A0A3Q0KL42_SCHMA Loading...

CUB domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KL42, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 623 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	24.9	Very low	26.7	Very low	73 Å²	73	95.3 Å²	95.3	36%	0.36	57%	0.565	S	S	.	*				0	153.2	0	-71.4	173.1	178	0	0	108	F3 D116 V117 M158	M1-F3 HydrophobicContact CB-CD2 4.37Å; M1-F3 HydrophobicContact CB-CE2 3.87Å; M1-F3 HydrophobicContact CB-CZ 4.49Å; M1-F3 HydrophobicContact SD-CE2 4.19Å; M1-F3 HydrophobicContact SD-CZ 3.89Å; M1-D116 PolarHBondContact N-OD1 3.49Å; M1-V117 HydrophobicContact CE-CB 3.96Å; M1-V117 VanDerWaalsContact CE-O 3.3Å; M1-V117 WeakPolarHBondContact CE-O 3.36Å; M1-V117 HydrophobicContact SD-CB 3.83Å; M1-V117 HydrophobicContact SD-CG2 4.27Å; M1-M158 WeakPolarHBondContact CE-O 3.29Å
2	S	21.6	Very low	27.2	Very low	77 Å²	77	104.6 Å²	104.6	54%	0.538	58%	0.583	S	S	.	*			trans	-115.7	126.2	154.4	56.5	0	0	0	0	106.3	V4	S2-V4 PolarHBondContact O-N 3.38Å
3	F	27.5	Very low	28	Very low	69 Å²	69	108.4 Å²	108.4	30%	0.303	60%	0.602	S	S	.	*			trans	-79.1	116.5	179.5	-73.4	-100.8	0	0	0	108.3	M1 W101 L115 V117	M1-F3 HydrophobicContact CB-CD2 4.37Å; M1-F3 HydrophobicContact CB-CE2 3.87Å; M1-F3 HydrophobicContact CB-CZ 4.49Å; M1-F3 HydrophobicContact SD-CE2 4.19Å; M1-F3 HydrophobicContact SD-CZ 3.89Å; F3-W101 HydrophobicContact CB-CZ3 4.48Å; F3-W101 HydrophobicContact CG-CZ3 4.4Å; F3-L115 HydrophobicContact CD2-CB 3.92Å; F3-L115 HydrophobicContact CD2-CG 4.36Å; F3-L115 HydrophobicContact CE1-CD2 3.98Å; F3-L115 HydrophobicContact CE2-CB 3.48Å; F3-L115 VanDerWaalsContact CE2-CB 3.48Å; F3-L115 HydrophobicContact CE2-CD2 3.76Å; F3-L115 HydrophobicContact CE2-CG 3.48Å; F3-L115 VanDerWaalsContact CE2-CG 3.48Å; F3-L115 VanDerWaalsContact CE2-O 3.26Å; F3-L115 WeakPolarHBondContact CE2-O 3.15Å; F3-L115 HydrophobicContact CZ-CB 4.1Å; F3-L115 HydrophobicContact CZ-CD2 3.44Å; F3-L115 VanDerWaalsContact CZ-CD2 3.44Å; F3-L115 HydrophobicContact CZ-CG 3.62Å; F3-V117 HydrophobicContact CZ-CG2 4.38Å
4	V	24.8	Very low	29.3	Very low	95 Å²	95	106.9 Å²	106.9	58%	0.576	59%	0.592	S	S	*	*			trans	-90.5	127.3	155.7	-171.3	0	0	0	0	105.9	S2 G6 D161	S2-V4 PolarHBondContact O-N 3.38Å; V4-G6 PolarHBondContact O-N 3.27Å; V4-D161 HydrophobicContact CB-CB 3.71Å; V4-D161 HydrophobicContact CG2-CB 4.11Å
5	T	29.6	Very low	30.7	Very low	44 Å²	44	101.7 Å²	101.7	27%	0.27	56%	0.563	S	S	.	*			trans	-84.3	113.9	-163.6	48.4	0	0	0	0	111	S7 Y17 I108	T5-S7 PolarHBondContact O-N 3.04Å; T5-Y17 WeakPolarHBondContact CB-OH 3.12Å; T5-Y17 HydrophobicContact CG2-CE1 4.01Å; T5-Y17 WeakPolarHBondContact CG2-OH 3.12Å; T5-I108 HydrophobicContact CG2-CG1 4.08Å; T5-I108 HydrophobicContact CG2-CG2 4.1Å; T5-I108 WeakPolarHBondContact OG1-CG2 3.17Å
6	G	26	Very low	32.1	Very low	52 Å²	52	100.6 Å²	100.6	54%	0.536	56%	0.555	S	S	.	*			trans	-70	121.7	167.4	0	0	0	0	0	110.1	V4 Y8	V4-G6 PolarHBondContact O-N 3.27Å; G6-Y8 PolarHBondContact O-N 3.09Å
7	S	25	Very low	33.6	Very low	103 Å²	103	96.6 Å²	96.6	72%	0.72	53%	0.53	S	S	*	.			trans	-70.6	123.5	177.5	48.6	0	0	0	0	110.7	T5	T5-S7 PolarHBondContact O-N 3.04Å
8	Y	28.5	Very low	34.7	Very low	201 Å²	201	94.6 Å²	94.6	79%	0.788	53%	0.528	S	S	*	.			trans	-127.6	145.9	171.6	-124.8	-96.5	0	0	0	111.6	G6	G6-Y8 PolarHBondContact O-N 3.09Å
9	N	28.7	Very low	36	Very low	130 Å²	130	90.8 Å²	90.8	70%	0.695	51%	0.509	S	S	*	.			trans	-32.7	123.6	-161.6	-137.6	-12.9	0	0	0	117.7	S11	N9-S11 PolarHBondContact O-N 3.32Å
10	S	26.3	Very low	37.3	Very low	120 Å²	120	89.6 Å²	89.6	84%	0.839	50%	0.498	S	S	*	.	S	Bend	trans	-76.1	32.9	-174.7	68.5	0	0	0	0	115.4
11	S	31	Very low	38.5	Very low	84 Å²	84	86.9 Å²	86.9	59%	0.587	48%	0.483	S	S	*	.	S	Bend	trans	-100	6.5	-178.1	76.7	0	0	0	0	113.9	N9	N9-S11 PolarHBondContact O-N 3.32Å
12	W	32.5	Very low	40.3	Very low	207 Å²	207	86.6 Å²	86.6	78%	0.784	48%	0.48	S	S	*	.	S	Bend	trans	-132.3	135.8	176.3	-59.9	75.3	0	0	0	107	N14	W12-N14 PolarHBondContact O-N 3.22Å
13	N	37.2	Very low	42.3	Very low	154 Å²	154	83 Å²	83	82%	0.824	46%	0.455	S	S	*	.	S	Bend	trans	-66.8	-3.8	-176	-70.6	-4.9	0	0	0	114.3
14	N	47.4	Very low	43.7	Very low	87 Å²	87	84.6 Å²	84.6	47%	0.465	46%	0.46	S	S	.	.	S	Bend	trans	-118.9	131.3	179.3	-55.1	-17.3	0	0	0	108.2	W12	W12-N14 PolarHBondContact O-N 3.22Å
15	L	50	Low	45	Very low	30 Å²	30	82.1 Å²	82.1	16%	0.157	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	135.7	174.5	-128.9	125	0	0	0	109.4	Y17 H102 T103 G106 I108	L15-Y17 HydrophobicContact CD2-CE1 3.83Å; L15-Y17 HydrophobicContact CD2-CE2 3.85Å; L15-Y17 WeakPolarHBondContact CD2-OH 3.33Å; L15-H102 WeakPolarHBondContact O-CA 3.42Å; L15-T103 WeakPolarHBondContact CB-OG1 2.98Å; L15-T103 PolarHBondContact O-N 3.48Å; L15-T103 VanDerWaalsContact O-N 3.09Å; L15-G106 WeakPolarHBondContact CD1-O 3.44Å; L15-I108 HydrophobicContact CD2-CD1 4.29Å; L15-I108 HydrophobicContact CD2-CG1 4.28Å
16	L	53.1	Low	45.9	Very low	84 Å²	84	84.9 Å²	84.9	44%	0.44	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	110	-171.3	-171.3	164.1	0	0	0	109.9	A18 V100 W101 H102	L16-A18 HydrophobicContact CD2-CB 4.15Å; L16-V100 HydrophobicContact CD1-CG1 4.36Å; L16-V100 HydrophobicContact CD2-CG1 3.51Å; L16-V100 HydrophobicContact CG-CG1 3.75Å; L16-W101 WeakPolarHBondContact CA-O 3.33Å; L16-H102 WeakPolarHBondContact CD1-CE1 3.39Å
17	Y	56.6	Low	46.7	Very low	33 Å²	33	83.2 Å²	83.2	13%	0.129	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	111.5	174.8	-57.1	-82.7	0	0	0	110.4	T5 L15 V100 W101 I108	T5-Y17 WeakPolarHBondContact CB-OH 3.12Å; T5-Y17 HydrophobicContact CG2-CE1 4.01Å; T5-Y17 WeakPolarHBondContact CG2-OH 3.12Å; L15-Y17 HydrophobicContact CD2-CE1 3.83Å; L15-Y17 HydrophobicContact CD2-CE2 3.85Å; L15-Y17 WeakPolarHBondContact CD2-OH 3.33Å; Y17-V100 CarbonylContact O-C 3.56Å; Y17-V100 VanDerWaalsContact O-CA 3.22Å; Y17-V100 WeakPolarHBondContact O-CA 3.33Å; Y17-W101 HydrophobicContact CD2-CB 4.29Å; Y17-W101 HydrophobicContact CD2-CD2 4.09Å; Y17-W101 AromaticContact CD2-CE3 3.83Å; Y17-W101 HydrophobicContact CD2-CE3 3.83Å; Y17-W101 HydrophobicContact CD2-CG 4.32Å; Y17-W101 HydrophobicContact CE2-CD2 4.5Å; Y17-W101 HydrophobicContact CE2-CE3 4.18Å; Y17-W101 HydrophobicContact CE2-CZ3 4.48Å; Y17-W101 PolarHBondContact N-O 3.43Å; Y17-W101 PolarHBondContact O-N 3.28Å; Y17-I108 WeakPolarHBondContact OH-CG1 3.38Å
18	A	55.1	Low	47.5	Very low	60 Å²	60	88.4 Å²	88.4	50%	0.496	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	113.6	173.2	0	0	0	0	0	111	L16 L99 V100	L16-A18 HydrophobicContact CD2-CB 4.15Å; A18-L99 CarbonylContact C-O 3.55Å; A18-L99 WeakPolarHBondContact CA-O 3.26Å; A18-V100 HydrophobicContact CB-CG2 4.31Å
19	C	58.1	Low	48.4	Very low	23 Å²	23	82.6 Å²	82.6	16%	0.155	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	135.4	168.7	175.6	0	0	0	0	109.7	S98 L99 C160	C19-S98 CarbonylContact O-C 3.57Å; C19-S98 WeakPolarHBondContact O-CA 3.07Å; C19-L99 HydrophobicContact CB-CB 4.29Å; C19-L99 PolarHBondContact N-O 2.77Å; C19-L99 PolarHBondContact O-N 3.47Å; C19-C160 VanDerWaalsContact SG-SG 3.68Å
20	K	62	Low	49.2	Very low	66 Å²	66	79.7 Å²	79.7	29%	0.287	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	104.3	175.9	-71.1	-174.4	-179.2	-177.4	0	109.8	I96 V97 F167	K20-I96 HydrophobicContact CB-CG2 3.93Å; K20-I96 HydrophobicContact CG-CG2 4.33Å; K20-V97 WeakPolarHBondContact CA-O 3.38Å; K20-F167 HydrophobicContact CD-CE2 3.92Å; K20-F167 HydrophobicContact CD-CZ 4.17Å
21	V	62.3	Low	50.3	Low	32 Å²	32	80.1 Å²	80.1	19%	0.194	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	114.7	177	-176.7	0	0	0	0	108.4	V23 I96 V97 L99	V21-V23 HydrophobicContact CG1-CG2 4.48Å; V21-V23 PolarHBondContact O-N 3.43Å; V21-I96 WeakPolarHBondContact O-CA 3.26Å; V21-V97 HydrophobicContact CB-CB 4.44Å; V21-V97 PolarHBondContact N-O 2.82Å; V21-V97 PolarHBondContact O-N 3.25Å; V21-L99 HydrophobicContact CG2-CD1 4.39Å
22	K	62.8	Low	51.3	Low	68 Å²	68	81.8 Å²	81.8	30%	0.296	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	120.9	171.9	-65.3	-178.2	-178.8	174.9	0	109.2	Y24 R95 G169	K22-Y24 HydrophobicContact CB-CD2 4Å; K22-Y24 HydrophobicContact CB-CE2 3.67Å; K22-Y24 HydrophobicContact CD-CE2 3.68Å; K22-Y24 HydrophobicContact CG-CE2 4.21Å; K22-R95 CarbonylContact C-O 3.57Å; K22-R95 WeakPolarHBondContact CA-O 3.21Å; K22-G169 VanDerWaalsContact NZ-CA 3.26Å
23	V	63.9	Low	52.3	Low	2 Å²	2	76 Å²	76	1%	0.012	39%	0.385	C	S	.	.			trans	-103.9	82.4	179.8	-179.1	0	0	0	0	107.5	V21 H44 R95 V97 M119	V21-V23 HydrophobicContact CG1-CG2 4.48Å; V21-V23 PolarHBondContact O-N 3.43Å; V23-H44 HydrophobicContact CG1-CB 4.13Å; V23-H44 VanDerWaalsContact CG1-CD2 3.45Å; V23-H44 WeakPolarHBondContact CG1-CD2 3.39Å; V23-H44 WeakPolarHBondContact CG1-ND1 3.32Å; V23-R95 PolarHBondContact N-O 2.82Å; V23-V97 HydrophobicContact CG2-CG2 3.75Å; V23-M119 HydrophobicContact CG2-CE 3.96Å
24	Y	58	Low	53.3	Low	102 Å²	102	72.2 Å²	72.2	40%	0.4	36%	0.36	S	S	.	.			trans	-92.3	131.2	170.9	-64.7	-64.3	0	0	0	109.9	K22 N26 H44 Y155	K22-Y24 HydrophobicContact CB-CD2 4Å; K22-Y24 HydrophobicContact CB-CE2 3.67Å; K22-Y24 HydrophobicContact CD-CE2 3.68Å; K22-Y24 HydrophobicContact CG-CE2 4.21Å; Y24-N26 PolarHBondContact O-N 2.94Å; Y24-H44 PolarHBondContact O-NE2 3.48Å; Y24-Y155 PolarHBondContact O-OH 2.86Å
25	P	52.2	Low	53.9	Low	42 Å²	42	74.7 Å²	74.7	27%	0.273	38%	0.381	S	S	.	.			trans	-67.7	110.4	154.2	30.8	-30.9	0	0	0	107.1	G27	P25-G27 CarbonylContact C-O 3.43Å; P25-G27 WeakPolarHBondContact CB-O 3.4Å; P25-G27 CarbonylContact O-C 3.59Å; P25-G27 PolarHBondContact O-N 3.35Å; P25-G27 VanDerWaalsContact O-N 3.1Å; P25-G27 VanDerWaalsContact O-O 3.11Å
26	N	47.9	Very low	54.3	Low	102 Å²	102	76.6 Å²	76.6	55%	0.545	39%	0.389	S	S	.	.	S	Bend	trans	-65.5	-10	-177.7	-86	-7.7	0	0	0	113.9	Y24 S142 F144	Y24-N26 PolarHBondContact O-N 2.94Å; N26-S142 VanDerWaalsContact CB-O 3.29Å; N26-S142 WeakPolarHBondContact CB-O 3.32Å; N26-S142 PolarHBondContact ND2-O 3.27Å; N26-F144 WeakPolarHBondContact ND2-CE2 3.43Å
27	G	43.1	Very low	54.6	Low	17 Å²	17	73.1 Å²	73.1	18%	0.175	37%	0.374	C	S	.	.	S	Bend	trans	-113.4	150.9	160.8	0	0	0	0	0	110.3	P25 G141	P25-G27 CarbonylContact C-O 3.43Å; P25-G27 WeakPolarHBondContact CB-O 3.4Å; P25-G27 CarbonylContact O-C 3.59Å; P25-G27 PolarHBondContact O-N 3.35Å; P25-G27 VanDerWaalsContact O-N 3.1Å; P25-G27 VanDerWaalsContact O-O 3.11Å; G27-G141 PolarHBondContact N-O 3.33Å
28	R	40.8	Very low	54.8	Low	213 Å²	213	75.7 Å²	75.7	80%	0.804	39%	0.386	S	S	*	.			trans	-47.5	146.9	155.3	-83.6	178.6	173	173.3	-2.6	108.4	L30	R28-L30 HydrophobicContact CB-CD1 4.01Å; R28-L30 HydrophobicContact CB-CD2 4.19Å; R28-L30 HydrophobicContact CB-CG 3.7Å; R28-L30 WeakPolarHBondContact O-CG 3.32Å; R28-L30 PolarHBondContact O-N 2.9Å
29	L	47.9	Very low	55.2	Low	78 Å²	78	73.1 Å²	73.1	41%	0.408	37%	0.365	S	S	.	.			trans	-61.9	75.1	161.3	-95.9	156.7	0	0	0	108.6	H31	L29-H31 PolarHBondContact O-N 2.99Å; L29-H31 VanDerWaalsContact O-N 3.08Å
30	L	45.2	Very low	55.1	Low	69 Å²	69	72.9 Å²	72.9	36%	0.361	36%	0.364	S	S	.	.			trans	-79.7	96.8	178.3	-69.6	151.4	0	0	0	104.9	R28 Y32 T39	R28-L30 HydrophobicContact CB-CD1 4.01Å; R28-L30 HydrophobicContact CB-CD2 4.19Å; R28-L30 HydrophobicContact CB-CG 3.7Å; R28-L30 WeakPolarHBondContact O-CG 3.32Å; R28-L30 PolarHBondContact O-N 2.9Å; L30-Y32 HydrophobicContact CB-CD1 4.43Å; L30-Y32 HydrophobicContact CB-CD2 3.43Å; L30-Y32 VanDerWaalsContact CB-CD2 3.43Å; L30-Y32 HydrophobicContact CB-CE1 4.37Å; L30-Y32 HydrophobicContact CB-CE2 3.35Å; L30-Y32 HydrophobicContact CB-CG 4.01Å; L30-Y32 HydrophobicContact CD1-CE2 3.64Å; L30-Y32 HydrophobicContact CD2-CE1 4.43Å; L30-Y32 HydrophobicContact CD2-CE2 4.49Å; L30-Y32 HydrophobicContact CG-CD2 4.49Å; L30-Y32 HydrophobicContact CG-CE2 3.96Å; L30-Y32 PolarHBondContact O-N 3.19Å; L30-T39 PolarHBondContact O-OG1 2.85Å
