact O-CA 3.38Å; L617-V628 HydrophobicContact CB-CB 4.37Å; L617-V628 PolarHBondContact N-O 3.37Å; L617-V628 PolarHBondContact O-N 3.23Å; L617-R630 HydrophobicContact CD1-CB 4.48Å; L617-R630 HydrophobicContact CD1-CG 4.28Å; L617-R630 HydrophobicContact CG-CB 4.48Å; L617-R630 HydrophobicContact CG-CG 4.42Å
618	V	87.5	Confident	75.5	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.3	174.8	-173.8	0	0	0	0	108.2	T586 I588 V625 G626 V627 P649 L672	T586-V618 PolarHBondContact N-O 3.48Å; T586-V618 PolarHBondContact O-N 3.18Å; T586-V618 PolarHBondContact OG1-O 2.91Å; I588-V618 HydrophobicContact CD1-CB 4.05Å; I588-V618 HydrophobicContact CD1-CG2 3.55Å; I588-V618 HydrophobicContact CG1-CG2 4.48Å; V618-V625 HydrophobicContact CG1-CG2 3.87Å; V618-G626 WeakPolarHBondContact CA-O 3.39Å; V618-V627 HydrophobicContact CG1-CG2 4.35Å; V618-V627 HydrophobicContact CG2-CG2 4.12Å; V618-P649 HydrophobicContact CB-CG 4.49Å; V618-P649 HydrophobicContact CG1-CB 4.45Å; V618-P649 HydrophobicContact CG1-CG 4.04Å; V618-L672 HydrophobicContact CB-CD1 4.47Å; V618-L672 HydrophobicContact CG1-CD1 4.07Å; V618-L672 HydrophobicContact CG1-CD2 3.78Å; V618-L672 HydrophobicContact CG2-CD1 3.99Å
619	S	90.2	Very high	77.9	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	141.4	174.9	55.3	0	0	0	0	110.8	V548 S584 V625 G626	V548-S619 WeakPolarHBondContact CG2-OG 3.42Å; S584-S619 CarbonylContact O-C 3.56Å; S584-S619 WeakPolarHBondContact O-CA 3.38Å; S619-V625 WeakPolarHBondContact O-CA 3.14Å; S619-G626 PolarHBondContact N-O 3.39Å; S619-G626 PolarHBondContact O-N 2.93Å
620	T	88.1	Confident	80.1	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.8	173.3	62.4	0	0	0	0	110.7	P583 S584 V625 P649 V674	P583-T620 WeakPolarHBondContact CA-O 3.27Å; S584-T620 PolarHBondContact N-O 2.73Å; S584-T620 PolarHBondContact N-OG1 3.16Å; S584-T620 VanDerWaalsContact N-OG1 3.09Å; S584-T620 PolarHBondContact O-N 3.21Å; S584-T620 PolarHBondContact OG-OG1 3.21Å; T620-V625 HydrophobicContact CG2-CG2 4.21Å; T620-P649 HydrophobicContact CG2-CG 4.15Å; T620-V674 HydrophobicContact CG2-CG1 4.45Å
621	G	86.6	Confident	82	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.115	C	C	.	.			trans	-122.4	-165.7	-176.3	0	0	0	0	0	110	F581 D623 S624 P645	F581-G621 VanDerWaalsContact CE2-C 3.41Å; F581-G621 VanDerWaalsContact CE2-O 3.25Å; F581-G621 WeakPolarHBondContact CE2-O 3.3Å; G621-D623 VanDerWaalsContact C-N 3.34Å; G621-D623 PolarHBondContact O-N 3.32Å; G621-S624 PolarHBondContact N-O 2.72Å; G621-P645 WeakPolarHBondContact O-CD 3.49Å; G621-P645 WeakPolarHBondContact O-CG 3.36Å
622	W	86.4	Confident	83.4	Confident	29 Å²	29	23.7 Å²	23.7	11%	0.11	13%	0.132	C	C	.	.	S	Bend	trans	-57.9	-46.2	-173	179.2	-107.9	0	0	0	113.2	W550 V553 L576 Y577 F581 Q644 P645	W550-W622 HydrophobicContact CB-CB 3.93Å; V553-W622 HydrophobicContact CB-CD2 4.32Å; V553-W622 HydrophobicContact CG1-CD2 4.16Å; V553-W622 HydrophobicContact CG1-CE3 4.24Å; V553-W622 HydrophobicContact CG1-CH2 4.05Å; V553-W622 HydrophobicContact CG1-CZ2 3.97Å; V553-W622 HydrophobicContact CG1-CZ3 4.2Å; V553-W622 HydrophobicContact CG2-CB 4.41Å; V553-W622 HydrophobicContact CG2-CD2 3.85Å; V553-W622 HydrophobicContact CG2-CG 3.72Å; L576-W622 HydrophobicContact CB-CH2 4.35Å; Y577-W622 AromaticContact CD2-CE3 3.88Å; Y577-W622 HydrophobicContact CD2-CE3 3.88Å; Y577-W622 HydrophobicContact CD2-CH2 4.16Å; Y577-W622 AromaticContact CD2-CZ3 3.45Å; Y577-W622 HydrophobicContact CD2-CZ3 3.45Å; Y577-W622 VanDerWaalsContact CD2-CZ3 3.45Å; Y577-W622 HydrophobicContact CE2-CE3 4.38Å; Y577-W622 HydrophobicContact CE2-CZ3 4.35Å; Y577-W622 HydrophobicContact CG-CZ3 4.21Å; F581-W622 HydrophobicContact CB-CE3 3.97Å; F581-W622 HydrophobicContact CB-CZ3 3.56Å; F581-W622 AromaticContact CD1-CE3 3.72Å; F581-W622 HydrophobicContact CD1-CE3 3.72Å; F581-W622 AromaticContact CD1-CZ3 3.97Å; F581-W622 HydrophobicContact CD1-CZ3 3.97Å; F581-W622 AromaticContact CD2-CE3 3.92Å; F581-W622 HydrophobicContact CD2-CE3 3.92Å; F581-W622 HydrophobicContact CD2-CZ3 4.38Å; F581-W622 HydrophobicContact CE1-CE3 4.18Å; F581-W622 HydrophobicContact CE2-CE3 4.38Å; F581-W622 AromaticContact CG-CE3 3.57Å; F581-W622 HydrophobicContact CG-CE3 3.57Å; F581-W622 AromaticContact CG-CZ3 3.71Å; F581-W622 HydrophobicContact CG-CZ3 3.71Å; F581-W622 HydrophobicContact CZ-CE3 4.48Å; W622-Q644 HydrophobicContact CD2-CG 3.9Å; W622-Q644 HydrophobicContact CE3-CG 3.94Å; W622-Q644 HydrophobicContact CH2-CG 3.75Å; W622-Q644 HydrophobicContact CZ2-CG 3.69Å; W622-Q644 HydrophobicContact CZ3-CG 3.84Å; W622-Q644 WeakPolarHBondContact O-CA 3.45Å; W622-P645 WeakPolarHBondContact O-CD 3.34Å
623	D	88.8	Confident	84.5	Confident	69 Å²	69	20.7 Å²	20.7	37%	0.369	11%	0.114	S	C	.	.	S	Bend	trans	-138.5	19.7	-174.7	68.7	-26.6	0	0	0	112.2	G621 R640 L641	G621-D623 VanDerWaalsContact C-N 3.34Å; G621-D623 PolarHBondContact O-N 3.32Å; D623-R640 CarbonylContact O-C 3.54Å; D623-R640 VanDerWaalsContact O-CA 3.31Å; D623-R640 WeakPolarHBondContact O-CA 3.49Å; D623-L641 PolarHBondContact O-N 2.83Å
624	S	90.1	Very high	85.4	Confident	5 Å²	5	23 Å²	23	4%	0.035	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	153.6	-176.2	64.9	0	0	0	0	113.1	E547 V548 G621 H639	E547-S624 PolarHBondContact O-OG 3.43Å; V548-S624 WeakPolarHBondContact CA-OG 3.37Å; G621-S624 PolarHBondContact N-O 2.72Å; S624-H639 WeakPolarHBondContact CA-O 3.45Å
625	V	90.7	Very high	85.9	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.9	170	61.8	0	0	0	0	108.4	V618 S619 T620 A638 H639 L641 L672 V674 F683	V618-V625 HydrophobicContact CG1-CG2 3.87Å; S619-V625 WeakPolarHBondContact O-CA 3.14Å; T620-V625 HydrophobicContact CG2-CG2 4.21Å; V625-A638 CarbonylContact O-C 3.56Å; V625-A638 VanDerWaalsContact O-CA 3.3Å; V625-A638 WeakPolarHBondContact O-CA 2.84Å; V625-H639 HydrophobicContact CG1-CB 4.02Å; V625-H639 PolarHBondContact N-O 2.77Å; V625-H639 PolarHBondContact O-N 3.42Å; V625-L641 HydrophobicContact CB-CD1 4.41Å; V625-L641 HydrophobicContact CB-CD2 4.33Å; V625-L641 HydrophobicContact CB-CG 4.45Å; V625-L641 HydrophobicContact CG1-CD2 3.95Å; V625-L641 HydrophobicContact CG1-CG 4.4Å; V625-L672 HydrophobicContact CG2-CD2 4.18Å; V625-V674 HydrophobicContact CG2-CG2 4.31Å; V625-F683 HydrophobicContact CG1-CE2 4.31Å; V625-F683 HydrophobicContact CG1-CZ 4.28Å
626	G	89.4	Confident	86.1	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	148.6	-179.4	0	0	0	0	0	111.1	V618 S619	V618-G626 WeakPolarHBondContact CA-O 3.39Å; S619-G626 PolarHBondContact N-O 3.39Å; S619-G626 PolarHBondContact O-N 2.93Å
627	V	89.6	Confident	86.2	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120.5	178.2	177.8	0	0	0	0	109	L20 L616 L617 V618 L636 A637	L20-V627 HydrophobicContact CD1-CB 4.17Å; L20-V627 HydrophobicContact CD1-CG2 3.53Å; L20-V627 HydrophobicContact CD2-CG2 4.17Å; L20-V627 HydrophobicContact CG-CG2 4.25Å; L616-V627 HydrophobicContact CB-CG1 4.01Å; L616-V627 HydrophobicContact CD1-CG1 3.77Å; L616-V627 HydrophobicContact CD2-CG1 3.87Å; L616-V627 HydrophobicContact CG-CG1 4.08Å; L617-V627 CarbonylContact O-C 3.53Å; L617-V627 WeakPolarHBondContact O-CA 3.38Å; V618-V627 HydrophobicContact CG1-CG2 4.35Å; V618-V627 HydrophobicContact CG2-CG2 4.12Å; V627-L636 PolarHBondContact O-N 3.26Å; V627-A637 PolarHBondContact N-O 3.5Å; V627-A637 PolarHBondContact O-N 3.09Å