31	H	49.6	Very low	54.9	Low	130 Å²	130	73.3 Å²	73.3	60%	0.602	36%	0.364	S	S	*	.			trans	-61.5	74.9	156.1	-79.4	-45.5	0	0	0	108.3	L29 S33 T39 S40	L29-H31 PolarHBondContact O-N 2.99Å; L29-H31 VanDerWaalsContact O-N 3.08Å; H31-S33 PolarHBondContact O-N 3.43Å; H31-T39 PolarHBondContact ND1-O 3.44Å; H31-T39 VanDerWaalsContact ND1-O 3.14Å; H31-S40 PolarHBondContact CE1-O 3.45Å
32	Y	52	Low	55	Low	118 Å²	118	72.4 Å²	72.4	46%	0.463	36%	0.357	S	S	.	.			trans	-78	110.1	168.8	-73.3	-62.9	0	0	0	107.5	L30 Y34	L30-Y32 HydrophobicContact CB-CD1 4.43Å; L30-Y32 HydrophobicContact CB-CD2 3.43Å; L30-Y32 VanDerWaalsContact CB-CD2 3.43Å; L30-Y32 HydrophobicContact CB-CE1 4.37Å; L30-Y32 HydrophobicContact CB-CE2 3.35Å; L30-Y32 HydrophobicContact CB-CG 4.01Å; L30-Y32 HydrophobicContact CD1-CE2 3.64Å; L30-Y32 HydrophobicContact CD2-CE1 4.43Å; L30-Y32 HydrophobicContact CD2-CE2 4.49Å; L30-Y32 HydrophobicContact CG-CD2 4.49Å; L30-Y32 HydrophobicContact CG-CE2 3.96Å; L30-Y32 PolarHBondContact O-N 3.19Å; Y32-Y34 WeakPolarHBondContact CB-OH 3.34Å; Y32-Y34 HydrophobicContact CD2-CE2 4.38Å; Y32-Y34 WeakPolarHBondContact CD2-OH 3.35Å; Y32-Y34 AromaticContact CG-CE2 4Å; Y32-Y34 HydrophobicContact CG-CE2 4Å; Y32-Y34 AromaticContact CG-CZ 3.82Å; Y32-Y34 VanDerWaalsContact O-CD2 3.3Å; Y32-Y34 WeakPolarHBondContact O-CD2 3.43Å; Y32-Y34 PolarHBondContact O-N 3.2Å
33	S	53.2	Low	55	Low	86 Å²	86	71.6 Å²	71.6	60%	0.601	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	107.4	168	-54	0	0	0	0	108.9	H31 H38	H31-S33 PolarHBondContact O-N 3.43Å; S33-H38 WeakPolarHBondContact CA-ND1 3.22Å; S33-H38 VanDerWaalsContact CB-CE1 3.4Å; S33-H38 WeakPolarHBondContact CB-CE1 3.41Å; S33-H38 WeakPolarHBondContact CB-ND1 3.28Å; S33-H38 PolarHBondContact OG-CE1 3.47Å; S33-H38 PolarHBondContact OG-ND1 3.29Å
34	Y	59.3	Low	55.2	Low	74 Å²	74	71.5 Å²	71.5	29%	0.29	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	155.8	169.5	-59	-82	0	0	0	109.1	Y32 E36 G37 F129 R137	Y32-Y34 WeakPolarHBondContact CB-OH 3.34Å; Y32-Y34 HydrophobicContact CD2-CE2 4.38Å; Y32-Y34 WeakPolarHBondContact CD2-OH 3.35Å; Y32-Y34 AromaticContact CG-CE2 4Å; Y32-Y34 HydrophobicContact CG-CE2 4Å; Y32-Y34 AromaticContact CG-CZ 3.82Å; Y32-Y34 VanDerWaalsContact O-CD2 3.3Å; Y32-Y34 WeakPolarHBondContact O-CD2 3.43Å; Y32-Y34 PolarHBondContact O-N 3.2Å; Y34-E36 PolarHBondContact O-N 3.23Å; Y34-E36 VanDerWaalsContact O-N 3.13Å; Y34-G37 WeakPolarHBondContact CA-O 3.42Å; Y34-G37 WeakPolarHBondContact CB-O 3.26Å; Y34-G37 PolarHBondContact N-O 3.4Å; Y34-G37 PolarHBondContact O-N 3.42Å; Y34-F129 AromaticContact CD2-CE1 3.76Å; Y34-F129 HydrophobicContact CD2-CE1 3.76Å; Y34-F129 HydrophobicContact CD2-CZ 4Å; Y34-F129 HydrophobicContact CG-CE1 4.18Å; Y34-R137 VanDerWaalsContact CD1-NH1 3.3Å; Y34-R137 VanDerWaalsContact CG-NH1 3.29Å
35	P	58.5	Low	55.5	Low	140 Å²	140	70.3 Å²	70.3	91%	0.909	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.9	171.4	25.1	-34.8	0	0	0	113
36	E	60	Low	56.4	Low	69 Å²	69	68.4 Å²	68.4	32%	0.322	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-15.5	173.6	-67.7	155.3	-156	0	0	113.7	Y34 G127 T128 F129 R137	Y34-E36 PolarHBondContact O-N 3.23Å; Y34-E36 VanDerWaalsContact O-N 3.13Å; E36-G127 CarbonylContact O-C 3.51Å; E36-G127 WeakPolarHBondContact O-CA 3.22Å; E36-T128 PolarHBondContact O-N 3.04Å; E36-T128 PolarHBondContact O-OG1 2.95Å; E36-F129 HydrophobicContact CB-CD1 3.97Å; E36-F129 HydrophobicContact CB-CE1 4.09Å; E36-F129 WeakPolarHBondContact OE2-CD1 3.45Å; E36-R137 IonicContact OE2-CZ 3.27Å; E36-R137 IonicContact OE2-NH2 2.72Å; E36-R137 PolarHBondContact OE2-NH2 2.72Å
37	G	58.8	Low	57.4	Low	12 Å²	12	69.1 Å²	69.1	12%	0.124	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	138.9	-169.8	-173.4	0	0	0	0	0	114.6	Y34 E126 F129	Y34-G37 WeakPolarHBondContact CA-O 3.42Å; Y34-G37 WeakPolarHBondContact CB-O 3.26Å; Y34-G37 PolarHBondContact N-O 3.4Å; Y34-G37 PolarHBondContact O-N 3.42Å; G37-E126 CarbonylContact C-O 3.59Å; G37-E126 WeakPolarHBondContact CA-O 3.33Å; G37-F129 WeakPolarHBondContact O-CZ 3.44Å
38	H	61.2	Low	58.5	Low	86 Å²	86	68.4 Å²	68.4	40%	0.398	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	149.1	-177.2	-54.7	-97.1	0	0	0	111.8	S33 E126	S33-H38 WeakPolarHBondContact CA-ND1 3.22Å; S33-H38 VanDerWaalsContact CB-CE1 3.4Å; S33-H38 WeakPolarHBondContact CB-CE1 3.41Å; S33-H38 WeakPolarHBondContact CB-ND1 3.28Å; S33-H38 PolarHBondContact OG-CE1 3.47Å; S33-H38 PolarHBondContact OG-ND1 3.29Å; H38-E126 PolarHBondContact N-O 3.46Å; H38-E126 PolarHBondContact O-N 2.92Å
39	T	62.2	Low	59.7	Low	6 Å²	6	59.5 Å²	59.5	4%	0.037	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	109.4	166.2	48.4	0	0	0	0	108.1	L30 H31 M123 F125 F129	L30-T39 PolarHBondContact O-OG1 2.85Å; H31-T39 PolarHBondContact ND1-O 3.44Å; H31-T39 VanDerWaalsContact ND1-O 3.14Å; T39-M123 HydrophobicContact CG2-CE 3.57Å; T39-F125 HydrophobicContact CG2-CD1 3.7Å; T39-F125 HydrophobicContact CG2-CE1 3.67Å; T39-F129 HydrophobicContact CG2-CZ 4.35Å
40	S	57.3	Low	60.7	Low	19 Å²	19	56.1 Å²	56.1	13%	0.133	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-33.9	-163.1	63.9	0	0	0	0	114.8	H31 R124 E126	H31-S40 PolarHBondContact CE1-O 3.45Å; S40-R124 PolarHBondContact N-O 2.67Å; S40-R124 VanDerWaalsContact N-O 3.09Å; S40-R124 WeakPolarHBondContact OG-CG 3.43Å; S40-E126 VanDerWaalsContact CB-CD 3.45Å; S40-E126 WeakPolarHBondContact CB-OE1 3.46Å; S40-E126 WeakPolarHBondContact CB-OE2 3.14Å; S40-E126 PolarHBondContact OG-OE1 3.22Å
41	Y	57.6	Low	61.8	Low	75 Å²	75	57.3 Å²	57.3	29%	0.294	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	148.5	-166.4	-174.4	-123	0	0	0	113.7	F43 D91 R124	Y41-F43 HydrophobicContact CD1-CB 4.34Å; Y41-F43 HydrophobicContact CD1-CD1 4Å; Y41-F43 HydrophobicContact CE1-CB 3.69Å; Y41-F43 HydrophobicContact CE1-CD1 4.05Å; Y41-F43 HydrophobicContact CE1-CG 4.32Å; Y41-D91 VanDerWaalsContact OH-CA 3.31Å; Y41-D91 WeakPolarHBondContact OH-CA 3.32Å; Y41-D91 WeakPolarHBondContact OH-CB 3.37Å; Y41-D91 PolarHBondContact OH-OD1 3.08Å; Y41-D91 VanDerWaalsContact OH-OD1 3.09Å; Y41-R124 PolarHBondContact O-N 3.3Å
42	W	64	Low	62.9	Low	13 Å²	13	51.7 Å²	51.7	5%	0.049	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134	168.1	-72.2	88.1	0	0	0	108.8	S92 A121 Y122 M123	W42-S92 WeakPolarHBondContact O-CB 3.44Å; W42-A121 HydrophobicContact CE3-CB 4.37Å; W42-A121 HydrophobicContact CZ3-CB 4.4Å; W42-Y122 WeakPolarHBondContact CA-O 3.38Å; W42-M123 HydrophobicContact CD2-CB 4.32Å; W42-M123 HydrophobicContact CD2-CG 4.33Å; W42-M123 HydrophobicContact CE3-CB 4.14Å; W42-M123 HydrophobicContact CH2-CB 4.08Å; W42-M123 HydrophobicContact CH2-CG 4.21Å; W42-M123 HydrophobicContact CH2-SD 3.82Å; W42-M123 HydrophobicContact CZ2-CB 4.27Å; W42-M123 HydrophobicContact CZ2-CE 4.01Å; W42-M123 HydrophobicContact CZ2-CG 3.92Å; W42-M123 HydrophobicContact CZ2-SD 3.51Å; W42-M123 VanDerWaalsContact CZ2-SD 3.51Å; W42-M123 HydrophobicContact CZ3-CB 4.03Å
43	F	62.9	Low	63.6	Low	50 Å²	50	50.1 Å²	50.1	22%	0.219	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	152.4	166.4	61.7	-87.2	0	0	0	111.2	Y41 I89 Y122	Y41-F43 HydrophobicContact CD1-CB 4.34Å; Y41-F43 HydrophobicContact CD1-CD1 4Å; Y41-F43 HydrophobicContact CE1-CB 3.69Å; Y41-F43 HydrophobicContact CE1-CD1 4.05Å; Y41-F43 HydrophobicContact CE1-CG 4.32Å; F43-I89 HydrophobicContact CB-CG2 4.21Å; F43-I89 HydrophobicContact CD2-CG2 3.78Å; F43-I89 HydrophobicContact CG-CG2 4.26Å; F43-Y122 HydrophobicContact CD2-CD2 4.02Å; F43-Y122 HydrophobicContact CD2-CG 4.12Å; F43-Y122 HydrophobicContact CE1-CG 4.36Å; F43-Y122 VanDerWaalsContact CE2-CB 3.44Å; F43-Y122 HydrophobicContact CE2-CD1 4.11Å; F43-Y122 AromaticContact CE2-CD2 3.61Å; F43-Y122 HydrophobicContact CE2-CD2 3.61Å; F43-Y122 HydrophobicContact CE2-CE2 4.39Å; F43-Y122 AromaticContact CE2-CG 3.46Å; F43-Y122 HydrophobicContact CE2-CG 3.46Å; F43-Y122 VanDerWaalsContact CE2-CG 3.46Å; F43-Y122 AromaticContact CZ-CD1 3.99Å; F43-Y122 HydrophobicContact CZ-CD1 3.99Å; F43-Y122 HydrophobicContact CZ-CD2 4.25Å; F43-Y122 AromaticContact CZ-CG 3.61Å; F43-Y122 HydrophobicContact CZ-CG 3.61Å; F43-Y122 PolarHBondContact N-O 2.81Å; F43-Y122 PolarHBondContact O-N 2.88Å
44	H	67.1	Low	64.3	Low	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.7	176.6	-67.7	81.5	0	0	0	108.7	V23 Y24 I90 M119 S120 Y155	V23-H44 HydrophobicContact CG1-CB 4.13Å; V23-H44 VanDerWaalsContact CG1-CD2 3.45Å; V23-H44 WeakPolarHBondContact CG1-CD2 3.39Å; V23-H44 WeakPolarHBondContact CG1-ND1 3.32Å; Y24-H44 PolarHBondContact O-NE2 3.48Å; H44-I90 HydrophobicContact CB-CB 4.4Å; H44-I90 PolarHBondContact N-O 3.42Å; H44-I90 PolarHBondContact O-N 3.05Å; H44-M119 HydrophobicContact CB-SD 3.92Å; H44-S120 CarbonylContact C-O 3.56Å; H44-S120 WeakPolarHBondContact CA-O 2.98Å; H44-Y155 AromaticContact CD2-CE2 3.74Å; H44-Y155 AromaticContact NE2-CE2 3.46Å; H44-Y155 WeakPolarHBondContact NE2-CE2 3.35Å; H44-Y155 AromaticContact NE2-CZ 3.21Å; H44-Y155 PolarHBondContact NE2-OH 3.42Å
45	R	64.8	Low	65	Low	76 Å²	76	47.6 Å²	47.6	29%	0.287	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	113.3	171.5	-170.7	-172.7	-175.4	-178.3	3.6	108	Q88 I89 S120 Y122	R45-Q88 WeakPolarHBondContact CA-O 3.13Å; R45-I89 HydrophobicContact CG-CG1 4.45Å; R45-S120 PolarHBondContact N-O 2.93Å; R45-S120 PolarHBondContact O-N 3.36Å; R45-S120 PolarHBondContact O-OG 2.98Å; R45-Y122 HydrophobicContact CB-CD2 4.08Å; R45-Y122 HydrophobicContact CB-CE2 3.56Å; R45-Y122 HydrophobicContact CG-CE2 4.48Å
46	L	70.6	Confident	65.7	Low	2 Å²	2	45.4 Å²	45.4	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	114.7	171.1	174.7	62.1	0	0	0	107.8	I48 I61 F63 P87 Q88 I90 V97 V117 M119	L46-I48 HydrophobicContact CD1-CD1 3.92Å; L46-I48 HydrophobicContact CD1-CG1 3.83Å; L46-I48 HydrophobicContact CD2-CD1 3.73Å; L46-I48 HydrophobicContact CD2-CG1 4.43Å; L46-I48 HydrophobicContact CG-CD1 3.78Å; L46-I48 HydrophobicContact CG-CG1 3.92Å; L46-I61 HydrophobicContact CD2-CG2 4.06Å; L46-F63 HydrophobicContact CD2-CE1 3.82Å; L46-F63 HydrophobicContact CD2-CZ 4Å; L46-P87 CarbonylContact O-C 3.38Å; L46-P87 WeakPolarHBondContact O-CA 3.4Å; L46-Q88 PolarHBondContact N-O 3.47Å; L46-Q88 PolarHBondContact O-N 2.87Å; L46-I90 HydrophobicContact CB-CD1 3.51Å; L46-I90 HydrophobicContact CB-CG1 4.39Å; L46-I90 HydrophobicContact CD2-CD1 3.93Å; L46-I90 HydrophobicContact CG-CD1 4.38Å; L46-V97 HydrophobicContact CD2-CG1 3.82Å; L46-V117 HydrophobicContact CD1-CG1 3.62Å; L46-M119 HydrophobicContact CB-CE 4.04Å; L46-M119 HydrophobicContact CB-SD 4.17Å; L46-M119 HydrophobicContact CD1-CE 3.9Å; L46-M119 HydrophobicContact CG-CE 4.43Å
47	R	68.5	Low	66.1	Low	117 Å²	117	42.3 Å²	42.3	44%	0.442	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.5	169	-179.6	-172.9	-173.8	177.8	3.2	108.2	F86 Q118	R47-F86 CarbonylContact C-O 3.56Å; R47-F86 WeakPolarHBondContact CA-O 3.46Å; R47-Q118 HydrophobicContact CB-CB 4.24Å; R47-Q118 PolarHBondContact N-O 3.01Å; R47-Q118 PolarHBondContact O-N 3.11Å
48	I	67.5	Low	66.8	Low	2 Å²	2	44.8 Å²	44.8	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125	174.8	-69.6	169.2	0	0	0	107.8	L46 I50 L59 I61 L80 T85 F86 L99 L115 D116 V117	L46-I48 HydrophobicContact CD1-CD1 3.92Å; L46-I48 HydrophobicContact CD1-CG1 3.83Å; L46-I48 HydrophobicContact CD2-CD1 3.73Å; L46-I48 HydrophobicContact CD2-CG1 4.43Å; L46-I48 HydrophobicContact CG-CD1 3.78Å; L46-I48 HydrophobicContact CG-CG1 3.92Å; I48-I50 HydrophobicContact CG2-CD1 3.93Å; I48-I50 HydrophobicContact CG2-CG1 3.56Å; I48-L59 HydrophobicContact CD1-CD2 4.24Å; I48-L59 HydrophobicContact CG2-CD2 3.86Å; I48-I61 HydrophobicContact CD1-CD1 3.38Å; I48-I61 HydrophobicContact CD1-CG1 3.73Å; I48-I61 HydrophobicContact CD1-CG2 4.49Å; I48-L80 HydrophobicContact CG2-CD1 4.17Å; I48-T85 CarbonylContact O-C 3.54Å; I48-T85 WeakPolarHBondContact O-CA 3.48Å; I48-F86 PolarHBondContact N-O 2.79Å; I48-F86 PolarHBondContact O-N 2.74Å; I48-L99 HydrophobicContact CD1-CD2 3.76Å; I48-L115 HydrophobicContact CG2-CD1 3.91Å; I48-D116 WeakPolarHBondContact CA-O 3.45Å; I48-V117 HydrophobicContact CG1-CG1 4.05Å; I48-V117 HydrophobicContact CG1-CG2 4.23Å
49	S	64.9	Low	67.3	Low	27 Å²	27	40.8 Å²	40.8	19%	0.189	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.8	171.7	-62.1	0	0	0	0	108.1	D116	S49-D116 PolarHBondContact N-O 2.83Å; S49-D116 PolarHBondContact O-N 2.97Å
50	I	70.6	Confident	67.7	Low	6 Å²	6	41.2 Å²	41.2	3%	0.031	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.9	-179.7	-44.4	-163.5	0	0	0	108.7	I48 F52 L59 L80 A83 F84 K114 L115	I48-I50 HydrophobicContact CG2-CD1 3.93Å; I48-I50 HydrophobicContact CG2-CG1 3.56Å; I50-F52 HydrophobicContact CD1-CE2 4.28Å; I50-F52 HydrophobicContact CD1-CZ 4.17Å; I50-F52 HydrophobicContact CG2-CB 4.43Å; I50-F52 HydrophobicContact CG2-CD1 3.33Å; I50-F52 HydrophobicContact CG2-CD2 3.57Å; I50-F52 HydrophobicContact CG2-CE1 3.34Å; I50-F52 HydrophobicContact CG2-CE2 3.55Å; I50-F52 HydrophobicContact CG2-CG 3.47Å; I50-F52 VanDerWaalsContact CG2-CG 3.47Å; I50-F52 HydrophobicContact CG2-CZ 3.47Å; I50-F52 VanDerWaalsContact CG2-CZ 3.47Å; I50-L59 HydrophobicContact CD1-CB 3.7Å; I50-L59 HydrophobicContact CD1-CD2 3.65Å; I50-L59 HydrophobicContact CD1-CG 4.32Å; I50-L80 HydrophobicContact CD1-CB 3.55Å; I50-L80 HydrophobicContact CD1-CD1 3.78Å; I50-L80 HydrophobicContact CD1-CG 4.32Å; I50-L80 HydrophobicContact CG1-CD1 4.47Å; I50-A83 CarbonylContact O-C 3.53Å; I50-A83 VanDerWaalsContact O-CA 3.24Å; I50-A83 WeakPolarHBondContact O-CA 3.43Å; I50-F84 PolarHBondContact N-O 2.86Å; I50-F84 PolarHBondContact O-N 2.59Å; I50-K114 CarbonylContact C-O 3.5Å; I50-L115 HydrophobicContact CD1-CD1 4.19Å; I50-L115 HydrophobicContact CG1-CD1 3.8Å
51	N	67.7	Low	68.4	Low	94 Å²	94	40.3 Å²	40.3	50%	0.503	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	82.1	166	-175.2	7.4	0	0	0	107.6	S113 K114	N51-S113 CarbonylContact O-C 3.52Å; N51-S113 VanDerWaalsContact O-CA 3.32Å; N51-S113 WeakPolarHBondContact O-CA 3.46Å; N51-K114 HydrophobicContact CB-CB 4.39Å; N51-K114 PolarHBondContact N-O 2.66Å; N51-K114 PolarHBondContact O-N 2.91Å
52	F	71.8	Confident	69	Low	12 Å²	12	37 Å²	37	5%	0.053	19%	0.191	C	C	.	.			trans	-78.3	148.1	177.9	-66.1	-32.6	0	0	0	112.3	I50 S54 D57 L59 C82 W101 S113	I50-F52 HydrophobicContact CD1-CE2 4.28Å; I50-F52 HydrophobicContact CD1-CZ 4.17Å; I50-F52 HydrophobicContact CG2-CB 4.43Å; I50-F52 HydrophobicContact CG2-CD1 3.33Å; I50-F52 HydrophobicContact CG2-CD2 3.57Å; I50-F52 HydrophobicContact CG2-CE1 3.34Å; I50-F52 HydrophobicContact CG2-CE2 3.55Å; I50-F52 HydrophobicContact CG2-CG 3.47Å; I50-F52 VanDerWaalsContact CG2-CG 3.47Å; I50-F52 HydrophobicContact CG2-CZ 3.47Å; I50-F52 VanDerWaalsContact CG2-CZ 3.47Å; F52-S54 WeakPolarHBondContact CB-O 3.27Å; F52-D57 HydrophobicContact CB-CB 4.05Å; F52-D57 HydrophobicContact CD1-CB 4.38Å; F52-D57 HydrophobicContact CD2-CB 3.66Å; F52-D57 VanDerWaalsContact CD2-O 3.28Å; F52-D57 WeakPolarHBondContact CD2-O 3.44Å; F52-D57 HydrophobicContact CE2-CB 4.1Å; F52-D57 WeakPolarHBondContact CE2-O 3.3Å; F52-D57 HydrophobicContact CG-CB 3.81Å; F52-L59 HydrophobicContact CE2-CB 4.41Å; F52-L59 HydrophobicContact CZ-CB 4.02Å; F52-C82 WeakPolarHBondContact CB-O 3.46Å; F52-C82 PolarHBondContact N-O 3.09Å; F52-W101 HydrophobicContact CD1-CZ2 4.16Å; F52-W101 AromaticContact CD1-NE1 3.98Å; F52-W101 AromaticContact CE1-CD1 3.79Å; F52-W101 HydrophobicContact CE1-CD2 4.15Å; F52-W101 AromaticContact CE1-CE2 3.48Å; F52-W101 VanDerWaalsContact CE1-CE2 3.48Å; F52-W101 HydrophobicContact CE1-CG 4.34Å; F52-W101 AromaticContact CE1-CZ2 3.83Å; F52-W101 HydrophobicContact CE1-CZ2 3.83Å; F52-W101 AromaticContact CE1-NE1 3.26Å; F52-W101 VanDerWaalsContact CE1-NE1 3.26Å; F52-W101 AromaticContact CZ-CD1 3.51Å; F52-W101 HydrophobicContact CZ-CG 4.22Å; F52-W101 AromaticContact CZ-NE1 3.43Å; F52-S113 WeakPolarHBondContact CA-OG 3.41Å
53	T	67	Low	69.3	Low	86 Å²	86	36.5 Å²	36.5	53%	0.528	19%	0.19	S	C	.	.	S	Bend	trans	-70.4	-35.6	172.6	38.4	0	0	0	0	113.2	K112 S113	T53-K112 HydrophobicContact CG2-CB 3.64Å; T53-S113 PolarHBondContact N-OG 2.86Å; T53-S113 PolarHBondContact OG1-OG 2.81Å; T53-S113 VanDerWaalsContact OG1-OG 3.04Å
54	S	68.7	Low	69.4	Low	33 Å²	33	35.6 Å²	35.6	23%	0.231	19%	0.186	C	C	.	.			trans	-113.7	144.3	175.1	-174.3	0	0	0	0	110.1	F52 N56 D57 E104	F52-S54 WeakPolarHBondContact CB-O 3.27Å; S54-N56 PolarHBondContact O-N 3.06Å; S54-N56 WeakPolarHBondContact OG-CB 3.49Å; S54-N56 PolarHBondContact OG-N 2.86Å; S54-N56 VanDerWaalsContact OG-N 3.11Å; S54-D57 PolarHBondContact O-N 3.05Å; S54-E104 PolarHBondContact OG-OE2 3.41Å
55	C	74.5	Confident	69.3	Low	73 Å²	73	36.8 Å²	36.8	49%	0.493	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-10.2	167.6	-83.2	0	0	0	0	113.1	C82	C55-C82 VanDerWaalsContact CA-SG 3.55Å; C55-C82 HydrophobicContact CB-CB 4.25Å; C55-C82 WeakPolarHBondContact CB-SG 3.45Å; C55-C82 WeakPolarHBondContact SG-CB 3.41Å; C55-C82 CovalentContact SG-SG 2.04Å; C55-C82 PolarHBondContact SG-SG 3.36Å
56	N	71.4	Confident	69	Low	94 Å²	94	37.6 Å²	37.6	50%	0.503	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-15.8	175.2	-56.4	-21.8	0	0	0	111.9	S54 E104	S54-N56 PolarHBondContact O-N 3.06Å; S54-N56 WeakPolarHBondContact OG-CB 3.49Å; S54-N56 PolarHBondContact OG-N 2.86Å; S54-N56 VanDerWaalsContact OG-N 3.11Å; N56-E104 HydrophobicContact CB-CB 4Å; N56-E104 HydrophobicContact CB-CG 4.25Å; N56-E104 VanDerWaalsContact CB-OE2 3.22Å; N56-E104 WeakPolarHBondContact CB-OE2 3.26Å; N56-E104 PolarHBondContact ND2-OE1 3.11Å; N56-E104 PolarHBondContact ND2-OE2 2.83Å
57	D	70.1	Confident	68	Low	4 Å²	4	46 Å²	46	2%	0.021	24%	0.241	C	C	.	.			trans	-70.1	136.8	165.8	-60.9	-26.4	0	0	0	109	F52 S54 H102 T103 E104	F52-D57 HydrophobicContact CB-CB 4.05Å; F52-D57 HydrophobicContact CD1-CB 4.38Å; F52-D57 HydrophobicContact CD2-CB 3.66Å; F52-D57 VanDerWaalsContact CD2-O 3.28Å; F52-D57 WeakPolarHBondContact CD2-O 3.44Å; F52-D57 HydrophobicContact CE2-CB 4.1Å; F52-D57 WeakPolarHBondContact CE2-O 3.3Å; F52-D57 HydrophobicContact CG-CB 3.81Å; S54-D57 PolarHBondContact O-N 3.05Å; D57-H102 WeakPolarHBondContact CA-O 3.47Å; D57-T103 VanDerWaalsContact OD1-CA 3.28Å; D57-T103 WeakPolarHBondContact OD1-CA 3.26Å; D57-E104 PolarHBondContact OD1-N 3.5Å
58	F	72.6	Confident	67.1	Low	65 Å²	65	43.6 Å²	43.6	29%	0.285	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	142.7	178.8	66	-87.6	0	0	0	113.4	L80 T81 H102	F58-L80 CarbonylContact C-O 3.55Å; F58-L80 VanDerWaalsContact CA-O 3.27Å; F58-L80 WeakPolarHBondContact CA-O 3.31Å; F58-T81 HydrophobicContact CB-CG2 3.9Å; F58-H102 HydrophobicContact CD1-CB 3.84Å; F58-H102 HydrophobicContact CD2-CB 4.18Å; F58-H102 AromaticContact CD2-CD2 3.76Å; F58-H102 HydrophobicContact CE1-CB 3.48Å; F58-H102 VanDerWaalsContact CE1-CB 3.48Å; F58-H102 AromaticContact CE1-CG 3.88Å; F58-H102 HydrophobicContact CE2-CB 3.86Å; F58-H102 AromaticContact CE2-CD2 3.13Å; F58-H102 WeakPolarHBondContact CE2-CD2 3.25Å; F58-H102 AromaticContact CE2-CG 3.5Å; F58-H102 AromaticContact CE2-NE2 3.68Å; F58-H102 HydrophobicContact CG-CB 4.18Å; F58-H102 HydrophobicContact CZ-CB 3.5Å; F58-H102 VanDerWaalsContact CZ-CB 3.5Å; F58-H102 AromaticContact CZ-CD2 3.48Å; F58-H102 VanDerWaalsContact CZ-CD2 3.48Å; F58-H102 WeakPolarHBondContact CZ-CD2 3.29Å; F58-H102 AromaticContact CZ-CG 3.32Å; F58-H102 AromaticContact CZ-ND1 3.76Å; F58-H102 AromaticContact CZ-NE2 3.99Å; F58-H102 PolarHBondContact N-O 3.04Å; F58-H102 PolarHBondContact O-N 2.67Å
59	L	72	Confident	65.9	Low	1 Å²	1	50.3 Å²	50.3	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116	169.2	-178.2	76.3	0	0	0	109.2	I48 I50 F52 I61 N79 L80 L99 V100 W101 L115	I48-L59 HydrophobicContact CD1-CD2 4.24Å; I48-L59 HydrophobicContact CG2-CD2 3.86Å; I50-L59 HydrophobicContact CD1-CB 3.7Å; I50-L59 HydrophobicContact CD1-CD2 3.65Å; I50-L59 HydrophobicContact CD1-CG 4.32Å; F52-L59 HydrophobicContact CE2-CB 4.41Å; F52-L59 HydrophobicContact CZ-CB 4.02Å; L59-I61 HydrophobicContact CD2-CD1 4.3Å; L59-I61 HydrophobicContact CD2-CG1 3.91Å; L59-I61 HydrophobicContact CG-CG1 4.14Å; L59-N79 CarbonylContact O-C 3.59Å; L59-N79 WeakPolarHBondContact O-CA 3.33Å; L59-L80 HydrophobicContact CB-CB 4.43Å; L59-L80 PolarHBondContact N-O 2.74Å; L59-L80 PolarHBondContact O-N 2.85Å; L59-L99 HydrophobicContact CD1-CB 4.38Å; L59-V100 CarbonylContact C-O 3.58Å; L59-V100 WeakPolarHBondContact CA-O 3.45Å; L59-W101 HydrophobicContact CD1-CB 3.82Å; L59-L115 HydrophobicContact CD1-CD2 4.13Å; L59-L115 HydrophobicContact CD2-CD1 4Å; L59-L115 HydrophobicContact CD2-CD2 4.49Å
60	T	70.8	Confident	64.5	Low	15 Å²	15	55.6 Å²	55.6	9%	0.092	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120.2	168.3	-57	0	0	0	0	109.6	E77 L78 N79 V100	T60-E77 HydrophobicContact CG2-CB 4.05Å; T60-E77 HydrophobicContact CG2-CG 4.04Å; T60-L78 WeakPolarHBondContact CA-O 3.28Å; T60-N79 VanDerWaalsContact CB-OD1 3.31Å; T60-N79 WeakPolarHBondContact CB-OD1 3.45Å; T60-N79 WeakPolarHBondContact CG2-OD1 3.35Å; T60-N79 PolarHBondContact OG1-OD1 3.29Å; T60-V100 PolarHBondContact N-O 3.15Å; T60-V100 PolarHBondContact O-N 2.04Å
61	I	71.5	Confident	63	Low	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.4	174.3	-50.7	151.5	0	0	0	108.4	L46 I48 L59 F63 E77 L78 L80 V97 S98 L99	L46-I61 HydrophobicContact CD2-CG2 4.06Å; I48-I61 HydrophobicContact CD1-CD1 3.38Å; I48-I61 HydrophobicContact CD1-CG1 3.73Å; I48-I61 HydrophobicContact CD1-CG2 4.49Å; L59-I61 HydrophobicContact CD2-CD1 4.3Å; L59-I61 HydrophobicContact CD2-CG1 3.91Å; L59-I61 HydrophobicContact CG-CG1 4.14Å; I61-F63 HydrophobicContact CB-CE2 4.43Å; I61-F63 HydrophobicContact CB-CZ 4.36Å; I61-F63 HydrophobicContact CG2-CE1 3.94Å; I61-F63 HydrophobicContact CG2-CE2 3.71Å; I61-F63 HydrophobicContact CG2-CZ 3.29Å; I61-E77 CarbonylContact O-C 3.58Å; I61-E77 VanDerWaalsContact O-CA 3.25Å; I61-E77 WeakPolarHBondContact O-CA 3.42Å; I61-L78 HydrophobicContact CB-CB 4.37Å; I61-L78 HydrophobicContact CD1-CB 4.34Å; I61-L78 HydrophobicContact CD1-CD2 4.05Å; I61-L78 HydrophobicContact CD1-CG 4.39Å; I61-L78 PolarHBondContact N-O 2.84Å; I61-L78 PolarHBondContact O-N 2.99Å; I61-L80 HydrophobicContact CD1-CD1 3.51Å; I61-L80 HydrophobicContact CD1-CG 4.05Å; I61-V97 HydrophobicContact CG2-CG1 4.05Å; I61-S98 CarbonylContact C-O 3.57Å; I61-S98 WeakPolarHBondContact CA-O 3.43Å; I61-L99 HydrophobicContact CB-CD2 4.26Å; I61-L99 HydrophobicContact CG1-CD2 3.83Å; I61-L99 HydrophobicContact CG2-CD2 3.8Å
62	G	70	Confident	61.6	Low	6 Å²	6	61.5 Å²	61.5	6%	0.062	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.9	176.8	0	0	0	0	0	112.7	S98	G62-S98 PolarHBondContact N-O 2.82Å; G62-S98 PolarHBondContact O-N 2.84Å
63	F	70.8	Confident	60.1	Low	3 Å²	3	64.1 Å²	64.1	1%	0.013	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	103.8	-173	-58.9	-82	0	0	0	111.7	L46 I61 P65 P75 Y76 Q88 I90 H94 V97	L46-F63 HydrophobicContact CD2-CE1 3.82Å; L46-F63 HydrophobicContact CD2-CZ 4Å; I61-F63 HydrophobicContact CB-CE2 4.43Å; I61-F63 HydrophobicContact CB-CZ 4.36Å; I61-F63 HydrophobicContact CG2-CE1 3.94Å; I61-F63 HydrophobicContact CG2-CE2 3.71Å; I61-F63 HydrophobicContact CG2-CZ 3.29Å; F63-P65 VanDerWaalsContact O-CD 3.26Å; F63-P65 WeakPolarHBondContact O-CD 3.38Å; F63-P75 PolarHBondContact N-O 2.89Å; F63-P75 WeakPolarHBondContact O-CD 2.99Å; F63-P75 WeakPolarHBondContact O-CG 3.42Å; F63-Y76 WeakPolarHBondContact CD2-O 3.08Å; F63-Q88 VanDerWaalsContact CE2-OE1 3.27Å; F63-Q88 HydrophobicContact CZ-CG 4.38Å; F63-I90 HydrophobicContact CD1-CD1 3.93Å; F63-I90 HydrophobicContact CD1-CG1 4.04Å; F63-I90 HydrophobicContact CD1-CG2 4.04Å; F63-I90 HydrophobicContact CE1-CD1 3.44Å; F63-I90 VanDerWaalsContact CE1-CD1 3.44Å; F63-I90 HydrophobicContact CE1-CG1 3.7Å; F63-I90 HydrophobicContact CZ-CD1 4.47Å; F63-H94 HydrophobicContact CB-CB 4.44Å; F63-H94 VanDerWaalsContact CB-CD2 3.47Å; F63-H94 WeakPolarHBondContact CB-CD2 3.48Å; F63-V97 HydrophobicContact CD1-CG1 4.48Å; F63-V97 HydrophobicContact CD1-CG2 3.89Å; F63-V97 HydrophobicContact CE1-CG1 4.06Å; F63-V97 HydrophobicContact CE1-CG2 3.96Å