628	V	88.5	Confident	86.2	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	139.1	-178.2	175.8	0	0	0	0	109.4	I531 W542 V544 L616 L617 R630 L635	I531-V628 HydrophobicContact CD1-CG2 3.98Å; W542-V628 HydrophobicContact CH2-CG1 3.94Å; W542-V628 HydrophobicContact CZ3-CG1 4.2Å; V544-V628 HydrophobicContact CG1-CG1 3.86Å; V544-V628 HydrophobicContact CG1-CG2 4.05Å; L616-V628 CarbonylContact C-O 3.37Å; L616-V628 WeakPolarHBondContact CA-O 3.07Å; L617-V628 HydrophobicContact CB-CB 4.37Å; L617-V628 PolarHBondContact N-O 3.37Å; L617-V628 PolarHBondContact O-N 3.23Å; V628-R630 PolarHBondContact O-N 3.47Å; V628-L635 HydrophobicContact CG2-CD1 3.74Å
629	D	85.4	Confident	86.3	Confident	20 Å²	20	29.2 Å²	29.2	11%	0.107	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	125	171.5	-174.1	-3.9	0	0	0	110.6	T631 G633 K634 L636	D629-T631 VanDerWaalsContact C-N 3.33Å; D629-T631 PolarHBondContact O-N 3.38Å; D629-T631 PolarHBondContact OD1-N 3.03Å; D629-T631 VanDerWaalsContact OD1-N 3.14Å; D629-T631 PolarHBondContact OD1-OG1 3.45Å; D629-T631 PolarHBondContact OD2-OG1 3.43Å; D629-G633 WeakPolarHBondContact O-CA 3.23Å; D629-G633 PolarHBondContact O-N 3.32Å; D629-K634 HydrophobicContact CB-CB 4.48Å; D629-K634 PolarHBondContact N-O 3.48Å; D629-L636 HydrophobicContact CB-CD1 4.15Å; D629-L636 HydrophobicContact CB-CD2 4.09Å; D629-L636 HydrophobicContact CB-CG 4.05Å
630	R	84	Confident	86.2	Confident	28 Å²	28	38.5 Å²	38.5	11%	0.106	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-31.5	-175.9	-170.3	172.4	72.7	-143.6	-1.2	112.7	Y523 W542 N589 P615 L617 V628	Y523-R630 HydrophobicContact CE1-CG 4.12Å; Y523-R630 HydrophobicContact CE2-CG 3.86Å; Y523-R630 WeakPolarHBondContact OH-CD 3.2Å; Y523-R630 WeakPolarHBondContact OH-CG 3.09Å; W542-R630 WeakPolarHBondContact CZ2-O 2.95Å; W542-R630 PolarHBondContact NE1-O 2.93Å; N589-R630 PolarHBondContact OD1-NH1 2.81Å; P615-R630 HydrophobicContact CB-CB 4.06Å; P615-R630 VanDerWaalsContact CB-CZ 3.44Å; P615-R630 VanDerWaalsContact CB-NH2 3.29Å; P615-R630 HydrophobicContact CG-CB 4.49Å; P615-R630 VanDerWaalsContact O-CB 3.26Å; P615-R630 WeakPolarHBondContact O-CB 3.37Å; P615-R630 PolarHBondContact O-N 3.05Å; L617-R630 HydrophobicContact CD1-CB 4.48Å; L617-R630 HydrophobicContact CD1-CG 4.28Å; L617-R630 HydrophobicContact CG-CB 4.48Å; L617-R630 HydrophobicContact CG-CG 4.42Å; V628-R630 PolarHBondContact O-N 3.47Å
631	T	79.6	Confident	86.1	Confident	56 Å²	56	39.1 Å²	39.1	34%	0.344	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-38	-175.2	56.5	0	0	0	0	112.1	P483 P615 D629	P483-T631 HydrophobicContact CG-CG2 4.16Å; P615-T631 HydrophobicContact CG-CG2 3.86Å; D629-T631 VanDerWaalsContact C-N 3.33Å; D629-T631 PolarHBondContact O-N 3.38Å; D629-T631 PolarHBondContact OD1-N 3.03Å; D629-T631 VanDerWaalsContact OD1-N 3.14Å; D629-T631 PolarHBondContact OD1-OG1 3.45Å; D629-T631 PolarHBondContact OD2-OG1 3.43Å
632	N	79.5	Confident	86	Confident	110 Å²	110	43.3 Å²	43.3	59%	0.588	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.9	-9.8	-166	-53.8	-5.4	0	0	0	113.2	K634	N632-K634 PolarHBondContact O-N 3Å
633	G	79.4	Confident	85.8	Confident	8 Å²	8	43.7 Å²	43.7	8%	0.082	23%	0.226	C	C	.	.			trans	69.1	16.5	-174.8	0	0	0	0	0	114.3	W542 V544 D629	W542-G633 VanDerWaalsContact CE2-CA 3.47Å; V544-G633 VanDerWaalsContact CB-O 3.24Å; V544-G633 WeakPolarHBondContact CB-O 3.44Å; V544-G633 VanDerWaalsContact CG2-O 3.31Å; V544-G633 WeakPolarHBondContact CG2-O 3.3Å; D629-G633 WeakPolarHBondContact O-CA 3.23Å; D629-G633 PolarHBondContact O-N 3.32Å
634	K	84.3	Confident	85.6	Confident	108 Å²	108	42.3 Å²	42.3	47%	0.47	22%	0.217	S	C	.	.			trans	-79.4	125.2	179.3	-171	175	-179.6	177	0	109.6	D629 N632 L636	D629-K634 HydrophobicContact CB-CB 4.48Å; D629-K634 PolarHBondContact N-O 3.48Å; N632-K634 PolarHBondContact O-N 3Å; K634-L636 HydrophobicContact CB-CD2 4.49Å; K634-L636 HydrophobicContact CG-CD2 4.43Å; K634-L636 PolarHBondContact O-N 2.79Å
635	L	84.9	Confident	85.2	Confident	53 Å²	53	42 Å²	42	28%	0.277	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	115.1	168.9	-177	69	0	0	0	108.8	V544 E547 V628	V544-L635 HydrophobicContact CG2-CB 4.31Å; E547-L635 HydrophobicContact CG-CD2 4.46Å; V628-L635 HydrophobicContact CG2-CD1 3.74Å
636	L	84.5	Confident	84.5	Confident	22 Å²	22	43.5 Å²	43.5	12%	0.115	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-47.4	-176.8	-63.8	-170.6	0	0	0	111.6	F18 I614 L616 V627 D629 K634	F18-L636 HydrophobicContact CB-CB 4.04Å; F18-L636 HydrophobicContact CD2-CB 4.23Å; F18-L636 HydrophobicContact CD2-CD1 4.19Å; F18-L636 HydrophobicContact CD2-CD2 3.86Å; F18-L636 HydrophobicContact CD2-CG 4.33Å; F18-L636 HydrophobicContact CE2-CD1 4.49Å; F18-L636 HydrophobicContact CE2-CD2 4.21Å; F18-L636 HydrophobicContact CG-CB 4.37Å; F18-L636 HydrophobicContact CG-CD1 4.47Å; F18-L636 VanDerWaalsContact O-O 3.11Å; I614-L636 HydrophobicContact CG2-CD1 4.37Å; L616-L636 HydrophobicContact CD2-CD1 3.25Å; L616-L636 HydrophobicContact CD2-CG 4.38Å; V627-L636 PolarHBondContact O-N 3.26Å; D629-L636 HydrophobicContact CB-CD1 4.15Å; D629-L636 HydrophobicContact CB-CD2 4.09Å; D629-L636 HydrophobicContact CB-CG 4.05Å; K634-L636 HydrophobicContact CB-CD2 4.49Å; K634-L636 HydrophobicContact CG-CD2 4.43Å; K634-L636 PolarHBondContact O-N 2.79Å
637	A	85.5	Confident	83.6	Confident	9 Å²	9	44.2 Å²	44.2	7%	0.074	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	150.1	-178.9	0	0	0	0	0	110.9	L20 V627 L685	L20-A637 HydrophobicContact CB-CB 4.4Å; L20-A637 HydrophobicContact CD1-CB 3.74Å; L20-A637 HydrophobicContact CG-CB 3.94Å; V627-A637 PolarHBondContact N-O 3.5Å; V627-A637 PolarHBondContact O-N 3.09Å; A637-L685 HydrophobicContact CB-CD1 4.41Å
638	A	87.4	Confident	82.8	Confident	33 Å²	33	47.7 Å²	47.7	27%	0.273	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	150.2	167.9	0	0	0	0	0	109.1	E547 V625	E547-A638 HydrophobicContact CB-CB 4.22Å; E547-A638 HydrophobicContact CG-CB 4.38Å; E547-A638 WeakPolarHBondContact OE2-CB 3.37Å; V625-A638 CarbonylContact O-C 3.56Å; V625-A638 VanDerWaalsContact O-CA 3.3Å; V625-A638 WeakPolarHBondContact O-CA 2.84Å
639	H	89.5	Confident	82.2	Confident	63 Å²	63	47.9 Å²	47.9	29%	0.292	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	142	177.2	-164.7	-74.4	0	0	0	110	L20 S624 V625 F683	L20-H639 HydrophobicContact CB-CB 4.14Å; L20-H639 PolarHBondContact O-CD2 2.9Å; S624-H639 WeakPolarHBondContact CA-O 3.45Å; V625-H639 HydrophobicContact CG1-CB 4.02Å; V625-H639 PolarHBondContact N-O 2.77Å; V625-H639 PolarHBondContact O-N 3.42Å; H639-F683 HydrophobicContact CB-CE1 4.18Å; H639-F683 AromaticContact CG-CE1 3.75Å; H639-F683 AromaticContact ND1-CE1 3.71Å