64	I	65.5	Low	59.1	Low	30 Å²	30	65.8 Å²	65.8	15%	0.154	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	115.4	-175.8	-47.2	-179.9	0	0	0	109.9	L73 H94 R95 I96	I64-L73 HydrophobicContact CD1-CD2 4.08Å; I64-L73 HydrophobicContact CG1-CD2 4.41Å; I64-H94 CarbonylContact O-C 3.53Å; I64-H94 WeakPolarHBondContact O-CA 3.32Å; I64-R95 PolarHBondContact O-N 3.05Å; I64-I96 HydrophobicContact CB-CB 4.09Å; I64-I96 HydrophobicContact CD1-CB 4.18Å; I64-I96 HydrophobicContact CD1-CD1 4.34Å; I64-I96 HydrophobicContact CD1-CG2 4.37Å; I64-I96 HydrophobicContact CG1-CB 4.29Å; I64-I96 PolarHBondContact N-O 3.38Å; I64-I96 PolarHBondContact O-N 2.86Å
65	P	63.6	Low	58.2	Low	27 Å²	27	65.9 Å²	65.9	18%	0.175	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	158.3	175.1	32.7	-36.5	0	0	0	112.2	F63 E67 I68 P75 K93	F63-P65 VanDerWaalsContact O-CD 3.26Å; F63-P65 WeakPolarHBondContact O-CD 3.38Å; P65-E67 PolarHBondContact O-N 3.34Å; P65-E67 VanDerWaalsContact O-N 3.12Å; P65-I68 HydrophobicContact CG-CD1 3.57Å; P65-I68 HydrophobicContact CG-CG1 3.87Å; P65-I68 PolarHBondContact O-N 2.83Å; P65-P75 HydrophobicContact CG-CG 4.1Å; P65-K93 CarbonylContact C-O 3.55Å; P65-K93 WeakPolarHBondContact CA-O 3.48Å
66	E	58.7	Low	57.4	Low	93 Å²	93	71 Å²	71	44%	0.435	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-31.3	179.7	175.5	153.8	164.8	0	0	115	K93 R95	E66-K93 PolarHBondContact N-O 3.36Å; E66-R95 HydrophobicContact CB-CG 4.06Å; E66-R95 IonicContact OE1-CZ 3.45Å; E66-R95 IonicContact OE1-NE 3.47Å; E66-R95 IonicContact OE1-NH2 3.8Å; E66-R95 PolarHBondContact OE1-NH2 2.78Å; E66-R95 IonicContact OE2-CZ 2.92Å; E66-R95 IonicContact OE2-NE 3.22Å; E66-R95 PolarHBondContact OE2-NE 2.79Å; E66-R95 IonicContact OE2-NH2 3.92Å; E66-R95 PolarHBondContact OE2-NH2 2.79Å
67	E	49.9	Very low	56.8	Low	179 Å²	179	71 Å²	71	84%	0.836	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-8.9	-168.4	-62	177.7	175.5	0	0	114.5	P65	P65-E67 PolarHBondContact O-N 3.34Å; P65-E67 VanDerWaalsContact O-N 3.12Å
68	I	49.5	Very low	56.7	Low	66 Å²	66	73.1 Å²	73.1	34%	0.338	38%	0.379	S	S	.	.			trans	-100.3	101.2	-175.6	-58.8	177.1	0	0	0	110.3	P65 Q70	P65-I68 HydrophobicContact CG-CD1 3.57Å; P65-I68 HydrophobicContact CG-CG1 3.87Å; P65-I68 PolarHBondContact O-N 2.83Å; I68-Q70 VanDerWaalsContact C-N 3.31Å; I68-Q70 HydrophobicContact CG2-CB 4.42Å; I68-Q70 WeakPolarHBondContact CG2-O 3.24Å
69	T	42.7	Very low	56.6	Low	143 Å²	143	74.6 Å²	74.6	88%	0.877	39%	0.389	S	S	*	.			trans	-82.5	-4.1	173.4	50.6	0	0	0	0	113.9
70	Q	36.1	Very low	56.4	Low	137 Å²	137	74.8 Å²	74.8	64%	0.64	39%	0.391	S	S	*	.	S	Bend	trans	-96.6	147.3	-179.2	-68.3	-174.9	-4.1	0	0	112	I68 T72	I68-Q70 VanDerWaalsContact C-N 3.31Å; I68-Q70 HydrophobicContact CG2-CB 4.42Å; I68-Q70 WeakPolarHBondContact CG2-O 3.24Å; Q70-T72 PolarHBondContact O-N 3.11Å; Q70-T72 VanDerWaalsContact O-N 3.09Å
71	P	39.1	Very low	56.5	Low	130 Å²	130	77.3 Å²	77.3	84%	0.844	41%	0.406	S	S	*	.			trans	-76.3	10.4	-177.5	32.8	-37.1	0	0	0	114.3	L73	P71-L73 VanDerWaalsContact C-N 3.29Å; P71-L73 PolarHBondContact O-N 3.44Å
72	T	38.7	Very low	56.5	Low	94 Å²	94	79.1 Å²	79.1	58%	0.577	42%	0.418	S	S	*	.			trans	-68.6	85.9	170.2	23.8	0	0	0	0	110.1	Q70 L74	Q70-T72 PolarHBondContact O-N 3.11Å; Q70-T72 VanDerWaalsContact O-N 3.09Å; T72-L74 PolarHBondContact O-N 3.44Å; T72-L74 VanDerWaalsContact O-N 3.08Å
73	L	38.5	Very low	56.4	Low	68 Å²	68	82.1 Å²	82.1	36%	0.356	44%	0.443	S	S	.	.			trans	-49.6	111.3	159.3	-75.5	156.2	0	0	0	108.6	I64 P71	I64-L73 HydrophobicContact CD1-CD2 4.08Å; I64-L73 HydrophobicContact CG1-CD2 4.41Å; P71-L73 VanDerWaalsContact C-N 3.29Å; P71-L73 PolarHBondContact O-N 3.44Å
74	L	46.2	Very low	56.3	Low	120 Å²	120	86 Å²	86	63%	0.628	46%	0.46	S	S	*	.			trans	166.9	93.3	160.8	-94.1	157.2	0	0	0	107.4	T72 E77	T72-L74 PolarHBondContact O-N 3.44Å; T72-L74 VanDerWaalsContact O-N 3.08Å; L74-E77 HydrophobicContact CD2-CG 4.08Å
75	P	51	Low	56.3	Low	36 Å²	36	88.7 Å²	88.7	23%	0.234	48%	0.477	C	S	.	.	S	Bend		-133.1	138.7	106.6	35.1	-25.9	0	0	0	112.6	F63 P65	F63-P75 PolarHBondContact N-O 2.89Å; F63-P75 WeakPolarHBondContact O-CD 2.99Å; F63-P75 WeakPolarHBondContact O-CG 3.42Å; P65-P75 HydrophobicContact CG-CG 4.1Å
76	Y	56.2	Low	56.2	Low	180 Å²	180	90.3 Å²	90.3	71%	0.706	48%	0.482	S	S	*	.			trans	54.4	77.4	-175.3	-60.6	-79.8	0	0	0	113.9	F63	F63-Y76 WeakPolarHBondContact CD2-O 3.08Å
77	E	60.1	Low	56.6	Low	93 Å²	93	89 Å²	89	44%	0.435	48%	0.481	S	S	.	.			trans	-78	120.6	157.8	-70.8	-171.2	161.3	0	0	109.8	T60 I61 L74	T60-E77 HydrophobicContact CG2-CB 4.05Å; T60-E77 HydrophobicContact CG2-CG 4.04Å; I61-E77 CarbonylContact O-C 3.58Å; I61-E77 VanDerWaalsContact O-CA 3.25Å; I61-E77 WeakPolarHBondContact O-CA 3.42Å; L74-E77 HydrophobicContact CD2-CG 4.08Å
78	L	67.2	Low	57.5	Low	50 Å²	50	82.3 Å²	82.3	26%	0.262	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	109.1	173	-178.5	63.9	0	0	0	109.1	T60 I61 L80 F86	T60-L78 WeakPolarHBondContact CA-O 3.28Å; I61-L78 HydrophobicContact CB-CB 4.37Å; I61-L78 HydrophobicContact CD1-CB 4.34Å; I61-L78 HydrophobicContact CD1-CD2 4.05Å; I61-L78 HydrophobicContact CD1-CG 4.39Å; I61-L78 PolarHBondContact N-O 2.84Å; I61-L78 PolarHBondContact O-N 2.99Å; L78-L80 HydrophobicContact CD1-CD2 4.07Å; L78-L80 HydrophobicContact CD2-CD1 4.5Å; L78-L80 HydrophobicContact CD2-CD2 3.85Å; L78-L80 HydrophobicContact CD2-CG 4.31Å; L78-L80 HydrophobicContact CG-CD2 3.65Å; L78-L80 HydrophobicContact CG-CG 4.08Å; L78-F86 HydrophobicContact CD2-CD1 3.51Å; L78-F86 HydrophobicContact CD2-CE1 3.38Å; L78-F86 HydrophobicContact CD2-CG 4.24Å; L78-F86 HydrophobicContact CD2-CZ 4.03Å
79	N	70.5	Confident	58.2	Low	95 Å²	95	84.1 Å²	84.1	51%	0.508	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	115.5	175.2	-69	-19.2	0	0	0	109.8	L59 T60	L59-N79 CarbonylContact O-C 3.59Å; L59-N79 WeakPolarHBondContact O-CA 3.33Å; T60-N79 VanDerWaalsContact CB-OD1 3.31Å; T60-N79 WeakPolarHBondContact CB-OD1 3.45Å; T60-N79 WeakPolarHBondContact CG2-OD1 3.35Å; T60-N79 PolarHBondContact OG1-OD1 3.29Å
80	L	68.5	Low	59.4	Low	6 Å²	6	77.5 Å²	77.5	3%	0.031	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.1	179.6	-59.3	-175.3	0	0	0	110.5	I48 I50 F58 L59 I61 L78 F84	I48-L80 HydrophobicContact CG2-CD1 4.17Å; I50-L80 HydrophobicContact CD1-CB 3.55Å; I50-L80 HydrophobicContact CD1-CD1 3.78Å; I50-L80 HydrophobicContact CD1-CG 4.32Å; I50-L80 HydrophobicContact CG1-CD1 4.47Å; F58-L80 CarbonylContact C-O 3.55Å; F58-L80 VanDerWaalsContact CA-O 3.27Å; F58-L80 WeakPolarHBondContact CA-O 3.31Å; L59-L80 HydrophobicContact CB-CB 4.43Å; L59-L80 PolarHBondContact N-O 2.74Å; L59-L80 PolarHBondContact O-N 2.85Å; I61-L80 HydrophobicContact CD1-CD1 3.51Å; I61-L80 HydrophobicContact CD1-CG 4.05Å; L78-L80 HydrophobicContact CD1-CD2 4.07Å; L78-L80 HydrophobicContact CD2-CD1 4.5Å; L78-L80 HydrophobicContact CD2-CD2 3.85Å; L78-L80 HydrophobicContact CD2-CG 4.31Å; L78-L80 HydrophobicContact CG-CD2 3.65Å; L78-L80 HydrophobicContact CG-CG 4.08Å; L80-F84 HydrophobicContact CD1-CD1 3.82Å; L80-F84 HydrophobicContact CD1-CE1 4.38Å; L80-F84 HydrophobicContact CD2-CD1 3.37Å; L80-F84 HydrophobicContact CD2-CE1 3.41Å; L80-F84 VanDerWaalsContact CD2-CE1 3.41Å; L80-F84 HydrophobicContact CD2-CG 4.07Å; L80-F84 HydrophobicContact CD2-CZ 4.19Å; L80-F84 HydrophobicContact CG-CD1 4.11Å
81	T	72.9	Confident	60.6	Low	68 Å²	68	72.7 Å²	72.7	42%	0.417	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	165.5	-179.9	53.1	0	0	0	0	111.4	F58	F58-T81 HydrophobicContact CB-CG2 3.9Å
82	C	71.2	Confident	61.7	Low	38 Å²	38	67.2 Å²	67.2	26%	0.257	36%	0.362	S	S	.	.	S	Bend	trans	56.6	-134.9	174.8	-44.8	0	0	0	0	113.3	F52 C55	F52-C82 WeakPolarHBondContact CB-O 3.46Å; F52-C82 PolarHBondContact N-O 3.09Å; C55-C82 VanDerWaalsContact CA-SG 3.55Å; C55-C82 HydrophobicContact CB-CB 4.25Å; C55-C82 WeakPolarHBondContact CB-SG 3.45Å; C55-C82 WeakPolarHBondContact SG-CB 3.41Å; C55-C82 CovalentContact SG-SG 2.04Å; C55-C82 PolarHBondContact SG-SG 3.36Å
83	A	68.1	Low	62.9	Low	69 Å²	69	69.1 Å²	69.1	57%	0.57	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	119	169	0	0	0	0	0	110.2	I50	I50-A83 CarbonylContact O-C 3.53Å; I50-A83 VanDerWaalsContact O-CA 3.24Å; I50-A83 WeakPolarHBondContact O-CA 3.43Å
84	F	68.8	Low	64.1	Low	85 Å²	85	67.6 Å²	67.6	37%	0.373	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	142.9	-179.7	-161.9	-104.3	0	0	0	110.7	I50 L80 F86	I50-F84 PolarHBondContact N-O 2.86Å; I50-F84 PolarHBondContact O-N 2.59Å; L80-F84 HydrophobicContact CD1-CD1 3.82Å; L80-F84 HydrophobicContact CD1-CE1 4.38Å; L80-F84 HydrophobicContact CD2-CD1 3.37Å; L80-F84 HydrophobicContact CD2-CE1 3.41Å; L80-F84 VanDerWaalsContact CD2-CE1 3.41Å; L80-F84 HydrophobicContact CD2-CG 4.07Å; L80-F84 HydrophobicContact CD2-CZ 4.19Å; L80-F84 HydrophobicContact CG-CD1 4.11Å; F84-F86 HydrophobicContact CD1-CB 3.85Å; F84-F86 HydrophobicContact CD1-CG 4.5Å; F84-F86 HydrophobicContact CE1-CB 3.59Å; F84-F86 AromaticContact CE1-CD2 3.53Å; F84-F86 HydrophobicContact CE1-CD2 3.53Å; F84-F86 HydrophobicContact CE1-CE2 4.43Å; F84-F86 AromaticContact CE1-CG 3.77Å; F84-F86 HydrophobicContact CE1-CG 3.77Å; F84-F86 HydrophobicContact CZ-CD2 4.05Å
85	T	64.4	Low	65	Low	85 Å²	85	66.6 Å²	66.6	52%	0.521	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	117.2	173.3	-66.1	0	0	0	0	109.3	I48	I48-T85 CarbonylContact O-C 3.54Å; I48-T85 WeakPolarHBondContact O-CA 3.48Å
86	F	63	Low	65.6	Low	61 Å²	61	66.9 Å²	66.9	27%	0.268	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	119.7	-174.3	-157.7	-123.4	0	0	0	112	R47 I48 L78 F84 Q88	R47-F86 CarbonylContact C-O 3.56Å; R47-F86 WeakPolarHBondContact CA-O 3.46Å; I48-F86 PolarHBondContact N-O 2.79Å; I48-F86 PolarHBondContact O-N 2.74Å; L78-F86 HydrophobicContact CD2-CD1 3.51Å; L78-F86 HydrophobicContact CD2-CE1 3.38Å; L78-F86 HydrophobicContact CD2-CG 4.24Å; L78-F86 HydrophobicContact CD2-CZ 4.03Å; F84-F86 HydrophobicContact CD1-CB 3.85Å; F84-F86 HydrophobicContact CD1-CG 4.5Å; F84-F86 HydrophobicContact CE1-CB 3.59Å; F84-F86 AromaticContact CE1-CD2 3.53Å; F84-F86 HydrophobicContact CE1-CD2 3.53Å; F84-F86 HydrophobicContact CE1-CE2 4.43Å; F84-F86 AromaticContact CE1-CG 3.77Å; F84-F86 HydrophobicContact CE1-CG 3.77Å; F84-F86 HydrophobicContact CZ-CD2 4.05Å; F86-Q88 HydrophobicContact CD1-CB 3.8Å; F86-Q88 HydrophobicContact CE1-CB 3.59Å; F86-Q88 HydrophobicContact CE1-CG 3.86Å
87	P	66.9	Low	66.2	Low	65 Å²	65	58.3 Å²	58.3	42%	0.422	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	103.9	159.3	32.7	-25.4	0	0	0	109.6	L46	L46-P87 CarbonylContact O-C 3.38Å; L46-P87 WeakPolarHBondContact O-CA 3.4Å
88	Q	68.8	Low	66.5	Low	39 Å²	39	54 Å²	54	18%	0.182	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	132.7	167.3	-161.1	160.4	-9.7	0	0	110.2	R45 L46 F63 F86 I90	R45-Q88 WeakPolarHBondContact CA-O 3.13Å; L46-Q88 PolarHBondContact N-O 3.47Å; L46-Q88 PolarHBondContact O-N 2.87Å; F63-Q88 VanDerWaalsContact CE2-OE1 3.27Å; F63-Q88 HydrophobicContact CZ-CG 4.38Å; F86-Q88 HydrophobicContact CD1-CB 3.8Å; F86-Q88 HydrophobicContact CE1-CB 3.59Å; F86-Q88 HydrophobicContact CE1-CG 3.86Å; Q88-I90 HydrophobicContact CG-CG1 4.32Å
89	I	63.7	Low	66.7	Low	105 Å²	105	52.3 Å²	52.3	54%	0.538	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.2	165.4	-61.9	175.3	0	0	0	107.1	F43 R45	F43-I89 HydrophobicContact CB-CG2 4.21Å; F43-I89 HydrophobicContact CD2-CG2 3.78Å; F43-I89 HydrophobicContact CG-CG2 4.26Å; R45-I89 HydrophobicContact CG-CG1 4.45Å
90	I	68	Low	66.5	Low	3 Å²	3	48.8 Å²	48.8	2%	0.015	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.9	-174.7	-51.2	161.5	0	0	0	106.9	H44 L46 F63 Q88 H94 V97 M119	H44-I90 HydrophobicContact CB-CB 4.4Å; H44-I90 PolarHBondContact N-O 3.42Å; H44-I90 PolarHBondContact O-N 3.05Å; L46-I90 HydrophobicContact CB-CD1 3.51Å; L46-I90 HydrophobicContact CB-CG1 4.39Å; L46-I90 HydrophobicContact CD2-CD1 3.93Å; L46-I90 HydrophobicContact CG-CD1 4.38Å; F63-I90 HydrophobicContact CD1-CD1 3.93Å; F63-I90 HydrophobicContact CD1-CG1 4.04Å; F63-I90 HydrophobicContact CD1-CG2 4.04Å; F63-I90 HydrophobicContact CE1-CD1 3.44Å; F63-I90 VanDerWaalsContact CE1-CD1 3.44Å; F63-I90 HydrophobicContact CE1-CG1 3.7Å; F63-I90 HydrophobicContact CZ-CD1 4.47Å; Q88-I90 HydrophobicContact CG-CG1 4.32Å; I90-H94 HydrophobicContact CG2-CB 3.65Å; I90-H94 VanDerWaalsContact CG2-ND1 3.35Å; I90-H94 WeakPolarHBondContact CG2-ND1 3.19Å; I90-V97 HydrophobicContact CD1-CG2 3.9Å; I90-M119 HydrophobicContact CD1-CE 4.13Å
91	D	61.8	Low	66.6	Low	36 Å²	36	49 Å²	49	19%	0.193	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	137.4	170.4	-175.3	-19.4	0	0	0	109.7	Y41 K93 H94	Y41-D91 VanDerWaalsContact OH-CA 3.31Å; Y41-D91 WeakPolarHBondContact OH-CA 3.32Å; Y41-D91 WeakPolarHBondContact OH-CB 3.37Å; Y41-D91 PolarHBondContact OH-OD1 3.08Å; Y41-D91 VanDerWaalsContact OH-OD1 3.09Å; D91-K93 HydrophobicContact CB-CB 4.46Å; D91-K93 PolarHBondContact O-N 3.46Å; D91-K93 PolarHBondContact OD1-N 3.44Å; D91-K93 VanDerWaalsContact OD1-N 3.07Å; D91-K93 VanDerWaalsContact OD2-CD 3.28Å; D91-K93 WeakPolarHBondContact OD2-CD 3.4Å; D91-K93 VanDerWaalsContact OD2-CE 3.28Å; D91-K93 WeakPolarHBondContact OD2-CE 3.43Å; D91-K93 IonicContact OD2-NZ 2.93Å; D91-K93 PolarHBondContact OD2-NZ 2.92Å; D91-H94 PolarHBondContact O-N 3.17Å; D91-H94 PolarHBondContact O-ND1 3.01Å
92	S	62.2	Low	66.4	Low	15 Å²	15	47.3 Å²	47.3	11%	0.105	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.2	-20.7	169.8	59.5	0	0	0	0	115.9	W42 H94	W42-S92 WeakPolarHBondContact O-CB 3.44Å; S92-H94 PolarHBondContact O-N 3.5Å
93	K	62.3	Low	66.1	Low	135 Å²	135	45.7 Å²	45.7	59%	0.587	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-25.4	169.4	-68.9	177.1	-170.7	129.9	0	114.4	P65 E66 D91	P65-K93 CarbonylContact C-O 3.55Å; P65-K93 WeakPolarHBondContact CA-O 3.48Å; E66-K93 PolarHBondContact N-O 3.36Å; D91-K93 HydrophobicContact CB-CB 4.46Å; D91-K93 PolarHBondContact O-N 3.46Å; D91-K93 PolarHBondContact OD1-N 3.44Å; D91-K93 VanDerWaalsContact OD1-N 3.07Å; D91-K93 VanDerWaalsContact OD2-CD 3.28Å; D91-K93 WeakPolarHBondContact OD2-CD 3.4Å; D91-K93 VanDerWaalsContact OD2-CE 3.28Å; D91-K93 WeakPolarHBondContact OD2-CE 3.43Å; D91-K93 IonicContact OD2-NZ 2.93Å; D91-K93 PolarHBondContact OD2-NZ 2.92Å
94	H	63.6	Low	66.1	Low	36 Å²	36	47.2 Å²	47.2	17%	0.167	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	114.8	178.5	-52	88.9	0	0	0	110.4	F63 I64 I90 D91 S92	F63-H94 HydrophobicContact CB-CB 4.44Å; F63-H94 VanDerWaalsContact CB-CD2 3.47Å; F63-H94 WeakPolarHBondContact CB-CD2 3.48Å; I64-H94 CarbonylContact O-C 3.53Å; I64-H94 WeakPolarHBondContact O-CA 3.32Å; I90-H94 HydrophobicContact CG2-CB 3.65Å; I90-H94 VanDerWaalsContact CG2-ND1 3.35Å; I90-H94 WeakPolarHBondContact CG2-ND1 3.19Å; D91-H94 PolarHBondContact O-N 3.17Å; D91-H94 PolarHBondContact O-ND1 3.01Å; S92-H94 PolarHBondContact O-N 3.5Å
95	R	65.2	Low	65.5	Low	98 Å²	98	46.8 Å²	46.8	37%	0.37	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-20.7	-178.9	-75.6	-169.9	171.7	-169	-1.8	113.9	K22 V23 I64 E66	K22-R95 CarbonylContact C-O 3.57Å; K22-R95 WeakPolarHBondContact CA-O 3.21Å; V23-R95 PolarHBondContact N-O 2.82Å; I64-R95 PolarHBondContact O-N 3.05Å; E66-R95 HydrophobicContact CB-CG 4.06Å; E66-R95 IonicContact OE1-CZ 3.45Å; E66-R95 IonicContact OE1-NE 3.47Å; E66-R95 IonicContact OE1-NH2 3.8Å; E66-R95 PolarHBondContact OE1-NH2 2.78Å; E66-R95 IonicContact OE2-CZ 2.92Å; E66-R95 IonicContact OE2-NE 3.22Å; E66-R95 PolarHBondContact OE2-NE 2.79Å; E66-R95 IonicContact OE2-NH2 3.92Å; E66-R95 PolarHBondContact OE2-NH2 2.79Å
96	I	65	Low	65	Low	43 Å²	43	44.1 Å²	44.1	22%	0.221	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	130.3	-178.1	-47.8	176.3	0	0	0	109.7	K20 V21 I64	K20-I96 HydrophobicContact CB-CG2 3.93Å; K20-I96 HydrophobicContact CG-CG2 4.33Å; V21-I96 WeakPolarHBondContact O-CA 3.26Å; I64-I96 HydrophobicContact CB-CB 4.09Å; I64-I96 HydrophobicContact CD1-CB 4.18Å; I64-I96 HydrophobicContact CD1-CD1 4.34Å; I64-I96 HydrophobicContact CD1-CG2 4.37Å; I64-I96 HydrophobicContact CG1-CB 4.29Å; I64-I96 PolarHBondContact N-O 3.38Å; I64-I96 PolarHBondContact O-N 2.86Å
97	V	68.4	Low	64.2	Low	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	115.9	165	178.2	0	0	0	0	107.7	K20 V21 V23 L46 I61 F63 I90 L99 M119	K20-V97 WeakPolarHBondContact CA-O 3.38Å; V21-V97 HydrophobicContact CB-CB 4.44Å; V21-V97 PolarHBondContact N-O 2.82Å; V21-V97 PolarHBondContact O-N 3.25Å; V23-V97 HydrophobicContact CG2-CG2 3.75Å; L46-V97 HydrophobicContact CD2-CG1 3.82Å; I61-V97 HydrophobicContact CG2-CG1 4.05Å; F63-V97 HydrophobicContact CD1-CG1 4.48Å; F63-V97 HydrophobicContact CD1-CG2 3.89Å; F63-V97 HydrophobicContact CE1-CG1 4.06Å; F63-V97 HydrophobicContact CE1-CG2 3.96Å; I90-V97 HydrophobicContact CD1-CG2 3.9Å; V97-L99 HydrophobicContact CG1-CD2 4.03Å; V97-L99 HydrophobicContact CG1-CG 4.16Å; V97-M119 HydrophobicContact CG2-CE 3.91Å
98	S	66.1	Low	63.4	Low	2 Å²	2	42.5 Å²	42.5	1%	0.014	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.2	171.8	-163.1	0	0	0	0	109.1	C19 I61 G62	C19-S98 CarbonylContact O-C 3.57Å; C19-S98 WeakPolarHBondContact O-CA 3.07Å; I61-S98 CarbonylContact C-O 3.57Å; I61-S98 WeakPolarHBondContact CA-O 3.43Å; G62-S98 PolarHBondContact N-O 2.82Å; G62-S98 PolarHBondContact O-N 2.84Å
99	L	70.7	Confident	62.2	Low	14 Å²	14	49.1 Å²	49.1	7%	0.073	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	109	178.2	-61.8	170.1	0	0	0	106.8	A18 C19 V21 I48 L59 I61 V97 V117	A18-L99 CarbonylContact C-O 3.55Å; A18-L99 WeakPolarHBondContact CA-O 3.26Å; C19-L99 HydrophobicContact CB-CB 4.29Å; C19-L99 PolarHBondContact N-O 2.77Å; C19-L99 PolarHBondContact O-N 3.47Å; V21-L99 HydrophobicContact CG2-CD1 4.39Å; I48-L99 HydrophobicContact CD1-CD2 3.76Å; L59-L99 HydrophobicContact CD1-CB 4.38Å; I61-L99 HydrophobicContact CB-CD2 4.26Å; I61-L99 HydrophobicContact CG1-CD2 3.83Å; I61-L99 HydrophobicContact CG2-CD2 3.8Å; V97-L99 HydrophobicContact CG1-CD2 4.03Å; V97-L99 HydrophobicContact CG1-CG 4.16Å; L99-V117 HydrophobicContact CD1-CG1 4Å; L99-V117 HydrophobicContact CD1-CG2 4.32Å
100	V	66	Low	61.4	Low	22 Å²	22	50.5 Å²	50.5	13%	0.133	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	106.4	-177.9	-166.4	0	0	0	0	109.3	L16 Y17 A18 L59 T60 H102	L16-V100 HydrophobicContact CD1-CG1 4.36Å; L16-V100 HydrophobicContact CD2-CG1 3.51Å; L16-V100 HydrophobicContact CG-CG1 3.75Å; Y17-V100 CarbonylContact O-C 3.56Å; Y17-V100 VanDerWaalsContact O-CA 3.22Å; Y17-V100 WeakPolarHBondContact O-CA 3.33Å; A18-V100 HydrophobicContact CB-CG2 4.31Å; L59-V100 CarbonylContact C-O 3.58Å; L59-V100 WeakPolarHBondContact CA-O 3.45Å; T60-V100 PolarHBondContact N-O 3.15Å; T60-V100 PolarHBondContact O-N 2.04Å; V100-H102 WeakPolarHBondContact CG1-NE2 3.37Å
101	W	70.7	Confident	60.6	Low	9 Å²	9	52 Å²	52	3%	0.034	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124.8	177.5	177.6	20.1	0	0	0	110	F3 L16 Y17 F52 L59 T103 V111 L115	F3-W101 HydrophobicContact CB-CZ3 4.48Å; F3-W101 HydrophobicContact CG-CZ3 4.4Å; L16-W101 WeakPolarHBondContact CA-O 3.33Å; Y17-W101 HydrophobicContact CD2-CB 4.29Å; Y17-W101 HydrophobicContact CD2-CD2 4.09Å; Y17-W101 AromaticContact CD2-CE3 3.83Å; Y17-W101 HydrophobicContact CD2-CE3 3.83Å; Y17-W101 HydrophobicContact CD2-CG 4.32Å; Y17-W101 HydrophobicContact CE2-CD2 4.5Å; Y17-W101 HydrophobicContact CE2-CE3 4.18Å; Y17-W101 HydrophobicContact CE2-CZ3 4.48Å; Y17-W101 PolarHBondContact N-O 3.43Å; Y17-W101 PolarHBondContact O-N 3.28Å; F52-W101 HydrophobicContact CD1-CZ2 4.16Å; F52-W101 AromaticContact CD1-NE1 3.98Å; F52-W101 AromaticContact CE1-CD1 3.79Å; F52-W101 HydrophobicContact CE1-CD2 4.15Å; F52-W101 AromaticContact CE1-CE2 3.48Å; F52-W101 VanDerWaalsContact CE1-CE2 3.48Å; F52-W101 HydrophobicContact CE1-CG 4.34Å; F52-W101 AromaticContact CE1-CZ2 3.83Å; F52-W101 HydrophobicContact CE1-CZ2 3.83Å; F52-W101 AromaticContact CE1-NE1 3.26Å; F52-W101 VanDerWaalsContact CE1-NE1 3.26Å; F52-W101 AromaticContact CZ-CD1 3.51Å; F52-W101 HydrophobicContact CZ-CG 4.22Å; F52-W101 AromaticContact CZ-NE1 3.43Å; L59-W101 HydrophobicContact CD1-CB 3.82Å; W101-T103 HydrophobicContact CD2-CG2 4.43Å; W101-T103 HydrophobicContact CZ2-CG2 3.83Å; W101-V111 HydrophobicContact CH2-CG1 3.58Å; W101-V111 HydrophobicContact CZ2-CG1 3.79Å; W101-L115 HydrophobicContact CE3-CD2 4.35Å
102	H	69.2	Low	60.4	Low	34 Å²	34	58.8 Å²	58.8	16%	0.157	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.1	173	-63.2	-103.9	0	0	0	110.2	L15 L16 D57 F58 V100	L15-H102 WeakPolarHBondContact O-CA 3.42Å; L16-H102 WeakPolarHBondContact CD1-CE1 3.39Å; D57-H102 WeakPolarHBondContact CA-O 3.47Å; F58-H102 HydrophobicContact CD1-CB 3.84Å; F58-H102 HydrophobicContact CD2-CB 4.18Å; F58-H102 AromaticContact CD2-CD2 3.76Å; F58-H102 HydrophobicContact CE1-CB 3.48Å; F58-H102 VanDerWaalsContact CE1-CB 3.48Å; F58-H102 AromaticContact CE1-CG 3.88Å; F58-H102 HydrophobicContact CE2-CB 3.86Å; F58-H102 AromaticContact CE2-CD2 3.13Å; F58-H102 WeakPolarHBondContact CE2-CD2 3.25Å; F58-H102 AromaticContact CE2-CG 3.5Å; F58-H102 AromaticContact CE2-NE2 3.68Å; F58-H102 HydrophobicContact CG-CB 4.18Å; F58-H102 HydrophobicContact CZ-CB 3.5Å; F58-H102 VanDerWaalsContact CZ-CB 3.5Å; F58-H102 AromaticContact CZ-CD2 3.48Å; F58-H102 VanDerWaalsContact CZ-CD2 3.48Å; F58-H102 WeakPolarHBondContact CZ-CD2 3.29Å; F58-H102 AromaticContact CZ-CG 3.32Å; F58-H102 AromaticContact CZ-ND1 3.76Å; F58-H102 AromaticContact CZ-NE2 3.99Å; F58-H102 PolarHBondContact N-O 3.04Å; F58-H102 PolarHBondContact O-N 2.67Å; V100-H102 WeakPolarHBondContact CG1-NE2 3.37Å
103	T	66.4	Low	60.3	Low	3 Å²	3	58.8 Å²	58.8	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.2	170.9	58.3	0	0	0	0	111.3	L15 D57 W101	L15-T103 WeakPolarHBondContact CB-OG1 2.98Å; L15-T103 PolarHBondContact O-N 3.48Å; L15-T103 VanDerWaalsContact O-N 3.09Å; D57-T103 VanDerWaalsContact OD1-CA 3.28Å; D57-T103 WeakPolarHBondContact OD1-CA 3.26Å; W101-T103 HydrophobicContact CD2-CG2 4.43Å; W101-T103 HydrophobicContact CZ2-CG2 3.83Å
104	E	66.3	Low	60.3	Low	102 Å²	102	59.6 Å²	59.6	48%	0.477	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-37.4	175.8	176.4	-176.8	-141.5	0	0	111.7	S54 N56 D57 G106	S54-E104 PolarHBondContact OG-OE2 3.41Å; N56-E104 HydrophobicContact CB-CB 4Å; N56-E104 HydrophobicContact CB-CG 4.25Å; N56-E104 VanDerWaalsContact CB-OE2 3.22Å; N56-E104 WeakPolarHBondContact CB-OE2 3.26Å; N56-E104 PolarHBondContact ND2-OE1 3.11Å; N56-E104 PolarHBondContact ND2-OE2 2.83Å; D57-E104 PolarHBondContact OD1-N 3.5Å; E104-G106 PolarHBondContact O-N 3.32Å
105	S	57.8	Low	60.3	Low	75 Å²	75	58.2 Å²	58.2	52%	0.524	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-14.4	-173.3	61.9	0	0	0	0	114.4	S107	S105-S107 PolarHBondContact O-N 2.93Å; S105-S107 PolarHBondContact OG-N 2.72Å; S105-S107 PolarHBondContact OG-O 2.86Å
106	G	53.4	Low	60.1	Low	30 Å²	30	57 Å²	57	31%	0.309	30%	0.296	S	S	.	.			trans	57.2	12.9	-173.1	0	0	0	0	0	114.2	L15 E104	L15-G106 WeakPolarHBondContact CD1-O 3.44Å; E104-G106 PolarHBondContact O-N 3.32Å
107	S	46.4	Very low	60	Low	35 Å²	35	55.7 Å²	55.7	25%	0.245	29%	0.29	C	S	.	.			trans	-123.8	139.5	-171.4	178	0	0	0	0	110.5	S105 E109 V111	S105-S107 PolarHBondContact O-N 2.93Å; S105-S107 PolarHBondContact OG-N 2.72Å; S105-S107 PolarHBondContact OG-O 2.86Å; S107-E109 PolarHBondContact OG-N 3.5Å; S107-V111 WeakPolarHBondContact O-CG2 3.3Å
108	I	49	Very low	59.7	Low	56 Å²	56	59.6 Å²	59.6	29%	0.287	31%	0.308	S	S	.	.	S	Bend	trans	-82.6	-32.4	174	-80.1	163.1	0	0	0	111.4	T5 L15 Y17 V111	T5-I108 HydrophobicContact CG2-CG1 4.08Å; T5-I108 HydrophobicContact CG2-CG2 4.1Å; T5-I108 WeakPolarHBondContact OG1-CG2 3.17Å; L15-I108 HydrophobicContact CD2-CD1 4.29Å; L15-I108 HydrophobicContact CD2-CG1 4.28Å; Y17-I108 WeakPolarHBondContact OH-CG1 3.38Å; I108-V111 WeakPolarHBondContact O-CG2 3.27Å; I108-V111 PolarHBondContact O-N 2.91Å
109	E	45.2	Very low	59.6	Low	179 Å²	179	60.6 Å²	60.6	84%	0.836	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-23.8	-156.7	-59.1	-174.6	161.2	0	0	113.1	S107	S107-E109 PolarHBondContact OG-N 3.5Å