640	R	89.1	Confident	81.7	Confident	195 Å²	195	49.7 Å²	49.7	74%	0.736	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	132.9	173.8	-67.6	-170.9	-178.6	-177.5	-1.6	111	D623	D623-R640 CarbonylContact O-C 3.54Å; D623-R640 VanDerWaalsContact O-CA 3.31Å; D623-R640 WeakPolarHBondContact O-CA 3.49Å
641	L	86	Confident	81	Confident	13 Å²	13	50.5 Å²	50.5	7%	0.068	27%	0.266	C	S	.	.			trans	-86.6	146.4	178.1	-62.8	173.4	0	0	0	109.9	D623 V625 T643 P645 V674 F683	D623-L641 PolarHBondContact O-N 2.83Å; V625-L641 HydrophobicContact CB-CD1 4.41Å; V625-L641 HydrophobicContact CB-CD2 4.33Å; V625-L641 HydrophobicContact CB-CG 4.45Å; V625-L641 HydrophobicContact CG1-CD2 3.95Å; V625-L641 HydrophobicContact CG1-CG 4.4Å; L641-T643 VanDerWaalsContact C-N 3.32Å; L641-T643 WeakPolarHBondContact CB-O 3.44Å; L641-P645 HydrophobicContact CD1-CB 4.23Å; L641-P645 HydrophobicContact CD1-CG 4.16Å; L641-V674 HydrophobicContact CD1-CG1 3.98Å; L641-V674 HydrophobicContact CD2-CG1 4.2Å; L641-F683 HydrophobicContact CD2-CE2 3.74Å; L641-F683 HydrophobicContact CD2-CZ 3.7Å
642	P	83	Confident	80.4	Confident	88 Å²	88	48 Å²	48	57%	0.571	25%	0.251	S	S	*	.	S	Bend	trans	-71.1	-29	178	28.3	-33.6	0	0	0	112.6	I679 V681	P642-I679 HydrophobicContact CG-CD1 4.46Å; P642-V681 HydrophobicContact CG-CG2 4.26Å
643	T	82.3	Confident	79.3	Confident	38 Å²	38	45.7 Å²	45.7	23%	0.233	24%	0.243	C	C	.	.	S	Bend	trans	-143.4	167.4	178.8	58.6	0	0	0	0	110.4	L641 C676 N677 I679	L641-T643 VanDerWaalsContact C-N 3.32Å; L641-T643 WeakPolarHBondContact CB-O 3.44Å; T643-C676 WeakPolarHBondContact OG1-CB 3.47Å; T643-N677 PolarHBondContact OG1-N 2.98Å; T643-N677 PolarHBondContact OG1-O 2.95Å; T643-I679 HydrophobicContact CG2-CD1 4.36Å
644	Q	84.4	Confident	77.9	Confident	39 Å²	39	45.8 Å²	45.8	18%	0.182	24%	0.242	C	C	.	.			trans	-66.6	138.2	-175	-60.4	79.1	7.4	0	0	111.4	W622 C676 N677	W622-Q644 HydrophobicContact CD2-CG 3.9Å; W622-Q644 HydrophobicContact CE3-CG 3.94Å; W622-Q644 HydrophobicContact CH2-CG 3.75Å; W622-Q644 HydrophobicContact CZ2-CG 3.69Å; W622-Q644 HydrophobicContact CZ3-CG 3.84Å; W622-Q644 WeakPolarHBondContact O-CA 3.45Å; Q644-C676 CarbonylContact O-C 3.5Å; Q644-C676 VanDerWaalsContact O-CA 3.3Å; Q644-C676 WeakPolarHBondContact O-CA 3.4Å; Q644-N677 PolarHBondContact O-N 2.78Å
645	P	83.2	Confident	76	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-70.2	132.2	175.4	28	-31.7	0	0	0	110.8	F581 R582 G621 W622 L641 V674 P675	F581-P645 HydrophobicContact CD2-CG 4.1Å; F581-P645 HydrophobicContact CE2-CG 3.93Å; R582-P645 PolarHBondContact N-O 2.94Å; G621-P645 WeakPolarHBondContact O-CD 3.49Å; G621-P645 WeakPolarHBondContact O-CG 3.36Å; W622-P645 WeakPolarHBondContact O-CD 3.34Å; L641-P645 HydrophobicContact CD1-CB 4.23Å; L641-P645 HydrophobicContact CD1-CG 4.16Å; P645-V674 HydrophobicContact CB-CG1 4.26Å; P645-P675 WeakPolarHBondContact CA-O 3.18Å
646	T	75.5	Confident	73.6	Confident	31 Å²	31	42 Å²	42	19%	0.19	23%	0.229	C	C	.	.			trans	-102.1	-5.5	-176.4	52.9	0	0	0	0	113.3	H580 R582 P675 N677	H580-T646 HydrophobicContact CB-CG2 4.37Å; H580-T646 WeakPolarHBondContact O-CA 3.24Å; R582-T646 WeakPolarHBondContact CD-O 3.45Å; T646-P675 PolarHBondContact N-O 2.88Å; T646-P675 PolarHBondContact OG1-O 3.49Å; T646-N677 HydrophobicContact CG2-CB 4.15Å
647	G	69.8	Low	71.1	Confident	15 Å²	15	43.2 Å²	43.2	16%	0.155	24%	0.239	C	C	.	.	S	Bend	trans	-166.5	179.7	-178	0	0	0	0	0	113.8
648	Q	73.2	Confident	68.4	Low	72 Å²	72	49.1 Å²	49.1	34%	0.336	27%	0.27	S	S	.	.			trans	-65.9	138.9	179.1	-171	-178.8	-37.3	0	0	110.7	Y287 T586	Y287-Q648 PolarHBondContact OH-OE1 3.34Å; T586-Q648 VanDerWaalsContact CG2-CD 3.42Å; T586-Q648 HydrophobicContact CG2-CG 3.24Å
649	P	76.4	Confident	65.6	Low	5 Å²	5	51.8 Å²	51.8	3%	0.032	28%	0.283	C	S	.	.			trans	-62.5	138.4	173.8	24.9	-33.1	0	0	0	111	S584 T586 V618 T620 L672 L673 V674	S584-P649 WeakPolarHBondContact OG-CD 3.23Å; T586-P649 HydrophobicContact CG2-CG 3.99Å; V618-P649 HydrophobicContact CB-CG 4.49Å; V618-P649 HydrophobicContact CG1-CB 4.45Å; V618-P649 HydrophobicContact CG1-CG 4.04Å; T620-P649 HydrophobicContact CG2-CG 4.15Å; P649-L672 HydrophobicContact CB-CD1 3.95Å; P649-L672 HydrophobicContact CB-CG 4.31Å; P649-L673 CarbonylContact C-O 3.55Å; P649-L673 WeakPolarHBondContact CA-O 3.45Å; P649-V674 HydrophobicContact CB-CG2 4.41Å
650	I	74.3	Confident	62.7	Low	58 Å²	58	54.8 Å²	54.8	30%	0.297	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	135.7	-178.5	-56.8	166.5	0	0	0	108.1	F46 L673	F46-I650 HydrophobicContact CB-CD1 4.42Å; I650-L673 HydrophobicContact CB-CB 4.04Å; I650-L673 HydrophobicContact CB-CD1 4.16Å; I650-L673 HydrophobicContact CG2-CD1 4.2Å; I650-L673 PolarHBondContact N-O 3.26Å; I650-L673 WeakPolarHBondContact O-CB 3.18Å; I650-L673 PolarHBondContact O-N 2.86Å
651	V	70.4	Confident	59.8	Low	44 Å²	44	53.8 Å²	53.8	27%	0.267	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.8	-179.8	-178.5	0	0	0	0	108.7	I588 L590 T670 L672	I588-V651 HydrophobicContact CB-CG2 4.09Å; I588-V651 HydrophobicContact CD1-CG2 3.17Å; I588-V651 HydrophobicContact CG1-CG2 3.55Å; I588-V651 HydrophobicContact CG2-CB 4.16Å; I588-V651 HydrophobicContact CG2-CG1 3.86Å; I588-V651 HydrophobicContact CG2-CG2 3.38Å; L590-V651 HydrophobicContact CD2-CG1 3.75Å; L590-V651 HydrophobicContact CD2-CG2 4.48Å; V651-T670 HydrophobicContact CG1-CG2 4.03Å; V651-L672 HydrophobicContact CG2-CD1 4.13Å
652	I	65.3	Low	57.1	Low	4 Å²	4	62.4 Å²	62.4	2%	0.021	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.8	170.3	-59.4	169.8	0	0	0	108	T48 T50 I59 L81 T670 I671 L673	T48-I652 HydrophobicContact CG2-CD1 3.9Å; T48-I652 HydrophobicContact CG2-CG1 4.14Å; T50-I652 HydrophobicContact CG2-CG2 4.09Å; I59-I652 HydrophobicContact CD1-CG2 3.88Å; I59-I652 HydrophobicContact CG2-CD1 4.44Å; I59-I652 HydrophobicContact CG2-CG2 4Å; L81-I652 HydrophobicContact CD1-CD1 4.28Å; I652-T670 CarbonylContact O-C 3.57Å; I652-T670 WeakPolarHBondContact O-CA 3.32Å; I652-I671 PolarHBondContact N-O 3.42Å; I652-I671 PolarHBondContact O-N 3.47Å; I652-L673 HydrophobicContact CD1-CD1 3.39Å; I652-L673 HydrophobicContact CD1-CD2 4.26Å; I652-L673 HydrophobicContact CD1-CG 3.8Å; I652-L673 HydrophobicContact CG1-CD1 3.84Å; I652-L673 HydrophobicContact CG1-CG 4.29Å
653	S	56.8	Low	54.6	Low	61 Å²	61	63 Å²	63	43%	0.427	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	107.8	170.8	-64.3	0	0	0	0	110.1	A655 V668	S653-A655 PolarHBondContact O-N 3.08Å; S653-V668 VanDerWaalsContact CA-CG1 3.41Å; S653-V668 VanDerWaalsContact CB-CG1 3.46Å
654	L	51.1	Low	52	Low	11 Å²	11	66.4 Å²	66.4	6%	0.058	37%	0.371	C	S	.	.			trans	-84.2	87.7	170	-58.4	118.4	0	0	0	111.9	I59 L84 L656 V668 P669 I671	I59-L654 HydrophobicContact CD1-CD2 3.18Å; I59-L654 HydrophobicContact CD1-CG 3.66Å; I59-L654 HydrophobicContact CG1-CD2 4.43Å; L84-L654 HydrophobicContact CB-CD2 4.32Å; L84-L654 HydrophobicContact CD1-CB 3.77Å; L84-L654 HydrophobicContact CD1-CD1 3.56Å; L84-L654 HydrophobicContact CD1-CD2 3.62Å; L84-L654 HydrophobicContact CD1-CG 3.86Å; L654-L656 PolarHBondContact O-N 3.47Å; L654-V668 WeakPolarHBondContact O-CG1 3.22Å; L654-P669 WeakPolarHBondContact CA-O 3.36Å; L654-P669 HydrophobicContact CB-CG 4.32Å; L654-P669 WeakPolarHBondContact CB-O 3.09Å; L654-P669 WeakPolarHBondContact CD1-O 3.47Å; L654-P669 PolarHBondContact N-O 2.85Å; L654-P669 VanDerWaalsContact O-CD 3.25Å; L654-P669 WeakPolarHBondContact O-CD 3.5Å; L654-I671 HydrophobicContact CD1-CB 4.39Å; L654-I671 HydrophobicContact CD1-CD1 3.69Å; L654-I671 HydrophobicContact CD1-CG1 3.63Å; L654-I671 HydrophobicContact CD2-CD1 4.38Å; L654-I671 HydrophobicContact CG-CD1 4.48Å