110	D	45.7	Very low	59.3	Low	133 Å²	133	60.2 Å²	60.2	71%	0.711	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	3	177.4	-78.2	-52.4	0	0	0	114.2	K112	D110-K112 PolarHBondContact O-N 3.42Å
111	V	51.9	Low	59.2	Low	36 Å²	36	59.2 Å²	59.2	22%	0.218	31%	0.306	C	S	.	.			trans	-78.7	82.4	-167.6	-173.4	0	0	0	0	111.6	W101 S107 I108 S113	W101-V111 HydrophobicContact CH2-CG1 3.58Å; W101-V111 HydrophobicContact CZ2-CG1 3.79Å; S107-V111 WeakPolarHBondContact O-CG2 3.3Å; I108-V111 WeakPolarHBondContact O-CG2 3.27Å; I108-V111 PolarHBondContact O-N 2.91Å; V111-S113 PolarHBondContact O-N 2.84Å
112	K	57.3	Low	58.8	Low	178 Å²	178	60.7 Å²	60.7	77%	0.774	31%	0.311	S	S	*	.			trans	-70.6	-2.8	166.8	-59.4	175	-177.6	168.4	0	113	T53 D110 K114	T53-K112 HydrophobicContact CG2-CB 3.64Å; D110-K112 PolarHBondContact O-N 3.42Å; K112-K114 PolarHBondContact O-N 2.88Å
113	S	59.6	Low	58.6	Low	14 Å²	14	60.1 Å²	60.1	10%	0.098	31%	0.309	C	S	.	.			trans	-57.5	127.6	177.7	-68.2	0	0	0	0	111.9	N51 F52 T53 V111	N51-S113 CarbonylContact O-C 3.52Å; N51-S113 VanDerWaalsContact O-CA 3.32Å; N51-S113 WeakPolarHBondContact O-CA 3.46Å; F52-S113 WeakPolarHBondContact CA-OG 3.41Å; T53-S113 PolarHBondContact N-OG 2.86Å; T53-S113 PolarHBondContact OG1-OG 2.81Å; T53-S113 VanDerWaalsContact OG1-OG 3.04Å; V111-S113 PolarHBondContact O-N 2.84Å
114	K	62	Low	58.6	Low	152 Å²	152	66.6 Å²	66.6	66%	0.661	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	116.7	174.9	-63.5	-179	-177.4	178.7	0	109.5	I50 N51 K112	I50-K114 CarbonylContact C-O 3.5Å; N51-K114 HydrophobicContact CB-CB 4.39Å; N51-K114 PolarHBondContact N-O 2.66Å; N51-K114 PolarHBondContact O-N 2.91Å; K112-K114 PolarHBondContact O-N 2.88Å
115	L	63.2	Low	58.7	Low	8 Å²	8	63.2 Å²	63.2	4%	0.042	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135.9	166	176.2	59.2	0	0	0	107.8	F3 I48 I50 L59 W101 V117	F3-L115 HydrophobicContact CD2-CB 3.92Å; F3-L115 HydrophobicContact CD2-CG 4.36Å; F3-L115 HydrophobicContact CE1-CD2 3.98Å; F3-L115 HydrophobicContact CE2-CB 3.48Å; F3-L115 VanDerWaalsContact CE2-CB 3.48Å; F3-L115 HydrophobicContact CE2-CD2 3.76Å; F3-L115 HydrophobicContact CE2-CG 3.48Å; F3-L115 VanDerWaalsContact CE2-CG 3.48Å; F3-L115 VanDerWaalsContact CE2-O 3.26Å; F3-L115 WeakPolarHBondContact CE2-O 3.15Å; F3-L115 HydrophobicContact CZ-CB 4.1Å; F3-L115 HydrophobicContact CZ-CD2 3.44Å; F3-L115 VanDerWaalsContact CZ-CD2 3.44Å; F3-L115 HydrophobicContact CZ-CG 3.62Å; I48-L115 HydrophobicContact CG2-CD1 3.91Å; I50-L115 HydrophobicContact CD1-CD1 4.19Å; I50-L115 HydrophobicContact CG1-CD1 3.8Å; L59-L115 HydrophobicContact CD1-CD2 4.13Å; L59-L115 HydrophobicContact CD2-CD1 4Å; L59-L115 HydrophobicContact CD2-CD2 4.49Å; W101-L115 HydrophobicContact CE3-CD2 4.35Å; L115-V117 HydrophobicContact CD1-CG2 4.01Å; L115-V117 HydrophobicContact CD2-CG2 4.46Å; L115-V117 HydrophobicContact CG-CG2 4.02Å
116	D	61.5	Low	59	Low	73 Å²	73	63.3 Å²	63.3	39%	0.39	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	125.4	171.7	-170.9	28	0	0	0	109.3	M1 I48 S49	M1-D116 PolarHBondContact N-OD1 3.49Å; I48-D116 WeakPolarHBondContact CA-O 3.45Å; S49-D116 PolarHBondContact N-O 2.83Å; S49-D116 PolarHBondContact O-N 2.97Å
117	V	62.6	Low	59.6	Low	14 Å²	14	64.1 Å²	64.1	9%	0.085	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	118.9	-176.6	-174.3	0	0	0	0	107.8	M1 F3 L46 I48 L99 L115	M1-V117 HydrophobicContact CE-CB 3.96Å; M1-V117 VanDerWaalsContact CE-O 3.3Å; M1-V117 WeakPolarHBondContact CE-O 3.36Å; M1-V117 HydrophobicContact SD-CB 3.83Å; M1-V117 HydrophobicContact SD-CG2 4.27Å; F3-V117 HydrophobicContact CZ-CG2 4.38Å; L46-V117 HydrophobicContact CD1-CG1 3.62Å; I48-V117 HydrophobicContact CG1-CG1 4.05Å; I48-V117 HydrophobicContact CG1-CG2 4.23Å; L99-V117 HydrophobicContact CD1-CG1 4Å; L99-V117 HydrophobicContact CD1-CG2 4.32Å; L115-V117 HydrophobicContact CD1-CG2 4.01Å; L115-V117 HydrophobicContact CD2-CG2 4.46Å; L115-V117 HydrophobicContact CG-CG2 4.02Å
118	Q	63.6	Low	60.7	Low	83 Å²	83	68.3 Å²	68.3	39%	0.388	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	114.7	177.8	175.2	-179.2	32.4	0	0	108.6	R47	R47-Q118 HydrophobicContact CB-CB 4.24Å; R47-Q118 PolarHBondContact N-O 3.01Å; R47-Q118 PolarHBondContact O-N 3.11Å
119	M	64	Low	61.6	Low	22 Å²	22	66.1 Å²	66.1	11%	0.108	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	139.7	168.5	-170.7	60.7	81.8	0	0	109.7	V23 H44 L46 I90 V97 Y155	V23-M119 HydrophobicContact CG2-CE 3.96Å; H44-M119 HydrophobicContact CB-SD 3.92Å; L46-M119 HydrophobicContact CB-CE 4.04Å; L46-M119 HydrophobicContact CB-SD 4.17Å; L46-M119 HydrophobicContact CD1-CE 3.9Å; L46-M119 HydrophobicContact CG-CE 4.43Å; I90-M119 HydrophobicContact CD1-CE 4.13Å; V97-M119 HydrophobicContact CG2-CE 3.91Å; M119-Y155 HydrophobicContact CB-CD2 4.23Å; M119-Y155 HydrophobicContact CG-CD2 3.81Å; M119-Y155 HydrophobicContact CG-CE2 4.05Å; M119-Y155 HydrophobicContact CG-CG 4.49Å
120	S	63.2	Low	62.8	Low	6 Å²	6	59.9 Å²	59.9	4%	0.042	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	134.5	176.8	41.8	0	0	0	0	109.9	H44 R45 Y122	H44-S120 CarbonylContact C-O 3.56Å; H44-S120 WeakPolarHBondContact CA-O 2.98Å; R45-S120 PolarHBondContact N-O 2.93Å; R45-S120 PolarHBondContact O-N 3.36Å; R45-S120 PolarHBondContact O-OG 2.98Å; S120-Y122 WeakPolarHBondContact OG-CE2 3.05Å
121	A	63.4	Low	63.7	Low	2 Å²	2	57.8 Å²	57.8	2%	0.017	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	141.1	175.5	0	0	0	0	0	110.3	W42 C153 Y155	W42-A121 HydrophobicContact CE3-CB 4.37Å; W42-A121 HydrophobicContact CZ3-CB 4.4Å; A121-C153 HydrophobicContact CB-CB 3.88Å; A121-C153 PolarHBondContact N-O 3.33Å; A121-C153 PolarHBondContact O-N 2.82Å; A121-Y155 HydrophobicContact CB-CD2 4.46Å; A121-Y155 HydrophobicContact CB-CE2 3.68Å
122	Y	62.2	Low	64.5	Low	39 Å²	39	62.3 Å²	62.3	15%	0.153	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.5	-178.9	-70.1	-100.7	0	0	0	109.4	W42 F43 R45 S120 V152	W42-Y122 WeakPolarHBondContact CA-O 3.38Å; F43-Y122 HydrophobicContact CD2-CD2 4.02Å; F43-Y122 HydrophobicContact CD2-CG 4.12Å; F43-Y122 HydrophobicContact CE1-CG 4.36Å; F43-Y122 VanDerWaalsContact CE2-CB 3.44Å; F43-Y122 HydrophobicContact CE2-CD1 4.11Å; F43-Y122 AromaticContact CE2-CD2 3.61Å; F43-Y122 HydrophobicContact CE2-CD2 3.61Å; F43-Y122 HydrophobicContact CE2-CE2 4.39Å; F43-Y122 AromaticContact CE2-CG 3.46Å; F43-Y122 HydrophobicContact CE2-CG 3.46Å; F43-Y122 VanDerWaalsContact CE2-CG 3.46Å; F43-Y122 AromaticContact CZ-CD1 3.99Å; F43-Y122 HydrophobicContact CZ-CD1 3.99Å; F43-Y122 HydrophobicContact CZ-CD2 4.25Å; F43-Y122 AromaticContact CZ-CG 3.61Å; F43-Y122 HydrophobicContact CZ-CG 3.61Å; F43-Y122 PolarHBondContact N-O 2.81Å; F43-Y122 PolarHBondContact O-N 2.88Å; R45-Y122 HydrophobicContact CB-CD2 4.08Å; R45-Y122 HydrophobicContact CB-CE2 3.56Å; R45-Y122 HydrophobicContact CG-CE2 4.48Å; S120-Y122 WeakPolarHBondContact OG-CE2 3.05Å; Y122-V152 HydrophobicContact CD1-CG2 3.85Å; Y122-V152 HydrophobicContact CE1-CB 4.24Å; Y122-V152 HydrophobicContact CE1-CG1 4.04Å; Y122-V152 HydrophobicContact CE1-CG2 3.36Å; Y122-V152 HydrophobicContact CE2-CG1 4.18Å
123	M	67	Low	65	Low	23 Å²	23	56 Å²	56	11%	0.113	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.8	178	-172	178.7	-174.2	0	0	109.6	T39 W42 F125 C138 A151	T39-M123 HydrophobicContact CG2-CE 3.57Å; W42-M123 HydrophobicContact CD2-CB 4.32Å; W42-M123 HydrophobicContact CD2-CG 4.33Å; W42-M123 HydrophobicContact CE3-CB 4.14Å; W42-M123 HydrophobicContact CH2-CB 4.08Å; W42-M123 HydrophobicContact CH2-CG 4.21Å; W42-M123 HydrophobicContact CH2-SD 3.82Å; W42-M123 HydrophobicContact CZ2-CB 4.27Å; W42-M123 HydrophobicContact CZ2-CE 4.01Å; W42-M123 HydrophobicContact CZ2-CG 3.92Å; W42-M123 HydrophobicContact CZ2-SD 3.51Å; W42-M123 VanDerWaalsContact CZ2-SD 3.51Å; W42-M123 HydrophobicContact CZ3-CB 4.03Å; M123-F125 HydrophobicContact CB-CE2 3.84Å; M123-F125 HydrophobicContact CB-CZ 4.38Å; M123-F125 HydrophobicContact CE-CE1 4.36Å; M123-F125 HydrophobicContact CE-CZ 4.15Å; M123-F125 HydrophobicContact CG-CD2 4.45Å; M123-F125 HydrophobicContact CG-CE2 3.75Å; M123-F125 HydrophobicContact CG-CZ 3.92Å; M123-F125 VanDerWaalsContact O-CD2 3.28Å; M123-F125 WeakPolarHBondContact O-CD2 3.37Å; M123-F125 HydrophobicContact SD-CE1 4.26Å; M123-F125 HydrophobicContact SD-CE2 3.91Å; M123-F125 HydrophobicContact SD-CZ 3.48Å; M123-F125 WeakPolarHBondContact SD-CZ 3.38Å; M123-C138 HydrophobicContact SD-CB 4.41Å; M123-A151 PolarHBondContact N-O 3.1Å
124	R	65.1	Low	65.3	Low	138 Å²	138	58.6 Å²	58.6	52%	0.521	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.7	179.2	-175.8	170.6	162.3	156.8	-8.2	110.6	S40 Y41 E126	S40-R124 PolarHBondContact N-O 2.67Å; S40-R124 VanDerWaalsContact N-O 3.09Å; S40-R124 WeakPolarHBondContact OG-CG 3.43Å; Y41-R124 PolarHBondContact O-N 3.3Å; R124-E126 HydrophobicContact CG-CG 4.43Å; R124-E126 IonicContact CZ-OE1 3.12Å; R124-E126 IonicContact NE-OE1 2.69Å; R124-E126 PolarHBondContact NE-OE1 3.03Å; R124-E126 IonicContact NH2-OE1 2.82Å; R124-E126 PolarHBondContact NH2-OE1 3.09Å
125	F	68.2	Low	65.4	Low	31 Å²	31	53.3 Å²	53.3	14%	0.136	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.1	177.9	-68.4	-92.4	0	0	0	109.5	T39 M123 F129 K134 R137 C138 A151	T39-F125 HydrophobicContact CG2-CD1 3.7Å; T39-F125 HydrophobicContact CG2-CE1 3.67Å; M123-F125 HydrophobicContact CB-CE2 3.84Å; M123-F125 HydrophobicContact CB-CZ 4.38Å; M123-F125 HydrophobicContact CE-CE1 4.36Å; M123-F125 HydrophobicContact CE-CZ 4.15Å; M123-F125 HydrophobicContact CG-CD2 4.45Å; M123-F125 HydrophobicContact CG-CE2 3.75Å; M123-F125 HydrophobicContact CG-CZ 3.92Å; M123-F125 VanDerWaalsContact O-CD2 3.28Å; M123-F125 WeakPolarHBondContact O-CD2 3.37Å; M123-F125 HydrophobicContact SD-CE1 4.26Å; M123-F125 HydrophobicContact SD-CE2 3.91Å; M123-F125 HydrophobicContact SD-CZ 3.48Å; M123-F125 WeakPolarHBondContact SD-CZ 3.38Å; F125-F129 HydrophobicContact CB-CD2 3.8Å; F125-F129 HydrophobicContact CB-CE2 4.16Å; F125-F129 AromaticContact CD1-CD2 3.87Å; F125-F129 HydrophobicContact CD1-CD2 3.87Å; F125-F129 HydrophobicContact CD1-CE2 4.06Å; F125-F129 HydrophobicContact CD1-CG 4.08Å; F125-F129 HydrophobicContact CD1-CZ 4.46Å; F125-F129 HydrophobicContact CG-CD2 4.32Å; F125-K134 HydrophobicContact CB-CD 4.45Å; F125-K134 HydrophobicContact CB-CG 4.3Å; F125-K134 HydrophobicContact CD1-CG 3.96Å; F125-K134 HydrophobicContact CD2-CB 4.36Å; F125-K134 HydrophobicContact CD2-CD 4.49Å; F125-K134 HydrophobicContact CD2-CG 4.01Å; F125-K134 HydrophobicContact CE1-CB 4.47Å; F125-K134 HydrophobicContact CE1-CG 4.29Å; F125-K134 HydrophobicContact CE2-CB 4.23Å; F125-K134 HydrophobicContact CE2-CG 4.34Å; F125-K134 HydrophobicContact CG-CD 4.39Å; F125-K134 HydrophobicContact CG-CG 3.82Å; F125-K134 HydrophobicContact CZ-CB 4.28Å; F125-K134 HydrophobicContact CZ-CG 4.47Å; F125-K134 WeakPolarHBondContact CZ-O 3.49Å; F125-R137 HydrophobicContact CE1-CB 3.73Å; F125-R137 HydrophobicContact CE1-CG 4.42Å; F125-R137 HydrophobicContact CZ-CB 3.97Å; F125-C138 HydrophobicContact CZ-CB 4.33Å; F125-A151 HydrophobicContact CD2-CB 4.1Å; F125-A151 HydrophobicContact CE2-CB 3.46Å; F125-A151 VanDerWaalsContact CE2-CB 3.46Å; F125-A151 HydrophobicContact CZ-CB 4.42Å
126	E	64.7	Low	65.5	Low	77 Å²	77	58.3 Å²	58.3	36%	0.36	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	103.2	178.7	-75.4	171.2	-171.6	0	0	109.5	G37 H38 S40 R124	G37-E126 CarbonylContact C-O 3.59Å; G37-E126 WeakPolarHBondContact CA-O 3.33Å; H38-E126 PolarHBondContact N-O 3.46Å; H38-E126 PolarHBondContact O-N 2.92Å; S40-E126 VanDerWaalsContact CB-CD 3.45Å; S40-E126 WeakPolarHBondContact CB-OE1 3.46Å; S40-E126 WeakPolarHBondContact CB-OE2 3.14Å; S40-E126 PolarHBondContact OG-OE1 3.22Å; R124-E126 HydrophobicContact CG-CG 4.43Å; R124-E126 IonicContact CZ-OE1 3.12Å; R124-E126 IonicContact NE-OE1 2.69Å; R124-E126 PolarHBondContact NE-OE1 3.03Å; R124-E126 IonicContact NH2-OE1 2.82Å; R124-E126 PolarHBondContact NH2-OE1 3.09Å
127	G	66.2	Low	65.6	Low	47 Å²	47	56.8 Å²	56.8	49%	0.485	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	134.3	-171.3	-178.9	0	0	0	0	0	113.6	E36 F129	E36-G127 CarbonylContact O-C 3.51Å; E36-G127 WeakPolarHBondContact O-CA 3.22Å; G127-F129 VanDerWaalsContact C-N 3.27Å; G127-F129 PolarHBondContact O-N 3.32Å; G127-F129 VanDerWaalsContact O-N 3.14Å
128	T	69	Low	65.6	Low	123 Å²	123	56.1 Å²	56.1	76%	0.755	28%	0.282	S	S	*	.			trans	-87.9	44.5	-172.2	55.9	0	0	0	0	113.1	E36	E36-T128 PolarHBondContact O-N 3.04Å; E36-T128 PolarHBondContact O-OG1 2.95Å
129	F	67.5	Low	65.5	Low	10 Å²	10	56.3 Å²	56.3	4%	0.044	28%	0.283	C	S	.	.			trans	-69.8	133.9	172.2	-58.5	-81.4	0	0	0	111.4	Y34 E36 G37 T39 F125 G127 K134	Y34-F129 AromaticContact CD2-CE1 3.76Å; Y34-F129 HydrophobicContact CD2-CE1 3.76Å; Y34-F129 HydrophobicContact CD2-CZ 4Å; Y34-F129 HydrophobicContact CG-CE1 4.18Å; E36-F129 HydrophobicContact CB-CD1 3.97Å; E36-F129 HydrophobicContact CB-CE1 4.09Å; E36-F129 WeakPolarHBondContact OE2-CD1 3.45Å; G37-F129 WeakPolarHBondContact O-CZ 3.44Å; T39-F129 HydrophobicContact CG2-CZ 4.35Å; F125-F129 HydrophobicContact CB-CD2 3.8Å; F125-F129 HydrophobicContact CB-CE2 4.16Å; F125-F129 AromaticContact CD1-CD2 3.87Å; F125-F129 HydrophobicContact CD1-CD2 3.87Å; F125-F129 HydrophobicContact CD1-CE2 4.06Å; F125-F129 HydrophobicContact CD1-CG 4.08Å; F125-F129 HydrophobicContact CD1-CZ 4.46Å; F125-F129 HydrophobicContact CG-CD2 4.32Å; G127-F129 VanDerWaalsContact C-N 3.27Å; G127-F129 PolarHBondContact O-N 3.32Å; G127-F129 VanDerWaalsContact O-N 3.14Å; F129-K134 HydrophobicContact CB-CD 4.41Å; F129-K134 HydrophobicContact CB-CG 3.79Å; F129-K134 VanDerWaalsContact O-CE 3.26Å; F129-K134 WeakPolarHBondContact O-CE 3.48Å
130	S	70.5	Confident	65.3	Low	49 Å²	49	61.2 Å²	61.2	34%	0.343	31%	0.314	S	S	.	.			trans	-65.3	161.5	171.6	87	0	0	0	0	111.4	I132 D133 K134	S130-I132 VanDerWaalsContact C-N 3.27Å; S130-I132 PolarHBondContact O-N 3.08Å; S130-I132 PolarHBondContact OG-N 2.78Å; S130-D133 VanDerWaalsContact CB-OD2 3.26Å; S130-D133 WeakPolarHBondContact CB-OD2 3.34Å; S130-D133 PolarHBondContact O-N 2.9Å; S130-D133 VanDerWaalsContact OG-CG 3.25Å; S130-D133 PolarHBondContact OG-N 2.83Å; S130-D133 PolarHBondContact OG-OD2 3.22Å; S130-K134 WeakPolarHBondContact O-CG 3.35Å; S130-K134 PolarHBondContact O-N 3.29Å
131	L	65.4	Low	64.8	Low	89 Å²	89	61.7 Å²	61.7	47%	0.466	32%	0.32	S	S	.	.	H	α-helix	trans	-61.8	-37.3	176.8	-175.5	66.2	0	0	0	111.8	K134 M135	L131-K134 PolarHBondContact O-N 3.41Å; L131-M135 HydrophobicContact CD1-CE 4.29Å; L131-M135 HydrophobicContact CD2-CE 3.88Å; L131-M135 HydrophobicContact CG-CE 3.63Å; L131-M135 WeakPolarHBondContact O-CG 3.36Å; L131-M135 PolarHBondContact O-N 3.4Å
132	I	68.1	Low	64.4	Low	130 Å²	130	61.9 Å²	61.9	67%	0.667	32%	0.321	S	S	*	.	H	α-helix	trans	-65	-43.4	176.7	-62	170.7	0	0	0	110.1	S130 M135 R136	S130-I132 VanDerWaalsContact C-N 3.27Å; S130-I132 PolarHBondContact O-N 3.08Å; S130-I132 PolarHBondContact OG-N 2.78Å; I132-M135 PolarHBondContact O-N 3.36Å; I132-R136 WeakPolarHBondContact O-CB 3.48Å; I132-R136 PolarHBondContact O-N 3.18Å
133	D	68.5	Low	63.8	Low	47 Å²	47	63.1 Å²	63.1	25%	0.251	35%	0.346	S	S	.	.	H	α-helix	trans	-64.6	-43.6	176.9	-70	-55.5	0	0	0	111.6	S130 M135 R136 R137	S130-D133 VanDerWaalsContact CB-OD2 3.26Å; S130-D133 WeakPolarHBondContact CB-OD2 3.34Å; S130-D133 PolarHBondContact O-N 2.9Å; S130-D133 VanDerWaalsContact OG-CG 3.25Å; S130-D133 PolarHBondContact OG-N 2.83Å; S130-D133 PolarHBondContact OG-OD2 3.22Å; D133-M135 PolarHBondContact O-N 3.1Å; D133-R136 PolarHBondContact O-N 2.18Å; D133-R137 WeakPolarHBondContact O-CB 3.19Å; D133-R137 WeakPolarHBondContact O-CD 3.49Å; D133-R137 WeakPolarHBondContact O-CG 3.05Å; D133-R137 PolarHBondContact O-N 3.01Å
134	K	65.5	Low	63	Low	67 Å²	67	65 Å²	65	29%	0.291	35%	0.353	S	S	.	.	H	α-helix	trans	-57.8	-47.6	174.4	-71.4	175	-176.9	173.5	0	111.4	F125 F129 S130 L131 C138	F125-K134 HydrophobicContact CB-CD 4.45Å; F125-K134 HydrophobicContact CB-CG 4.3Å; F125-K134 HydrophobicContact CD1-CG 3.96Å; F125-K134 HydrophobicContact CD2-CB 4.36Å; F125-K134 HydrophobicContact CD2-CD 4.49Å; F125-K134 HydrophobicContact CD2-CG 4.01Å; F125-K134 HydrophobicContact CE1-CB 4.47Å; F125-K134 HydrophobicContact CE1-CG 4.29Å; F125-K134 HydrophobicContact CE2-CB 4.23Å; F125-K134 HydrophobicContact CE2-CG 4.34Å; F125-K134 HydrophobicContact CG-CD 4.39Å; F125-K134 HydrophobicContact CG-CG 3.82Å; F125-K134 HydrophobicContact CZ-CB 4.28Å; F125-K134 HydrophobicContact CZ-CG 4.47Å; F125-K134 WeakPolarHBondContact CZ-O 3.49Å; F129-K134 HydrophobicContact CB-CD 4.41Å; F129-K134 HydrophobicContact CB-CG 3.79Å; F129-K134 VanDerWaalsContact O-CE 3.26Å; F129-K134 WeakPolarHBondContact O-CE 3.48Å; S130-K134 WeakPolarHBondContact O-CG 3.35Å; S130-K134 PolarHBondContact O-N 3.29Å; L131-K134 PolarHBondContact O-N 3.41Å; K134-C138 WeakPolarHBondContact O-CB 3.37Å; K134-C138 PolarHBondContact O-N 3.33Å
135	M	64.1	Low	62.1	Low	41 Å²	41	64.3 Å²	64.3	20%	0.202	35%	0.351	C	S	.	.	H	α-helix	trans	-60.8	-53.6	175.9	-73.3	-167.4	-119.3	0	0	111.5	L131 I132 D133 R137 C138 E139 N148	L131-M135 HydrophobicContact CD1-CE 4.29Å; L131-M135 HydrophobicContact CD2-CE 3.88Å; L131-M135 HydrophobicContact CG-CE 3.63Å; L131-M135 WeakPolarHBondContact O-CG 3.36Å; L131-M135 PolarHBondContact O-N 3.4Å; I132-M135 PolarHBondContact O-N 3.36Å; D133-M135 PolarHBondContact O-N 3.1Å; M135-R137 VanDerWaalsContact C-N 3.35Å; M135-R137 PolarHBondContact O-N 2.86Å; M135-C138 WeakPolarHBondContact O-CB 3.42Å; M135-C138 PolarHBondContact O-N 2.91Å; M135-C138 VanDerWaalsContact O-N 3.13Å; M135-E139 WeakPolarHBondContact O-CG 3.15Å; M135-E139 PolarHBondContact O-N 2.99Å; M135-N148 WeakPolarHBondContact CE-OD1 3.31Å
136	R	64.9	Low	61.2	Low	114 Å²	114	63.5 Å²	63.5	43%	0.43	35%	0.349	S	S	.	.	H	α-helix	trans	-59.3	-42	-178	-171.1	-177.8	-170.1	164.8	10	112.9	I132 D133 V140	I132-R136 WeakPolarHBondContact O-CB 3.48Å; I132-R136 PolarHBondContact O-N 3.18Å; D133-R136 PolarHBondContact O-N 2.18Å; R136-V140 WeakPolarHBondContact O-CB 3.22Å; R136-V140 VanDerWaalsContact O-CG2 3.26Å; R136-V140 WeakPolarHBondContact O-CG2 3.01Å; R136-V140 PolarHBondContact O-N 3.4Å
137	R	63.8	Low	60.3	Low	40 Å²	40	61.2 Å²	61.2	15%	0.151	35%	0.346	C	S	.	.	H	α-helix	trans	-69.8	-36	178.4	-66.5	160.3	-171	-90.1	14.5	111.5	Y34 E36 F125 D133 M135 G141	Y34-R137 VanDerWaalsContact CD1-NH1 3.3Å; Y34-R137 VanDerWaalsContact CG-NH1 3.29Å; E36-R137 IonicContact OE2-CZ 3.27Å; E36-R137 IonicContact OE2-NH2 2.72Å; E36-R137 PolarHBondContact OE2-NH2 2.72Å; F125-R137 HydrophobicContact CE1-CB 3.73Å; F125-R137 HydrophobicContact CE1-CG 4.42Å; F125-R137 HydrophobicContact CZ-CB 3.97Å; D133-R137 WeakPolarHBondContact O-CB 3.19Å; D133-R137 WeakPolarHBondContact O-CD 3.49Å; D133-R137 WeakPolarHBondContact O-CG 3.05Å; D133-R137 PolarHBondContact O-N 3.01Å; M135-R137 VanDerWaalsContact C-N 3.35Å; M135-R137 PolarHBondContact O-N 2.86Å; R137-G141 PolarHBondContact O-N 2.89Å
138	C	62.8	Low	59.3	Low	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-67.7	-42.1	174.7	176.2	0	0	0	0	111.8	M123 F125 K134 M135 G141 S142 C146 A151 C153	M123-C138 HydrophobicContact SD-CB 4.41Å; F125-C138 HydrophobicContact CZ-CB 4.33Å; K134-C138 WeakPolarHBondContact O-CB 3.37Å; K134-C138 PolarHBondContact O-N 3.33Å; M135-C138 WeakPolarHBondContact O-CB 3.42Å; M135-C138 PolarHBondContact O-N 2.91Å; M135-C138 VanDerWaalsContact O-N 3.13Å; C138-G141 PolarHBondContact O-N 3.49Å; C138-S142 VanDerWaalsContact O-CB 3.3Å; C138-S142 WeakPolarHBondContact O-CB 3.37Å; C138-S142 PolarHBondContact O-N 2.84Å; C138-S142 PolarHBondContact O-OG 2.81Å; C138-C146 HydrophobicContact CB-CB 3.76Å; C138-C146 WeakPolarHBondContact CB-SG 3.44Å; C138-C146 WeakPolarHBondContact SG-CB 3.36Å; C138-C146 CovalentContact SG-SG 2.03Å; C138-C146 PolarHBondContact SG-SG 3.49Å; C138-A151 HydrophobicContact CB-CB 3.96Å; C138-C153 PolarHBondContact SG-SG 2.97Å
139	E	60.7	Low	57.9	Low	88 Å²	88	67.1 Å²	67.1	41%	0.411	36%	0.356	S	S	.	.	H	α-helix	trans	-63	-48.7	174.3	-72.1	172.3	163.2	0	0	111.6	M135 G141 G143 F144 C146	M135-E139 WeakPolarHBondContact O-CG 3.15Å; M135-E139 PolarHBondContact O-N 2.99Å; E139-G141 VanDerWaalsContact C-N 3.34Å; E139-G141 PolarHBondContact O-N 2.84Å; E139-G143 WeakPolarHBondContact O-CA 3.28Å; E139-G143 PolarHBondContact O-N 3.02Å; E139-F144 WeakPolarHBondContact CA-O 3.38Å; E139-C146 HydrophobicContact CG-CB 4.34Å; E139-C146 PolarHBondContact N-SG 3.45Å
140	V	60.1	Low	56.1	Low	124 Å²	124	70.8 Å²	70.8	75%	0.752	38%	0.38	S	S	*	.	H	α-helix	trans	-63.4	-38.1	176.2	169.9	0	0	0	0	112.1	R136	R136-V140 WeakPolarHBondContact O-CB 3.22Å; R136-V140 VanDerWaalsContact O-CG2 3.26Å; R136-V140 WeakPolarHBondContact O-CG2 3.01Å; R136-V140 PolarHBondContact O-N 3.4Å
141	G	54	Low	54	Low	16 Å²	16	69.1 Å²	69.1	17%	0.165	37%	0.369	C	S	.	.	H	α-helix	trans	-78.8	-22.5	-177.2	0	0	0	0	0	115	G27 R137 C138 E139	G27-G141 PolarHBondContact N-O 3.33Å; R137-G141 PolarHBondContact O-N 2.89Å; C138-G141 PolarHBondContact O-N 3.49Å; E139-G141 VanDerWaalsContact C-N 3.34Å; E139-G141 PolarHBondContact O-N 2.84Å
142	S	54	Low	52.2	Low	6 Å²	6	65.7 Å²	65.7	4%	0.042	35%	0.352	C	S	.	.	H	α-helix	trans	-109.5	-26.6	-177.3	65.9	0	0	0	0	114.6	N26 C138 F144 C153	N26-S142 VanDerWaalsContact CB-O 3.29Å; N26-S142 WeakPolarHBondContact CB-O 3.32Å; N26-S142 PolarHBondContact ND2-O 3.27Å; C138-S142 VanDerWaalsContact O-CB 3.3Å; C138-S142 WeakPolarHBondContact O-CB 3.37Å; C138-S142 PolarHBondContact O-N 2.84Å; C138-S142 PolarHBondContact O-OG 2.81Å; S142-F144 VanDerWaalsContact O-CD2 3.26Å; S142-F144 WeakPolarHBondContact O-CD2 3.28Å; S142-F144 PolarHBondContact OG-N 2.88Å; S142-F144 PolarHBondContact OG-O 2.8Å; S142-F144 VanDerWaalsContact OG-O 3.11Å; S142-C153 WeakPolarHBondContact CB-SG 3.28Å; S142-C153 PolarHBondContact OG-SG 2.78Å; S142-C153 VanDerWaalsContact OG-SG 3.33Å
143	G	49	Very low	50.3	Low	66 Å²	66	59.5 Å²	59.5	68%	0.68	32%	0.32	S	S	*	.	S	Bend	trans	75.4	7	-165.9	0	0	0	0	0	114.1	E139	E139-G143 WeakPolarHBondContact O-CA 3.28Å; E139-G143 PolarHBondContact O-N 3.02Å
144	F	50.7	Low	48.4	Very low	62 Å²	62	60.3 Å²	60.3	27%	0.272	33%	0.326	S	S	.	.	S	Bend	trans	-126	155.2	-178.1	-59.5	-70.7	0	0	0	111.6	N26 E139 S142 Y155	N26-F144 WeakPolarHBondContact ND2-CE2 3.43Å; E139-F144 WeakPolarHBondContact CA-O 3.38Å; S142-F144 VanDerWaalsContact O-CD2 3.26Å; S142-F144 WeakPolarHBondContact O-CD2 3.28Å; S142-F144 PolarHBondContact OG-N 2.88Å; S142-F144 PolarHBondContact OG-O 2.8Å; S142-F144 VanDerWaalsContact OG-O 3.11Å; F144-Y155 HydrophobicContact CE2-CD1 4.12Å; F144-Y155 AromaticContact CE2-CE1 3.95Å; F144-Y155 HydrophobicContact CE2-CE1 3.95Å; F144-Y155 HydrophobicContact CZ-CD1 4.35Å; F144-Y155 HydrophobicContact CZ-CE1 4.47Å
145	W	45.7	Very low	47.1	Very low	123 Å²	123	59 Å²	59	47%	0.466	32%	0.319	S	S	.	.			trans	-60.5	141.2	172.9	26.7	58	0	0	0	112.5	C176 P177	W145-C176 HydrophobicContact CH2-CB 3.41Å; W145-C176 VanDerWaalsContact CH2-CB 3.41Å; W145-C176 WeakPolarHBondContact CH2-SG 3.38Å; W145-C176 HydrophobicContact CZ2-CB 4.17Å; W145-C176 WeakPolarHBondContact CZ2-SG 3.3Å; W145-C176 HydrophobicContact CZ3-CB 4.11Å; W145-P177 HydrophobicContact CH2-CG 4.29Å; W145-P177 HydrophobicContact CZ3-CG 4.47Å
146	C	49.6	Very low	45.5	Very low	14 Å²	14	58.6 Å²	58.6	10%	0.095	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-108.6	135.5	-179.4	-66.3	0	0	0	0	112.8	C138 E139 V152 C153	C138-C146 HydrophobicContact CB-CB 3.76Å; C138-C146 WeakPolarHBondContact CB-SG 3.44Å; C138-C146 WeakPolarHBondContact SG-CB 3.36Å; C138-C146 CovalentContact SG-SG 2.03Å; C138-C146 PolarHBondContact SG-SG 3.49Å; E139-C146 HydrophobicContact CG-CB 4.34Å; E139-C146 PolarHBondContact N-SG 3.45Å; C146-V152 WeakPolarHBondContact CA-O 3.48Å; C146-C153 VanDerWaalsContact SG-SG 3.61Å
147	G	45.9	Very low	44	Very low	29 Å²	29	60.8 Å²	60.8	30%	0.299	34%	0.341	S	S	.	.			trans	-62.8	152.8	-179.1	0	0	0	0	0	114.3	Q149 T150 V152	G147-Q149 VanDerWaalsContact C-N 3.34Å; G147-Q149 PolarHBondContact O-N 2.76Å; G147-T150 CarbonylContact C-O 3.59Å; G147-V152 PolarHBondContact N-O 3.13Å