655	A	43.2	Very low	49.5	Very low	17 Å²	17	70.1 Å²	70.1	14%	0.14	40%	0.396	C	S	.	.			trans	-68	126.2	-171.8	0	0	0	0	0	113	Y52 W57 S653 S657 V668	Y52-A655 HydrophobicContact CE1-CB 3.37Å; Y52-A655 WeakPolarHBondContact OH-CB 3.35Å; W57-A655 VanDerWaalsContact CH2-O 3.25Å; W57-A655 WeakPolarHBondContact CH2-O 3.4Å; W57-A655 WeakPolarHBondContact CZ3-O 3Å; S653-A655 PolarHBondContact O-N 3.08Å; A655-S657 PolarHBondContact O-N 2.98Å; A655-V668 VanDerWaalsContact CA-CG2 3.45Å; A655-V668 HydrophobicContact CB-CG1 4.3Å; A655-V668 HydrophobicContact CB-CG2 3.76Å; A655-V668 VanDerWaalsContact N-CG1 3.3Å
656	L	35.2	Very low	47	Very low	64 Å²	64	71.8 Å²	71.8	34%	0.335	41%	0.406	S	S	.	.			trans	-83.2	88.2	178.3	-145.3	91.2	0	0	0	110	W57 L84 L654 N658 V666 P669	W57-L656 HydrophobicContact CH2-CB 4.3Å; W57-L656 HydrophobicContact CH2-CD1 4.27Å; W57-L656 HydrophobicContact CH2-CG 4.06Å; W57-L656 HydrophobicContact CZ3-CD1 4.11Å; W57-L656 HydrophobicContact CZ3-CG 4.35Å; L84-L656 HydrophobicContact CD2-CD1 3.52Å; L654-L656 PolarHBondContact O-N 3.47Å; L656-N658 PolarHBondContact O-N 3.25Å; L656-N658 VanDerWaalsContact O-N 3.11Å; L656-V666 HydrophobicContact CB-CG1 3.87Å; L656-V666 HydrophobicContact CD2-CG1 4.47Å; L656-V666 WeakPolarHBondContact O-CB 3.46Å; L656-V666 WeakPolarHBondContact O-CG1 3.23Å; L656-P669 HydrophobicContact CD1-CG 4.35Å
657	S	32.8	Very low	45.4	Very low	48 Å²	48	71.5 Å²	71.5	34%	0.336	40%	0.403	S	S	.	.			trans	-65.1	112.8	169.4	106.9	0	0	0	0	110	W57 A655	W57-S657 VanDerWaalsContact CZ2-CA 3.41Å; W57-S657 WeakPolarHBondContact CZ2-O 3.39Å; W57-S657 WeakPolarHBondContact CZ2-OG 3.39Å; W57-S657 PolarHBondContact NE1-OG 3.44Å; A655-S657 PolarHBondContact O-N 2.98Å
658	N	28.4	Very low	44.2	Very low	133 Å²	133	72.2 Å²	72.2	71%	0.711	40%	0.404	S	S	*	.			trans	-101.7	109.6	136.5	-117.3	-2.2	0	0	0	107.4	L656 T660	L656-N658 PolarHBondContact O-N 3.25Å; L656-N658 VanDerWaalsContact O-N 3.11Å; N658-T660 PolarHBondContact O-N 3.28Å
659	T	29.1	Very low	43.1	Very low	89 Å²	89	69.1 Å²	69.1	55%	0.546	39%	0.391	S	S	.	.			trans	-57	118.3	169.5	49.7	0	0	0	0	110.2
660	T	28	Very low	42.6	Very low	125 Å²	125	69.1 Å²	69.1	77%	0.767	39%	0.391	S	S	*	.	S	Bend		156.2	64.9	128.9	53.4	0	0	0	0	110.5	N658	N658-T660 PolarHBondContact O-N 3.28Å
661	K	28.8	Very low	42.5	Very low	175 Å²	175	66.5 Å²	66.5	76%	0.761	38%	0.377	S	S	*	.			trans	171.7	133.9	146.8	-97.3	162	-175.2	-178.6	0	108.4	S663	K661-S663 PolarHBondContact O-N 3.22Å
662	L	28.5	Very low	42.9	Very low	194 Å²	194	64.5 Å²	64.5	100%	1.016	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	27.6	-173.7	-127.3	96.5	0	0	0	115
663	S	29.4	Very low	43.7	Very low	99 Å²	99	64.5 Å²	64.5	69%	0.692	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.8	0.8	-174.6	62.1	0	0	0	0	115.3	K661 V665	K661-S663 PolarHBondContact O-N 3.22Å; S663-V665 PolarHBondContact O-N 2.89Å
664	E	28.1	Very low	44.9	Very low	110 Å²	110	61.6 Å²	61.6	51%	0.514	35%	0.345	S	S	.	.			trans	-95	98.6	176.8	-71.5	-174.7	165.4	0	0	109.7	V666	E664-V666 HydrophobicContact CB-CG2 4.03Å; E664-V666 PolarHBondContact O-N 2.89Å
665	V	31.8	Very low	46.2	Very low	118 Å²	118	61.4 Å²	61.4	72%	0.715	34%	0.344	S	S	*	.			trans	-65.5	81.7	161.2	-178.6	0	0	0	0	106.4	S663 N667	S663-V665 PolarHBondContact O-N 2.89Å; V665-N667 PolarHBondContact O-N 2.8Å
666	V	32.3	Very low	48	Very low	35 Å²	35	60.7 Å²	60.7	21%	0.212	34%	0.338	C	S	.	.			trans	-73	113.9	175.3	-174.6	0	0	0	0	106.7	L656 E664 V668	L656-V666 HydrophobicContact CB-CG1 3.87Å; L656-V666 HydrophobicContact CD2-CG1 4.47Å; L656-V666 WeakPolarHBondContact O-CB 3.46Å; L656-V666 WeakPolarHBondContact O-CG1 3.23Å; E664-V666 HydrophobicContact CB-CG2 4.03Å; E664-V666 PolarHBondContact O-N 2.89Å; V666-V668 WeakPolarHBondContact O-CG2 3.3Å; V666-V668 PolarHBondContact O-N 3.24Å
667	N	40.2	Very low	49.9	Very low	24 Å²	24	58.2 Å²	58.2	13%	0.128	33%	0.325	C	S	.	.			trans	-61.9	137	-174.3	-73.6	-37.4	0	0	0	111.6	I611 T613 V665	I611-N667 HydrophobicContact CB-CB 3.84Å; I611-N667 WeakPolarHBondContact O-CB 3.11Å; I611-N667 PolarHBondContact O-ND2 3.18Å; T613-N667 HydrophobicContact CG2-CB 4.25Å; V665-N667 PolarHBondContact O-N 2.8Å
668	V	46	Very low	51.7	Low	30 Å²	30	57.6 Å²	57.6	18%	0.182	32%	0.318	C	S	.	.			trans	-110.5	114	-152	164.6	0	0	0	0	107.8	A591 S653 L654 A655 V666 T670	A591-V668 VanDerWaalsContact CB-O 3.26Å; A591-V668 WeakPolarHBondContact CB-O 3.43Å; S653-V668 VanDerWaalsContact CA-CG1 3.41Å; S653-V668 VanDerWaalsContact CB-CG1 3.46Å; L654-V668 WeakPolarHBondContact O-CG1 3.22Å; A655-V668 VanDerWaalsContact CA-CG2 3.45Å; A655-V668 HydrophobicContact CB-CG1 4.3Å; A655-V668 HydrophobicContact CB-CG2 3.76Å; A655-V668 VanDerWaalsContact N-CG1 3.3Å; V666-V668 WeakPolarHBondContact O-CG2 3.3Å; V666-V668 PolarHBondContact O-N 3.24Å; V668-T670 HydrophobicContact CG1-CG2 4.46Å; V668-T670 WeakPolarHBondContact O-CG2 3.29Å; V668-T670 PolarHBondContact O-N 2.84Å
669	P	49.6	Very low	54	Low	8 Å²	8	52.1 Å²	52.1	5%	0.052	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-55.7	140.2	169.4	16.1	-25.5	0	0	0	110.3	L84 L593 L654 L656	L84-P669 HydrophobicContact CD1-CB 3.72Å; L84-P669 HydrophobicContact CD1-CG 3.43Å; L84-P669 VanDerWaalsContact CD1-CG 3.43Å; L84-P669 HydrophobicContact CD2-CB 4.24Å; L84-P669 HydrophobicContact CD2-CG 3.28Å; L84-P669 HydrophobicContact CG-CG 3.96Å; L593-P669 HydrophobicContact CG-CB 4.45Å; L654-P669 WeakPolarHBondContact CA-O 3.36Å; L654-P669 HydrophobicContact CB-CG 4.32Å; L654-P669 WeakPolarHBondContact CB-O 3.09Å; L654-P669 WeakPolarHBondContact CD1-O 3.47Å; L654-P669 PolarHBondContact N-O 2.85Å; L654-P669 VanDerWaalsContact O-CD 3.25Å; L654-P669 WeakPolarHBondContact O-CD 3.5Å; L656-P669 HydrophobicContact CD1-CG 4.35Å
670	T	65.4	Low	56.4	Low	5 Å²	5	48 Å²	48	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.7	-166.4	38.4	0	0	0	0	110.2	L590 A591 V651 I652 V668	L590-T670 VanDerWaalsContact CA-OG1 3.24Å; L590-T670 WeakPolarHBondContact CA-OG1 3.32Å; L590-T670 VanDerWaalsContact CB-OG1 3.26Å; L590-T670 WeakPolarHBondContact CB-OG1 3.31Å; L590-T670 HydrophobicContact CD2-CG2 4.06Å; L590-T670 WeakPolarHBondContact CD2-OG1 3.47Å; A591-T670 PolarHBondContact N-OG1 3.27Å; A591-T670 VanDerWaalsContact N-OG1 3.09Å; V651-T670 HydrophobicContact CG1-CG2 4.03Å; I652-T670 CarbonylContact O-C 3.57Å; I652-T670 WeakPolarHBondContact O-CA 3.32Å; V668-T670 HydrophobicContact CG1-CG2 4.46Å; V668-T670 WeakPolarHBondContact O-CG2 3.29Å; V668-T670 PolarHBondContact O-N 2.84Å
671	I	73.1	Confident	58.9	Low	2 Å²	2	42.4 Å²	42.4	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.2	171.7	-69	163	0	0	0	108.3	L87 I652 L654 F683	L87-I671 HydrophobicContact CD1-CD1 3.9Å; I652-I671 PolarHBondContact N-O 3.42Å; I652-I671 PolarHBondContact O-N 3.47Å; L654-I671 HydrophobicContact CD1-CB 4.39Å; L654-I671 HydrophobicContact CD1-CD1 3.69Å; L654-I671 HydrophobicContact CD1-CG1 3.63Å; L654-I671 HydrophobicContact CD2-CD1 4.38Å; L654-I671 HydrophobicContact CG-CD1 4.48Å; I671-F683 WeakPolarHBondContact CA-O 3.48Å
672	L	78.9	Confident	61.5	Low	2 Å²	2	34.1 Å²	34.1	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	113.6	172.4	-175.6	84.7	0	0	0	109.1	L20 I588 V618 V625 P649 V651 V674 G682 F683	L20-L672 HydrophobicContact CD2-CD2 4.4Å; I588-L672 HydrophobicContact CD1-CD1 3.86Å; V618-L672 HydrophobicContact CB-CD1 4.47Å; V618-L672 HydrophobicContact CG1-CD1 4.07Å; V618-L672 HydrophobicContact CG1-CD2 3.78Å; V618-L672 HydrophobicContact CG2-CD1 3.99Å; V625-L672 HydrophobicContact CG2-CD2 4.18Å; P649-L672 HydrophobicContact CB-CD1 3.95Å; P649-L672 HydrophobicContact CB-CG 4.31Å; V651-L672 HydrophobicContact CG2-CD1 4.13Å; L672-V674 HydrophobicContact CD2-CG2 4.08Å; L672-V674 HydrophobicContact CG-CG2 4.4Å; L672-G682 CarbonylContact O-C 3.59Å; L672-F683 HydrophobicContact CB-CB 4.25Å; L672-F683 PolarHBondContact N-O 3.4Å; L672-F683 PolarHBondContact O-N 2.93Å
673	L	80.6	Confident	64	Low	4 Å²	4	24.9 Å²	24.9	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	127.9	171.9	-67.5	173.5	0	0	0	110.3	W24 T48 P649 I650 I652 V680	W24-L673 HydrophobicContact CH2-CD2 3.07Å; W24-L673 HydrophobicContact CZ2-CD2 3.19Å; W24-L673 HydrophobicContact CZ3-CD2 4.1Å; T48-L673 HydrophobicContact CG2-CD1 3.7Å; P649-L673 CarbonylContact C-O 3.55Å; P649-L673 WeakPolarHBondContact CA-O 3.45Å; I650-L673 HydrophobicContact CB-CB 4.04Å; I650-L673 HydrophobicContact CB-CD1 4.16Å; I650-L673 HydrophobicContact CG2-CD1 4.2Å; I650-L673 PolarHBondContact N-O 3.26Å; I650-L673 WeakPolarHBondContact O-CB 3.18Å; I650-L673 PolarHBondContact O-N 2.86Å; I652-L673 HydrophobicContact CD1-CD1 3.39Å; I652-L673 HydrophobicContact CD1-CD2 4.26Å; I652-L673 HydrophobicContact CD1-CG 3.8Å; I652-L673 HydrophobicContact CG1-CD1 3.84Å; I652-L673 HydrophobicContact CG1-CG 4.29Å; L673-V680 HydrophobicContact CD2-CG1 4.06Å
674	V	82.4	Confident	66.3	Low	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	109.5	171.1	-173.7	0	0	0	0	108.4	T620 V625 L641 P645 P649 L672 C676 V681 F683	T620-V674 HydrophobicContact CG2-CG1 4.45Å; V625-V674 HydrophobicContact CG2-CG2 4.31Å; L641-V674 HydrophobicContact CD1-CG1 3.98Å; L641-V674 HydrophobicContact CD2-CG1 4.2Å; P645-V674 HydrophobicContact CB-CG1 4.26Å; P649-V674 HydrophobicContact CB-CG2 4.41Å; L672-V674 HydrophobicContact CD2-CG2 4.08Å; L672-V674 HydrophobicContact CG-CG2 4.4Å; V674-C676 PolarHBondContact O-N 3.11Å; V674-V681 PolarHBondContact N-O 2.88Å; V674-V681 PolarHBondContact O-N 3.44Å; V674-V681 VanDerWaalsContact O-N 3.16Å; V674-F683 HydrophobicContact CB-CD2 4.48Å; V674-F683 HydrophobicContact CB-CE2 4.21Å; V674-F683 HydrophobicContact CG2-CD2 3.84Å; V674-F683 HydrophobicContact CG2-CE2 3.9Å
675	P	79	Confident	68.8	Low	8 Å²	8	15.1 Å²	15.1	5%	0.052	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	118.8	172.3	29.4	-31	0	0	0	108.9	F46 P645 T646	F46-P675 HydrophobicContact CE2-CB 3.98Å; P645-P675 WeakPolarHBondContact CA-O 3.18Å; T646-P675 PolarHBondContact N-O 2.88Å; T646-P675 PolarHBondContact OG1-O 3.49Å
676	C	79.7	Confident	70.9	Confident	1 Å²	1	9.9 Å²	9.9	1%	0.007	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	169.3	175.7	-49.5	0	0	0	0	109.6	T643 Q644 V674 D678 I679	T643-C676 WeakPolarHBondContact OG1-CB 3.47Å; Q644-C676 CarbonylContact O-C 3.5Å; Q644-C676 VanDerWaalsContact O-CA 3.3Å; Q644-C676 WeakPolarHBondContact O-CA 3.4Å; V674-C676 PolarHBondContact O-N 3.11Å; C676-D678 PolarHBondContact O-N 3.43Å; C676-I679 CarbonylContact C-O 3.51Å; C676-I679 VanDerWaalsContact CA-O 3.3Å; C676-I679 WeakPolarHBondContact CA-O 3.21Å; C676-I679 VanDerWaalsContact CB-O 3.32Å; C676-I679 WeakPolarHBondContact CB-O 3.29Å; C676-I679 PolarHBondContact N-O 3.33Å; C676-I679 PolarHBondContact O-N 3.13Å
677	N	75.1	Confident	72.8	Confident	13 Å²	13	9.8 Å²	9.8	7%	0.07	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	123.7	175	-165.9	14.3	0	0	0	109.9	S42 L576 T643 Q644 T646 I679	S42-N677 PolarHBondContact OG-OD1 3.34Å; L576-N677 WeakPolarHBondContact CD2-ND2 3.31Å; T643-N677 PolarHBondContact OG1-N 2.98Å; T643-N677 PolarHBondContact OG1-O 2.95Å; Q644-N677 PolarHBondContact O-N 2.78Å; T646-N677 HydrophobicContact CG2-CB 4.15Å; N677-I679 PolarHBondContact O-N 2.9Å
678	D	70.5	Confident	74	Confident	35 Å²	35	10.8 Å²	10.8	19%	0.187	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	-2	-177	-70.1	-29.7	0	0	0	117.5	L28 K29 C676	L28-D678 WeakPolarHBondContact CB-O 3.13Å; L28-D678 PolarHBondContact N-O 2.69Å; K29-D678 IonicContact NZ-OD1 2.86Å; K29-D678 IonicContact NZ-OD2 3.63Å; K29-D678 PolarHBondContact NZ-OD2 3.41Å; C676-D678 PolarHBondContact O-N 3.43Å
679	I	77.8	Confident	74.8	Confident	17 Å²	17	11.2 Å²	11.2	9%	0.087	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	137.9	-174.6	-51.6	176.2	0	0	0	110.5	A25 L26 H27 P642 T643 C676 N677 V681	A25-I679 HydrophobicContact CB-CG2 4.2Å; L26-I679 WeakPolarHBondContact O-CA 3.26Å; H27-I679 WeakPolarHBondContact CE1-CD1 3.45Å; P642-I679 HydrophobicContact CG-CD1 4.46Å; T643-I679 HydrophobicContact CG2-CD1 4.36Å; C676-I679 CarbonylContact C-O 3.51Å; C676-I679 VanDerWaalsContact CA-O 3.3Å; C676-I679 WeakPolarHBondContact CA-O 3.21Å; C676-I679 VanDerWaalsContact CB-O 3.32Å; C676-I679 WeakPolarHBondContact CB-O 3.29Å; C676-I679 PolarHBondContact N-O 3.33Å; C676-I679 PolarHBondContact O-N 3.13Å; N677-I679 PolarHBondContact O-N 2.9Å; I679-V681 HydrophobicContact CG2-CG2 3.87Å
680	V	78.9	Confident	75.4	Confident	4 Å²	4	17.2 Å²	17.2	2%	0.024	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127	165.3	-176.8	0	0	0	0	109.1	W24 A25 L26 L28 F46 L673	W24-V680 HydrophobicContact CH2-CG1 4Å; W24-V680 HydrophobicContact CZ3-CB 4.21Å; W24-V680 HydrophobicContact CZ3-CG1 3.85Å; W24-V680 WeakPolarHBondContact CZ3-O 3.41Å; A25-V680 CarbonylContact C-O 3.53Å; A25-V680 WeakPolarHBondContact CA-O 3.31Å; L26-V680 HydrophobicContact CB-CB 4.49Å; L26-V680 PolarHBondContact N-O 2.69Å; L26-V680 PolarHBondContact O-N 3.35Å; L28-V680 HydrophobicContact CD1-CG2 4.19Å; L28-V680 HydrophobicContact CD2-CG2 4.31Å; L28-V680 HydrophobicContact CG-CG2 4.49Å; F46-V680 HydrophobicContact CD1-CG2 4.2Å; F46-V680 HydrophobicContact CE1-CG2 3.31Å; F46-V680 HydrophobicContact CE2-CG2 4.42Å; F46-V680 HydrophobicContact CZ-CG2 3.43Å; F46-V680 VanDerWaalsContact CZ-CG2 3.43Å; L673-V680 HydrophobicContact CD2-CG1 4.06Å
681	V	81.8	Confident	75.2	Confident	7 Å²	7	22.1 Å²	22.1	4%	0.042	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.5	179.5	-171.7	0	0	0	0	109.7	P22 P642 V674 I679 F683	P22-V681 HydrophobicContact CB-CG1 4.02Å; P642-V681 HydrophobicContact CG-CG2 4.26Å; V674-V681 PolarHBondContact N-O 2.88Å; V674-V681 PolarHBondContact O-N 3.44Å; V674-V681 VanDerWaalsContact O-N 3.16Å; I679-V681 HydrophobicContact CG2-CG2 3.87Å; V681-F683 HydrophobicContact CB-CD2 4.46Å; V681-F683 HydrophobicContact CB-CE2 3.8Å; V681-F683 HydrophobicContact CB-CZ 4.25Å; V681-F683 HydrophobicContact CG1-CD2 4.06Å; V681-F683 HydrophobicContact CG1-CE1 4.2Å; V681-F683 HydrophobicContact CG1-CE2 3.48Å; V681-F683 VanDerWaalsContact CG1-CE2 3.48Å; V681-F683 HydrophobicContact CG1-CZ 3.56Å
682	G	81.5	Confident	74.7	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123.5	172.1	0	0	0	0	0	110.8	V23 W24 L672	V23-G682 PolarHBondContact N-O 2.83Å; W24-G682 PolarHBondContact O-N 2.77Å; L672-G682 CarbonylContact O-C 3.59Å
683	F	82.1	Confident	73.9	Confident	1 Å²	1	30.2 Å²	30.2	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	141.6	177.4	-68.1	-85.8	0	0	0	111.6	L20 I21 P22 V625 H639 L641 I671 L672 V674 V681	L20-F683 HydrophobicContact CB-CD1 4.21Å; L20-F683 HydrophobicContact CD2-CB 3.8Å; L20-F683 HydrophobicContact CD2-CD1 4.48Å; L20-F683 HydrophobicContact CD2-CG 4.33Å; I21-F683 WeakPolarHBondContact O-CA 3.45Å; P22-F683 HydrophobicContact CB-CD1 4.23Å; P22-F683 HydrophobicContact CB-CE1 3.97Å; V625-F683 HydrophobicContact CG1-CE2 4.31Å; V625-F683 HydrophobicContact CG1-CZ 4.28Å; H639-F683 HydrophobicContact CB-CE1 4.18Å; H639-F683 AromaticContact CG-CE1 3.75Å; H639-F683 AromaticContact ND1-CE1 3.71Å; L641-F683 HydrophobicContact CD2-CE2 3.74Å; L641-F683 HydrophobicContact CD2-CZ 3.7Å; I671-F683 WeakPolarHBondContact CA-O 3.48Å; L672-F683 HydrophobicContact CB-CB 4.25Å; L672-F683 PolarHBondContact N-O 3.4Å; L672-F683 PolarHBondContact O-N 2.93Å; V674-F683 HydrophobicContact CB-CD2 4.48Å; V674-F683 HydrophobicContact CB-CE2 4.21Å; V674-F683 HydrophobicContact CG2-CD2 3.84Å; V674-F683 HydrophobicContact CG2-CE2 3.9Å; V681-F683 HydrophobicContact CB-CD2 4.46Å; V681-F683 HydrophobicContact CB-CE2 3.8Å; V681-F683 HydrophobicContact CB-CZ 4.25Å; V681-F683 HydrophobicContact CG1-CD2 4.06Å; V681-F683 HydrophobicContact CG1-CE1 4.2Å; V681-F683 HydrophobicContact CG1-CE2 3.48Å; V681-F683 VanDerWaalsContact CG1-CE2 3.48Å; V681-F683 HydrophobicContact CG1-CZ 3.56Å
684	A	78.3	Confident	73.1	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.7	166.7	0	0	0	0	0	109.8	I21 V23 L593 V686	I21-A684 PolarHBondContact N-O 2.85Å; I21-A684 PolarHBondContact O-N 2.66Å; V23-A684 HydrophobicContact CG2-CB 3.39Å; L593-A684 HydrophobicContact CD1-CB 3.52Å; A684-V686 HydrophobicContact CB-CG2 4.47Å
685	L	79.1	Confident	72.6	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	113.9	169.7	-171.1	74.1	0	0	0	108.7	F18 L20 L593 L616 A637	F18-L685 HydrophobicContact CB-CD1 4.08Å; F18-L685 HydrophobicContact CD1-CD2 4.1Å; F18-L685 HydrophobicContact CD1-CG 4.15Å; L20-L685 HydrophobicContact CG-CD1 4.4Å; L593-L685 PolarHBondContact N-O 2.89Å; L616-L685 HydrophobicContact CD1-CD2 3.78Å; A637-L685 HydrophobicContact CB-CD1 4.41Å
686	V	75.7	Confident	72.1	Confident	8 Å²	8	38.6 Å²	38.6	5%	0.048	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.1	179.9	-178	0	0	0	0	109.3	F18 S19 I21 V91 M92 L593 A684	F18-V686 WeakPolarHBondContact CA-O 3.39Å; S19-V686 PolarHBondContact N-O 2.93Å; S19-V686 PolarHBondContact O-N 2.94Å; I21-V686 HydrophobicContact CB-CG2 4.33Å; I21-V686 HydrophobicContact CD1-CB 4.02Å; I21-V686 HydrophobicContact CD1-CG1 4.4Å; I21-V686 HydrophobicContact CD1-CG2 3.79Å; I21-V686 HydrophobicContact CG1-CB 4.35Å; I21-V686 HydrophobicContact CG1-CG2 4.02Å; V91-V686 HydrophobicContact CG1-CG2 3.57Å; M92-V686 HydrophobicContact CE-CG1 3.74Å; L593-V686 HydrophobicContact CB-CG2 4.41Å; A684-V686 HydrophobicContact CB-CG2 4.47Å
687	Q	72.9	Confident	71.6	Confident	32 Å²	32	41.1 Å²	41.1	15%	0.15	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	119	170.3	-168.3	169.7	0.6	0	0	108.7	H16 F18 L593 Q595	H16-Q687 PolarHBondContact ND1-NE2 3.42Å; H16-Q687 VanDerWaalsContact ND1-NE2 3.14Å; F18-Q687 HydrophobicContact CD1-CB 4.07Å; F18-Q687 HydrophobicContact CD1-CG 4.21Å; F18-Q687 HydrophobicContact CE1-CB 3.84Å; F18-Q687 HydrophobicContact CE1-CG 3.76Å; F18-Q687 HydrophobicContact CZ-CG 4.14Å; L593-Q687 PolarHBondContact O-N 2.8Å; Q595-Q687 VanDerWaalsContact CG-OE1 3.24Å
688	S	64.9	Low	71.5	Confident	45 Å²	45	43.7 Å²	43.7	32%	0.315	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.9	176.4	64.6	0	0	0	0	110.4	S17	S17-S688 PolarHBondContact N-O 3.38Å; S17-S688 PolarHBondContact O-N 2.91Å; S17-S688 PolarHBondContact O-OG 2.83Å; S17-S688 PolarHBondContact OG-O 3.43Å; S17-S688 VanDerWaalsContact OG-O 3.08Å; S17-S688 PolarHBondContact OG-OG 2.87Å; S17-S688 VanDerWaalsContact OG-OG 3.08Å
689	L	62.6	Low	71.9	Confident	39 Å²	39	46.5 Å²	46.5	20%	0.204	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	125.2	171.1	-120.3	144.7	0	0	0	107.8	F598 I691 L694	F598-L689 HydrophobicContact CE1-CD1 4.07Å; F598-L689 HydrophobicContact CE2-CD1 3.86Å; F598-L689 HydrophobicContact CZ-CD1 3.33Å; L689-I691 PolarHBondContact O-N 3.19Å; L689-L694 HydrophobicContact CD2-CD1 3.82Å
690	R	63.8	Low	71.8	Confident	135 Å²	135	49 Å²	49	51%	0.509	27%	0.266	S	S	.	.			trans	-73.7	76.1	174.3	-67	-167.9	179.7	175.5	-2.3	110.1	H15 S17 S692 L693 L694	H15-R690 PolarHBondContact O-N 3.5Å; S17-R690 WeakPolarHBondContact OG-CG 3.44Å; R690-S692 PolarHBondContact O-N 2.84Å; R690-S692 VanDerWaalsContact O-N 3.15Å; R690-L693 HydrophobicContact CB-CB 4.36Å; R690-L693 HydrophobicContact CB-CD1 4.31Å; R690-L693 PolarHBondContact O-N 3.04Å; R690-L694 PolarHBondContact O-N 2.95Å; R690-L694 VanDerWaalsContact O-N 3.07Å
691	I	60.9	Low	71.6	Confident	108 Å²	108	50.7 Å²	50.7	55%	0.554	28%	0.275	S	S	*	.	H	α-helix	trans	-54.5	-34.2	177.3	-65.8	167.2	0	0	0	110.7	L689 L693 L694 I695	L689-I691 PolarHBondContact O-N 3.19Å; I691-L693 VanDerWaalsContact C-N 3.25Å; I691-L693 PolarHBondContact O-N 2.88Å; I691-L694 PolarHBondContact O-N 3.16Å; I691-I695 HydrophobicContact CG2-CD1 3.52Å; I691-I695 HydrophobicContact CG2-CG1 4Å; I691-I695 WeakPolarHBondContact O-CG1 3.2Å; I691-I695 PolarHBondContact O-N 3.34Å; I691-I695 VanDerWaalsContact O-N 3.07Å
692	S	61.2	Low	71.5	Confident	95 Å²	95	53.3 Å²	53.3	66%	0.664	29%	0.291	S	S	*	.	H	α-helix	trans	-62.3	-26	178.3	58.4	0	0	0	0	114.7	R690 P696	R690-S692 PolarHBondContact O-N 2.84Å; R690-S692 VanDerWaalsContact O-N 3.15Å; S692-P696 WeakPolarHBondContact O-CD 3.29Å; S692-P696 WeakPolarHBondContact O-CG 3.48Å
693	L	62.5	Low	71.4	Confident	78 Å²	78	57.2 Å²	57.2	41%	0.408	32%	0.315	S	S	.	.	H	α-helix	trans	-95.7	-32.2	174.2	-82.4	159	0	0	0	111.8	R690 I691 P696 L697	R690-L693 HydrophobicContact CB-CB 4.36Å; R690-L693 HydrophobicContact CB-CD1 4.31Å; R690-L693 PolarHBondContact O-N 3.04Å; I691-L693 VanDerWaalsContact C-N 3.25Å; I691-L693 PolarHBondContact O-N 2.88Å; L693-P696 WeakPolarHBondContact O-CD 3.35Å; L693-P696 WeakPolarHBondContact O-CG 3.39Å; L693-L697 VanDerWaalsContact O-CB 3.3Å; L693-L697 WeakPolarHBondContact O-CB 3.41Å; L693-L697 PolarHBondContact O-N 3.28Å
694	L	65.2	Low	71.2	Confident	30 Å²	30	60 Å²	60	16%	0.157	34%	0.335	C	S	.	.	H	α-helix	trans	-64.8	-43.2	-179	-157.8	109.7	0	0	0	112.1	V12 H15 L689 R690 I691 L697 I698	V12-L694 HydrophobicContact CB-CD1 4.49Å; V12-L694 HydrophobicContact CG2-CD1 3.84Å; H15-L694 HydrophobicContact CB-CD1 4.46Å; L689-L694 HydrophobicContact CD2-CD1 3.82Å; R690-L694 PolarHBondContact O-N 2.95Å; R690-L694 VanDerWaalsContact O-N 3.07Å; I691-L694 PolarHBondContact O-N 3.16Å; L694-L697 PolarHBondContact O-N 3.48Å; L694-I698 HydrophobicContact CD2-CD1 3.55Å; L694-I698 HydrophobicContact CG-CD1 4.07Å; L694-I698 VanDerWaalsContact O-CG1 3.29Å; L694-I698 WeakPolarHBondContact O-CG1 3.49Å; L694-I698 PolarHBondContact O-N 3.42Å
695	I	70.9	Confident	71.3	Confident	91 Å²	91	64.7 Å²	64.7	47%	0.467	36%	0.355	S	S	.	.	H	α-helix	trans	-60.9	-56.6	-179.7	-66	170.9	0	0	0	112.2	I691 L697 I698 I699	I691-I695 HydrophobicContact CG2-CD1 3.52Å; I691-I695 HydrophobicContact CG2-CG1 4Å; I691-I695 WeakPolarHBondContact O-CG1 3.2Å; I691-I695 PolarHBondContact O-N 3.34Å; I691-I695 VanDerWaalsContact O-N 3.07Å; I695-L697 PolarHBondContact O-N 3.23Å; I695-I698 PolarHBondContact O-N 2.99Å; I695-I699 HydrophobicContact CG2-CD1 3.8Å; I695-I699 WeakPolarHBondContact O-CG1 3.44Å; I695-I699 PolarHBondContact O-N 2.92Å
696	P	69.5	Low	71.4	Confident	67 Å²	67	71.7 Å²	71.7	44%	0.435	39%	0.386	S	S	.	.	H	α-helix	trans	-63.7	-29	179.8	21.9	-31.1	0	0	0	112.5	S692 L693 I699 S700	S692-P696 WeakPolarHBondContact O-CD 3.29Å; S692-P696 WeakPolarHBondContact O-CG 3.48Å; L693-P696 WeakPolarHBondContact O-CD 3.35Å; L693-P696 WeakPolarHBondContact O-CG 3.39Å; P696-I699 PolarHBondContact O-N 3.2Å; P696-S700 VanDerWaalsContact O-CB 3.31Å; P696-S700 WeakPolarHBondContact O-CB 3.44Å; P696-S700 PolarHBondContact O-N 3.38Å
697	L	68.8	Low	71.6	Confident	55 Å²	55	74.9 Å²	74.9	29%	0.288	41%	0.405	S	S	.	.	H	α-helix	trans	-71.8	-40.9	176.3	-161.7	158	0	0	0	112	V11 L693 L694 I695 I699 S700 L701	V11-L697 HydrophobicContact CB-CD2 4.48Å; V11-L697 HydrophobicContact CG1-CD1 3.78Å; V11-L697 HydrophobicContact CG1-CD2 3.74Å; V11-L697 HydrophobicContact CG1-CG 4.31Å; V11-L697 HydrophobicContact CG2-CD2 4.09Å; L693-L697 VanDerWaalsContact O-CB 3.3Å; L693-L697 WeakPolarHBondContact O-CB 3.41Å; L693-L697 PolarHBondContact O-N 3.28Å; L694-L697 PolarHBondContact O-N 3.48Å; I695-L697 PolarHBondContact O-N 3.23Å; L697-I699 VanDerWaalsContact C-N 3.31Å; L697-I699 PolarHBondContact O-N 3.03Å; L697-S700 WeakPolarHBondContact O-CB 3.24Å; L697-S700 PolarHBondContact O-N 2.89Å; L697-L701 HydrophobicContact CD2-CD1 3.6Å; L697-L701 HydrophobicContact CD2-CG 4.23Å; L697-L701 WeakPolarHBondContact O-CB 3.27Å; L697-L701 PolarHBondContact O-N 3.22Å
698	I	73.4	Confident	71.7	Confident	67 Å²	67	80.7 Å²	80.7	34%	0.344	43%	0.43	S	S	.	.	H	α-helix	trans	-61.4	-42.1	171.4	-69.6	169.6	0	0	0	110.6	L694 I695 L701 T702	L694-I698 HydrophobicContact CD2-CD1 3.55Å; L694-I698 HydrophobicContact CG-CD1 4.07Å; L694-I698 VanDerWaalsContact O-CG1 3.29Å; L694-I698 WeakPolarHBondContact O-CG1 3.49Å; L694-I698 PolarHBondContact O-N 3.42Å; I695-I698 PolarHBondContact O-N 2.99Å; I698-L701 PolarHBondContact O-N 2.82Å; I698-T702 WeakPolarHBondContact O-CB 3.37Å; I698-T702 WeakPolarHBondContact O-CG2 3.46Å; I698-T702 PolarHBondContact O-N 3.46Å; I698-T702 PolarHBondContact O-OG1 2.92Å
699	I	77.5	Confident	72.5	Confident	93 Å²	93	81 Å²	81	48%	0.477	43%	0.431	S	S	.	.	H	α-helix	trans	-62.9	-45.1	175.4	-65.4	167.5	0	0	0	110.2	I695 P696 L697 L701 T702 V703	I695-I699 HydrophobicContact CG2-CD1 3.8Å; I695-I699 WeakPolarHBondContact O-CG1 3.44Å; I695-I699 PolarHBondContact O-N 2.92Å; P696-I699 PolarHBondContact O-N 3.2Å; L697-I699 VanDerWaalsContact C-N 3.31Å; L697-I699 PolarHBondContact O-N 3.03Å; I699-L701 PolarHBondContact O-N 3.3Å; I699-T702 WeakPolarHBondContact CA-OG1 3.47Å; I699-T702 PolarHBondContact O-N 2.96Å; I699-T702 PolarHBondContact O-OG1 3.35Å; I699-V703 HydrophobicContact CG2-CG2 4.29Å; I699-V703 WeakPolarHBondContact O-CB 3.49Å; I699-V703 VanDerWaalsContact O-CG2 3.26Å; I699-V703 WeakPolarHBondContact O-CG2 3.47Å; I699-V703 PolarHBondContact O-N 3.43Å
700	S	76.9	Confident	73.2	Confident	69 Å²	69	87.5 Å²	87.5	48%	0.483	45%	0.453	S	S	.	.	H	α-helix	trans	-59.8	-45.2	176.7	-178.3	0	0	0	0	112	P696 L697 S704	P696-S700 VanDerWaalsContact O-CB 3.31Å; P696-S700 WeakPolarHBondContact O-CB 3.44Å; P696-S700 PolarHBondContact O-N 3.38Å; L697-S700 WeakPolarHBondContact O-CB 3.24Å; L697-S700 PolarHBondContact O-N 2.89Å; S700-S704 VanDerWaalsContact O-CB 3.29Å; S700-S704 WeakPolarHBondContact O-CB 3.35Å; S700-S704 PolarHBondContact O-N 3.47Å; S700-S704 PolarHBondContact O-OG 3.49Å
701	L	75.2	Confident	73.8	Confident	40 Å²	40	84.2 Å²	84.2	21%	0.209	45%	0.45	C	S	.	.	H	α-helix	trans	-64.6	-42.7	178.2	-94.3	166.9	0	0	0	112	L4 V7 I8 L697 I698 I699 S704 F705	L4-L701 HydrophobicContact CD1-CD2 4.13Å; V7-L701 HydrophobicContact CG1-CD1 4.12Å; V7-L701 HydrophobicContact CG1-CD2 4.43Å; I8-L701 HydrophobicContact CG1-CD1 4.31Å; L697-L701 HydrophobicContact CD2-CD1 3.6Å; L697-L701 HydrophobicContact CD2-CG 4.23Å; L697-L701 WeakPolarHBondContact O-CB 3.27Å; L697-L701 PolarHBondContact O-N 3.22Å; I698-L701 PolarHBondContact O-N 2.82Å; I699-L701 PolarHBondContact O-N 3.3Å; L701-S704 PolarHBondContact O-N 3.18Å; L701-F705 WeakPolarHBondContact O-CB 3.32Å; L701-F705 PolarHBondContact O-N 3.43Å
702	T	78	Confident	74.4	Confident	62 Å²	62	82.9 Å²	82.9	38%	0.38	45%	0.449	S	S	.	.	H	α-helix	trans	-66.7	-43.5	178.4	46.4	0	0	0	0	111.7	I698 I699 F705 F706	I698-T702 WeakPolarHBondContact O-CB 3.37Å; I698-T702 WeakPolarHBondContact O-CG2 3.46Å; I698-T702 PolarHBondContact O-N 3.46Å; I698-T702 PolarHBondContact O-OG1 2.92Å; I699-T702 WeakPolarHBondContact CA-OG1 3.47Å; I699-T702 PolarHBondContact O-N 2.96Å; I699-T702 PolarHBondContact O-OG1 3.35Å; T702-F705 PolarHBondContact O-N 3.01Å; T702-F706 WeakPolarHBondContact O-CD2 3.47Å; T702-F706 PolarHBondContact O-N 3.34Å
703	V	79.5	Confident	75	Confident	83 Å²	83	83.6 Å²	83.6	50%	0.503	45%	0.445	S	S	.	.	H	α-helix	trans	-61.9	-45.1	174	172.8	0	0	0	0	110.8	I699 F705 F706 V707	I699-V703 HydrophobicContact CG2-CG2 4.29Å; I699-V703 WeakPolarHBondContact O-CB 3.49Å; I699-V703 VanDerWaalsContact O-CG2 3.26Å; I699-V703 WeakPolarHBondContact O-CG2 3.47Å; I699-V703 PolarHBondContact O-N 3.43Å; V703-F705 VanDerWaalsContact C-N 3.28Å; V703-F705 PolarHBondContact O-N 2.98Å; V703-F706 PolarHBondContact O-N 3.05Å; V703-V707 HydrophobicContact CG1-CG2 4.37Å; V703-V707 WeakPolarHBondContact O-CG2 3.47Å; V703-V707 PolarHBondContact O-N 2.74Å
704	S	78.9	Confident	75	Confident	59 Å²	59	83.5 Å²	83.5	41%	0.413	45%	0.445	S	S	.	.	H	α-helix	trans	-60.6	-39.2	178.1	-56.6	0	0	0	0	111.8	S700 L701 V707 F708	S700-S704 VanDerWaalsContact O-CB 3.29Å; S700-S704 WeakPolarHBondContact O-CB 3.35Å; S700-S704 PolarHBondContact O-N 3.47Å; S700-S704 PolarHBondContact O-OG 3.49Å; L701-S704 PolarHBondContact O-N 3.18Å; S704-V707 PolarHBondContact O-N 2.96Å; S704-F708 WeakPolarHBondContact O-CB 3.3Å; S704-F708 PolarHBondContact O-N 3.33Å
705	F	80.5	Confident	74.6	Confident	99 Å²	99	88.1 Å²	88.1	43%	0.434	47%	0.469	S	S	.	.	H	α-helix	trans	-65	-43.3	175.9	-177.9	-94.9	0	0	0	112.3	L701 T702 V703 F708 T709	L701-F705 WeakPolarHBondContact O-CB 3.32Å; L701-F705 PolarHBondContact O-N 3.43Å; T702-F705 PolarHBondContact O-N 3.01Å; V703-F705 VanDerWaalsContact C-N 3.28Å; V703-F705 PolarHBondContact O-N 2.98Å; F705-F708 PolarHBondContact O-N 3.17Å; F705-T709 HydrophobicContact CD1-CG2 4.44Å; F705-T709 HydrophobicContact CE1-CG2 3.92Å; F705-T709 HydrophobicContact CE2-CG2 4.38Å; F705-T709 HydrophobicContact CZ-CG2 3.89Å; F705-T709 PolarHBondContact O-N 2.97Å; F705-T709 PolarHBondContact O-OG1 2.92Å
706	F	80.3	Confident	74	Confident	150 Å²	150	86.7 Å²	86.7	66%	0.658	47%	0.471	S	S	*	.	H	α-helix	trans	-64.9	-39.3	175.8	-89.1	-72.1	0	0	0	112.5	T702 V703 T709 W710	T702-F706 WeakPolarHBondContact O-CD2 3.47Å; T702-F706 PolarHBondContact O-N 3.34Å; V703-F706 PolarHBondContact O-N 3.05Å; F706-T709 VanDerWaalsContact CA-OG1 3.32Å; F706-T709 WeakPolarHBondContact CA-OG1 3.44Å; F706-T709 PolarHBondContact O-OG1 3.33Å; F706-T709 VanDerWaalsContact O-OG1 3.05Å; F706-W710 VanDerWaalsContact O-CB 3.29Å; F706-W710 WeakPolarHBondContact O-CB 3.29Å; F706-W710 PolarHBondContact O-N 3.45Å
707	V	79.1	Confident	73.3	Confident	76 Å²	76	88.4 Å²	88.4	46%	0.461	48%	0.481	S	S	.	.	H	α-helix	trans	-65.8	-43.6	175.5	173.4	0	0	0	0	111	V703 S704 W710 C711	V703-V707 HydrophobicContact CG1-CG2 4.37Å; V703-V707 WeakPolarHBondContact O-CG2 3.47Å; V703-V707 PolarHBondContact O-N 2.74Å; S704-V707 PolarHBondContact O-N 2.96Å; V707-W710 PolarHBondContact O-N 3.18Å; V707-C711 PolarHBondContact O-N 3.4Å; V707-C711 PolarHBondContact O-SG 3.36Å; V707-C711 VanDerWaalsContact O-SG 3.39Å
708	F	76.8	Confident	72.6	Confident	153 Å²	153	92.7 Å²	92.7	67%	0.671	50%	0.504	S	S	*	.	H	α-helix	trans	-63.3	-44.2	177.8	-114.3	-79.9	0	0	0	112.5	S704 F705 W710 C711 C712	S704-F708 WeakPolarHBondContact O-CB 3.3Å; S704-F708 PolarHBondContact O-N 3.33Å; F705-F708 PolarHBondContact O-N 3.17Å; F708-W710 VanDerWaalsContact C-N 3.33Å; F708-C711 PolarHBondContact O-N 3.39Å; F708-C712 PolarHBondContact O-N 3.34Å; F708-C712 PolarHBondContact O-SG 3Å; F708-C712 VanDerWaalsContact O-SG 3.34Å
709	T	80	Confident	71.1	Confident	53 Å²	53	96.5 Å²	96.5	33%	0.325	54%	0.537	S	S	.	.	H	α-helix	trans	-64.6	-39.3	177.1	38.3	0	0	0	0	111.6	F705 F706 C712 D713	F705-T709 HydrophobicContact CD1-CG2 4.44Å; F705-T709 HydrophobicContact CE1-CG2 3.92Å; F705-T709 HydrophobicContact CE2-CG2 4.38Å; F705-T709 HydrophobicContact CZ-CG2 3.89Å; F705-T709 PolarHBondContact O-N 2.97Å; F705-T709 PolarHBondContact O-OG1 2.92Å; F706-T709 VanDerWaalsContact CA-OG1 3.32Å; F706-T709 WeakPolarHBondContact CA-OG1 3.44Å; F706-T709 PolarHBondContact O-OG1 3.33Å; F706-T709 VanDerWaalsContact O-OG1 3.05Å; T709-C712 PolarHBondContact O-N 3.37Å; T709-D713 PolarHBondContact O-N 2.99Å
710	W	78.2	Confident	70.8	Confident	175 Å²	175	96.7 Å²	96.7	66%	0.663	54%	0.54	S	S	*	.	H	α-helix	trans	-67	-38.7	176.1	-165.8	44.3	0	0	0	113.2	F706 V707 F708 D713 L714	F706-W710 VanDerWaalsContact O-CB 3.29Å; F706-W710 WeakPolarHBondContact O-CB 3.29Å; F706-W710 PolarHBondContact O-N 3.45Å; V707-W710 PolarHBondContact O-N 3.18Å; F708-W710 VanDerWaalsContact C-N 3.33Å; W710-D713 PolarHBondContact O-N 3Å; W710-L714 HydrophobicContact CD2-CD1 4.14Å; W710-L714 HydrophobicContact CE3-CD1 4.45Å; W710-L714 HydrophobicContact CZ2-CD1 4.41Å; W710-L714 WeakPolarHBondContact O-CG 3.49Å; W710-L714 PolarHBondContact O-N 3.15Å
711	C	75.5	Confident	70.5	Confident	66 Å²	66	98.2 Å²	98.2	45%	0.446	54%	0.543	S	S	.	.	H	α-helix	trans	-63.9	-39.2	172.8	-73.3	0	0	0	0	112.4	V707 F708 L714 D715	V707-C711 PolarHBondContact O-N 3.4Å; V707-C711 PolarHBondContact O-SG 3.36Å; V707-C711 VanDerWaalsContact O-SG 3.39Å; F708-C711 PolarHBondContact O-N 3.39Å; C711-L714 PolarHBondContact O-N 2.85Å; C711-D715 PolarHBondContact O-N 3.34Å; C711-D715 VanDerWaalsContact O-N 3.15Å
712	C	75.5	Confident	70.2	Confident	79 Å²	79	101.4 Å²	101.4	53%	0.534	56%	0.561	S	S	.	*	H	α-helix	trans	-67.1	-36.5	175.7	-69.8	0	0	0	0	112.7	F708 T709 A716	F708-C712 PolarHBondContact O-N 3.34Å; F708-C712 PolarHBondContact O-SG 3Å; F708-C712 VanDerWaalsContact O-SG 3.34Å; T709-C712 PolarHBondContact O-N 3.37Å; C712-A716 PolarHBondContact O-N 3.17Å
713	D	72.9	Confident	69.8	Low	111 Å²	111	103.7 Å²	103.7	59%	0.594	57%	0.572	S	S	*	*	H	α-helix	trans	-68.5	-34.6	174	-86.6	-14.5	0	0	0	112	T709 W710 A716 T717	T709-D713 PolarHBondContact O-N 2.99Å; W710-D713 PolarHBondContact O-N 3Å; D713-A716 PolarHBondContact O-N 3.31Å; D713-T717 PolarHBondContact O-N 3.39Å; D713-T717 PolarHBondContact O-OG1 3.21Å
714	L	63.1	Low	69.2	Low	76 Å²	76	105 Å²	105	40%	0.398	58%	0.576	S	S	.	*	H	α-helix	trans	-66.2	-40.1	176.2	-83.4	160.9	0	0	0	112.6	W710 C711 A716 T717 N718	W710-L714 HydrophobicContact CD2-CD1 4.14Å; W710-L714 HydrophobicContact CE3-CD1 4.45Å; W710-L714 HydrophobicContact CZ2-CD1 4.41Å; W710-L714 WeakPolarHBondContact O-CG 3.49Å; W710-L714 PolarHBondContact O-N 3.15Å; C711-L714 PolarHBondContact O-N 2.85Å; L714-A716 VanDerWaalsContact C-N 3.31Å; L714-T717 PolarHBondContact O-N 3.29Å; L714-T717 PolarHBondContact O-OG1 3.35Å; L714-N718 PolarHBondContact O-N 3.42Å
715	D	56.9	Low	68.5	Low	126 Å²	126	108.1 Å²	108.1	67%	0.674	59%	0.587	S	S	*	*	H	α-helix	trans	-65.8	-34.8	173.4	-91	-14.3	0	0	0	111.8	C711 T717 N718 S719	C711-D715 PolarHBondContact O-N 3.34Å; C711-D715 VanDerWaalsContact O-N 3.15Å; D715-T717 VanDerWaalsContact C-N 3.26Å; D715-T717 PolarHBondContact O-N 3.47Å; D715-N718 PolarHBondContact O-N 3.5Å; D715-S719 PolarHBondContact O-N 3.26Å
716	A	57.4	Low	67.6	Low	61 Å²	61	108.7 Å²	108.7	50%	0.504	60%	0.598	S	S	.	*	H	α-helix	trans	-69.3	-21.9	175.9	0	0	0	0	0	113.6	C712 D713 L714 S719	C712-A716 PolarHBondContact O-N 3.17Å; D713-A716 PolarHBondContact O-N 3.31Å; L714-A716 VanDerWaalsContact C-N 3.31Å; A716-S719 PolarHBondContact O-OG 3.37Å
717	T	55.5	Low	66.7	Low	104 Å²	104	105.5 Å²	105.5	64%	0.638	59%	0.593	S	S	*	*	H	α-helix	trans	-88.5	-13.5	176.2	52	0	0	0	0	114.7	D713 L714 D715	D713-T717 PolarHBondContact O-N 3.39Å; D713-T717 PolarHBondContact O-OG1 3.21Å; L714-T717 PolarHBondContact O-N 3.29Å; L714-T717 PolarHBondContact O-OG1 3.35Å; D715-T717 VanDerWaalsContact C-N 3.26Å; D715-T717 PolarHBondContact O-N 3.47Å
718	N	52.6	Low	65.6	Low	145 Å²	145	108 Å²	108	78%	0.775	60%	0.604	S	S	*	*			trans	-104.8	1.9	179.3	-77.9	-27.9	0	0	0	114	L714 D715	L714-N718 PolarHBondContact O-N 3.42Å; D715-N718 PolarHBondContact O-N 3.5Å
719	S	43.5	Very low	64.6	Low	147 Å²	147	103.9 Å²	103.9	100%	1.028	60%	0.598	S	S	*	*			trans	-100.2	0	165.7	66.6	0	0	0	0	110.8	D715 A716	D715-S719 PolarHBondContact O-N 3.26Å; A716-S719 PolarHBondContact O-OG 3.37Å

Retrieved 719 of 719 residues in 407.7 ms (Link to these results)

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