148	N	45.2	Very low	42.5	Very low	114 Å²	114	63.4 Å²	63.4	61%	0.61	36%	0.356	S	S	*	.	S	Bend	trans	-75.5	-10.2	-167.8	-162.4	15.1	0	0	0	115.5	M135	M135-N148 WeakPolarHBondContact CE-OD1 3.31Å
149	Q	39.7	Very low	40.8	Very low	180 Å²	180	70.4 Å²	70.4	84%	0.841	38%	0.383	S	S	*	.	S	Bend	trans	-121.8	-21.2	-171.1	-67.7	-177.8	-9.1	0	0	114.5	G147	G147-Q149 VanDerWaalsContact C-N 3.34Å; G147-Q149 PolarHBondContact O-N 2.76Å
150	T	29.9	Very low	39.4	Very low	88 Å²	88	68.7 Å²	68.7	54%	0.54	38%	0.38	S	S	.	.	S	Bend	trans	-147	151.2	168.7	33.4	0	0	0	0	105.7	G147 V152	G147-T150 CarbonylContact C-O 3.59Å; T150-V152 WeakPolarHBondContact O-CG2 3.26Å; T150-V152 PolarHBondContact O-N 2.03Å; T150-V152 WeakPolarHBondContact OG1-CG2 3.26Å
151	A	27.1	Very low	38	Very low	14 Å²	14	65.5 Å²	65.5	12%	0.116	36%	0.359	C	S	.	.			trans	-71.2	74.2	178.8	0	0	0	0	0	110.8	M123 F125 C138	M123-A151 PolarHBondContact N-O 3.1Å; F125-A151 HydrophobicContact CD2-CB 4.1Å; F125-A151 HydrophobicContact CE2-CB 3.46Å; F125-A151 VanDerWaalsContact CE2-CB 3.46Å; F125-A151 HydrophobicContact CZ-CB 4.42Å; C138-A151 HydrophobicContact CB-CB 3.96Å
152	V	27.5	Very low	36.9	Very low	17 Å²	17	72.6 Å²	72.6	10%	0.103	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	109.9	-177.4	-169	0	0	0	0	108.6	Y122 C146 G147 T150 V154	Y122-V152 HydrophobicContact CD1-CG2 3.85Å; Y122-V152 HydrophobicContact CE1-CB 4.24Å; Y122-V152 HydrophobicContact CE1-CG1 4.04Å; Y122-V152 HydrophobicContact CE1-CG2 3.36Å; Y122-V152 HydrophobicContact CE2-CG1 4.18Å; C146-V152 WeakPolarHBondContact CA-O 3.48Å; G147-V152 PolarHBondContact N-O 3.13Å; T150-V152 WeakPolarHBondContact O-CG2 3.26Å; T150-V152 PolarHBondContact O-N 2.03Å; T150-V152 WeakPolarHBondContact OG1-CG2 3.26Å; V152-V154 HydrophobicContact CG1-CG2 4.21Å; V152-V154 PolarHBondContact O-N 2.72Å
153	C	28.5	Very low	35.7	Very low	0 Å²	0	74.9 Å²	74.9	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	107.2	165.4	-48.8	0	0	0	0	106.8	A121 C138 S142 C146 Y155	A121-C153 HydrophobicContact CB-CB 3.88Å; A121-C153 PolarHBondContact N-O 3.33Å; A121-C153 PolarHBondContact O-N 2.82Å; C138-C153 PolarHBondContact SG-SG 2.97Å; S142-C153 WeakPolarHBondContact CB-SG 3.28Å; S142-C153 PolarHBondContact OG-SG 2.78Å; S142-C153 VanDerWaalsContact OG-SG 3.33Å; C146-C153 VanDerWaalsContact SG-SG 3.61Å; C153-Y155 PolarHBondContact O-N 3.27Å
154	V	28.9	Very low	34.7	Very low	63 Å²	63	80.4 Å²	80.4	38%	0.382	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	109	173.2	-177.8	0	0	0	0	107.1	V152 G156	V152-V154 HydrophobicContact CG1-CG2 4.21Å; V152-V154 PolarHBondContact O-N 2.72Å; V154-G156 PolarHBondContact O-N 3.12Å
155	Y	36.5	Very low	33.7	Very low	39 Å²	39	80 Å²	80	15%	0.153	43%	0.433	C	S	.	.			trans	-58.3	127.5	166.1	-76.3	-89.8	0	0	0	107.5	Y24 H44 M119 A121 F144 C153	Y24-Y155 PolarHBondContact O-OH 2.86Å; H44-Y155 AromaticContact CD2-CE2 3.74Å; H44-Y155 AromaticContact NE2-CE2 3.46Å; H44-Y155 WeakPolarHBondContact NE2-CE2 3.35Å; H44-Y155 AromaticContact NE2-CZ 3.21Å; H44-Y155 PolarHBondContact NE2-OH 3.42Å; M119-Y155 HydrophobicContact CB-CD2 4.23Å; M119-Y155 HydrophobicContact CG-CD2 3.81Å; M119-Y155 HydrophobicContact CG-CE2 4.05Å; M119-Y155 HydrophobicContact CG-CG 4.49Å; A121-Y155 HydrophobicContact CB-CD2 4.46Å; A121-Y155 HydrophobicContact CB-CE2 3.68Å; F144-Y155 HydrophobicContact CE2-CD1 4.12Å; F144-Y155 AromaticContact CE2-CE1 3.95Å; F144-Y155 HydrophobicContact CE2-CE1 3.95Å; F144-Y155 HydrophobicContact CZ-CD1 4.35Å; F144-Y155 HydrophobicContact CZ-CE1 4.47Å; C153-Y155 PolarHBondContact O-N 3.27Å
156	G	31.4	Very low	32.9	Very low	33 Å²	33	76.8 Å²	76.8	34%	0.34	43%	0.429	S	S	.	.			trans	-55.4	156.5	173.5	0	0	0	0	0	110.9	V154 M158	V154-G156 PolarHBondContact O-N 3.12Å; G156-M158 PolarHBondContact O-N 2.91Å
157	Q	32.4	Very low	31.7	Very low	161 Å²	161	83.4 Å²	83.4	75%	0.752	46%	0.457	S	S	*	.			trans	-60.2	99.9	178.9	-71.9	-177.8	-10.5	0	0	110.4	R159	Q157-R159 PolarHBondContact O-N 2.77Å
158	M	33	Very low	30.8	Very low	94 Å²	94	89.1 Å²	89.1	46%	0.463	48%	0.481	S	S	.	.			trans	-68.5	122.1	169.2	-75.2	-178	162	0	0	108.8	M1 G156 I174	M1-M158 WeakPolarHBondContact CE-O 3.29Å; G156-M158 PolarHBondContact O-N 2.91Å; M158-I174 HydrophobicContact CG-CD1 4.33Å
159	R	27.4	Very low	29.8	Very low	147 Å²	147	86.1 Å²	86.1	56%	0.555	48%	0.477	S	S	*	.			trans	-97.5	114.1	173.2	-96.6	-168.8	-177.2	-161.7	3	108.3	Q157 D161	Q157-R159 PolarHBondContact O-N 2.77Å; R159-D161 WeakPolarHBondContact CA-OD1 3.33Å; R159-D161 WeakPolarHBondContact CB-OD1 3.39Å; R159-D161 VanDerWaalsContact CG-OD1 3.26Å; R159-D161 WeakPolarHBondContact CG-OD1 3.37Å; R159-D161 IonicContact NH1-OD2 2.91Å; R159-D161 PolarHBondContact O-N 2.73Å
160	C	32	Very low	29	Very low	53 Å²	53	80 Å²	80	36%	0.358	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-72.3	-11.2	-178.9	-62.6	0	0	0	0	112.4	C19 Q162	C19-C160 VanDerWaalsContact SG-SG 3.68Å; C160-Q162 VanDerWaalsContact C-N 3.31Å; C160-Q162 PolarHBondContact O-N 2.92Å
161	D	30.1	Very low	28.7	Very low	56 Å²	56	82.5 Å²	82.5	30%	0.299	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-80.7	1.2	-176.4	49.3	-63.4	0	0	0	115.2	V4 R159	V4-D161 HydrophobicContact CB-CB 3.71Å; V4-D161 HydrophobicContact CG2-CB 4.11Å; R159-D161 WeakPolarHBondContact CA-OD1 3.33Å; R159-D161 WeakPolarHBondContact CB-OD1 3.39Å; R159-D161 VanDerWaalsContact CG-OD1 3.26Å; R159-D161 WeakPolarHBondContact CG-OD1 3.37Å; R159-D161 IonicContact NH1-OD2 2.91Å; R159-D161 PolarHBondContact O-N 2.73Å
162	Q	30.5	Very low	28.8	Very low	166 Å²	166	89.6 Å²	89.6	78%	0.776	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-123.2	7	177.8	-66.6	-172.1	-41.3	0	0	114.1	C160	C160-Q162 VanDerWaalsContact C-N 3.31Å; C160-Q162 PolarHBondContact O-N 2.92Å
163	A	28.6	Very low	28.7	Very low	54 Å²	54	97.4 Å²	97.4	45%	0.446	55%	0.549	S	S	.	.			trans	-104.7	93.4	-176.6	0	0	0	0	0	112	G165	A163-G165 VanDerWaalsContact C-N 3.27Å; A163-G165 PolarHBondContact O-N 3.2Å
164	D	28.2	Very low	28.7	Very low	182 Å²	182	102.1 Å²	102.1	97%	0.973	57%	0.573	S	S	*	*	S	Bend	trans	-64.7	89.1	164	-86.9	-29.2	0	0	0	109.5
165	G	29.5	Very low	28.5	Very low	52 Å²	52	102.8 Å²	102.8	54%	0.536	59%	0.593	S	S	.	*			trans	94.3	101.7	-178.3	0	0	0	0	0	113.5	A163 F167	A163-G165 VanDerWaalsContact C-N 3.27Å; A163-G165 PolarHBondContact O-N 3.2Å; G165-F167 PolarHBondContact O-N 2.89Å
166	C	28.4	Very low	28.1	Very low	56 Å²	56	104.3 Å²	104.3	38%	0.378	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.3	37.7	166.2	-68.5	0	0	0	0	113.6
167	F	26.1	Very low	27.8	Very low	153 Å²	153	107.2 Å²	107.2	67%	0.671	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.3	19.1	-174.5	-106.3	-75.5	0	0	0	114.7	K20 G165	K20-F167 HydrophobicContact CD-CE2 3.92Å; K20-F167 HydrophobicContact CD-CZ 4.17Å; G165-F167 PolarHBondContact O-N 2.89Å
168	D	25.4	Very low	27.5	Very low	150 Å²	150	105.3 Å²	105.3	80%	0.802	62%	0.622	S	S	*	*			trans	-113.3	137.8	160.6	-132.8	-30.8	0	0	0	113.3
169	G	24.1	Very low	27.4	Very low	51 Å²	51	107.1 Å²	107.1	53%	0.526	64%	0.639	S	S	.	*			trans	-107.7	69.9	-177.1	0	0	0	0	0	110.3	K22	K22-G169 VanDerWaalsContact NZ-CA 3.26Å
170	G	22.8	Very low	27.5	Very low	52 Å²	52	109 Å²	109	54%	0.536	65%	0.646	S	S	.	*			trans	-169.2	122.5	-178	0	0	0	0	0	112.7
171	T	25	Very low	27.4	Very low	140 Å²	140	114.4 Å²	114.4	86%	0.859	67%	0.671	S	S	*	*			trans	45.1	89.2	143.4	60.6	0	0	0	0	117.6
172	D	28	Very low	27.4	Very low	163 Å²	163	120 Å²	120	87%	0.872	69%	0.689	S	S	*	*			trans	-134.5	130	138.2	-97.8	-39	0	0	0	109.4	I174	D172-I174 PolarHBondContact O-N 2.95Å
173	E	26.3	Very low	27.2	Very low	181 Å²	181	117.7 Å²	117.7	85%	0.846	69%	0.687	S	S	*	*			trans	-74.7	94.7	-175.6	-65.7	179.9	147.7	0	0	109.8	G175	E173-G175 PolarHBondContact O-N 2.91Å
174	I	29	Very low	27.2	Very low	98 Å²	98	122.1 Å²	122.1	50%	0.503	70%	0.698	S	S	.	*			trans	-57.5	117.2	166.3	-63.3	176.8	0	0	0	107.2	M158 D172 C176	M158-I174 HydrophobicContact CG-CD1 4.33Å; D172-I174 PolarHBondContact O-N 2.95Å; I174-C176 VanDerWaalsContact C-N 3.33Å; I174-C176 PolarHBondContact O-N 2.67Å; I174-C176 PolarHBondContact O-SG 3.07Å; I174-C176 VanDerWaalsContact O-SG 3.36Å
175	G	24.7	Very low	27.2	Very low	78 Å²	78	118.5 Å²	118.5	80%	0.804	68%	0.682	S	S	*	*			trans	-56.2	85.7	-170	0	0	0	0	0	114.4	E173	E173-G175 PolarHBondContact O-N 2.91Å
176	C	26.5	Very low	27.2	Very low	70 Å²	70	121.6 Å²	121.6	47%	0.473	68%	0.683	S	S	.	*	P	Polyproline II helix	trans	-78.3	130.4	170	-72.7	0	0	0	0	108.7	W145 I174	W145-C176 HydrophobicContact CH2-CB 3.41Å; W145-C176 VanDerWaalsContact CH2-CB 3.41Å; W145-C176 WeakPolarHBondContact CH2-SG 3.38Å; W145-C176 HydrophobicContact CZ2-CB 4.17Å; W145-C176 WeakPolarHBondContact CZ2-SG 3.3Å; W145-C176 HydrophobicContact CZ3-CB 4.11Å; I174-C176 VanDerWaalsContact C-N 3.33Å; I174-C176 PolarHBondContact O-N 2.67Å; I174-C176 PolarHBondContact O-SG 3.07Å; I174-C176 VanDerWaalsContact O-SG 3.36Å
177	P	26.7	Very low	27.5	Very low	94 Å²	94	123 Å²	123	61%	0.61	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-51.2	140.8	169.4	20.4	-34.1	0	0	0	110.2	W145 V179	W145-P177 HydrophobicContact CH2-CG 4.29Å; W145-P177 HydrophobicContact CZ3-CG 4.47Å; P177-V179 PolarHBondContact O-N 3.02Å
178	P	25.6	Very low	27.8	Very low	121 Å²	121	127.5 Å²	127.5	79%	0.786	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-54.7	143.2	-171.3	21.9	-33.8	0	0	0	111	R180	P178-R180 PolarHBondContact O-N 2.78Å; P178-R180 VanDerWaalsContact O-N 3.08Å
179	V	30.2	Very low	28.2	Very low	132 Å²	132	130.3 Å²	130.3	80%	0.8	70%	0.703	S	S	*	*			trans	-44.4	120.3	178.5	-177.7	0	0	0	0	108.6	P177 N181	P177-V179 PolarHBondContact O-N 3.02Å; V179-N181 PolarHBondContact O-N 3.02Å; V179-N181 VanDerWaalsContact O-N 3.15Å
180	R	31.1	Very low	28.7	Very low	188 Å²	188	132 Å²	132	71%	0.709	71%	0.706	S	S	*	*			trans	-52.2	127.6	172.6	-78	-178.6	173.4	-177	-3	107.2	P178 Y182	P178-R180 PolarHBondContact O-N 2.78Å; P178-R180 VanDerWaalsContact O-N 3.08Å; R180-Y182 HydrophobicContact CB-CD2 3.96Å; R180-Y182 HydrophobicContact CB-CE2 3.61Å; R180-Y182 VanDerWaalsContact O-CD2 3.32Å; R180-Y182 WeakPolarHBondContact O-CD2 3.41Å; R180-Y182 PolarHBondContact O-N 3.42Å
181	N	28.8	Very low	29.4	Very low	166 Å²	166	136.7 Å²	136.7	89%	0.888	72%	0.719	S	S	*	*			trans	-65.5	73.5	175.7	-85	-18.1	0	0	0	110.4	V179 T183	V179-N181 PolarHBondContact O-N 3.02Å; V179-N181 VanDerWaalsContact O-N 3.15Å; N181-T183 PolarHBondContact O-N 2.78Å; N181-T183 VanDerWaalsContact O-N 3.11Å
182	Y	29.2	Very low	30	Very low	172 Å²	172	137.8 Å²	137.8	68%	0.675	72%	0.719	S	S	*	*			trans	-66.9	104.1	156	-66.9	-72.7	0	0	0	105.4	R180 H184	R180-Y182 HydrophobicContact CB-CD2 3.96Å; R180-Y182 HydrophobicContact CB-CE2 3.61Å; R180-Y182 VanDerWaalsContact O-CD2 3.32Å; R180-Y182 WeakPolarHBondContact O-CD2 3.41Å; R180-Y182 PolarHBondContact O-N 3.42Å; Y182-H184 PolarHBondContact O-N 2.88Å; Y182-H184 VanDerWaalsContact O-N 3.1Å
183	T	26.3	Very low	30.4	Very low	119 Å²	119	132.7 Å²	132.7	73%	0.73	70%	0.696	S	S	*	*			trans	-43.8	123.8	164	42.3	0	0	0	0	107.1	N181 V185	N181-T183 PolarHBondContact O-N 2.78Å; N181-T183 VanDerWaalsContact O-N 3.11Å; T183-V185 PolarHBondContact O-N 2.97Å
184	H	29	Very low	30.9	Very low	146 Å²	146	135.4 Å²	135.4	68%	0.676	70%	0.699	S	S	*	*			trans	-69.2	81.9	-169.9	-175.9	-62.3	0	0	0	109.2	Y182 Q186	Y182-H184 PolarHBondContact O-N 2.88Å; Y182-H184 VanDerWaalsContact O-N 3.1Å; H184-Q186 PolarHBondContact ND1-N 2.88Å; H184-Q186 PolarHBondContact O-N 3.4Å
185	V	28.5	Very low	31.7	Very low	107 Å²	107	135 Å²	135	65%	0.648	71%	0.705	S	S	*	*			trans	-64.6	92.6	166.7	-176.6	0	0	0	0	104.8	T183	T183-V185 PolarHBondContact O-N 2.97Å
186	Q	30.1	Very low	32.9	Very low	117 Å²	117	136.4 Å²	136.4	55%	0.547	70%	0.698	S	S	.	*			trans	-48.6	131.9	167.2	-70.3	-169.7	2.5	0	0	105.9	H184 R188	H184-Q186 PolarHBondContact ND1-N 2.88Å; H184-Q186 PolarHBondContact O-N 3.4Å; Q186-R188 PolarHBondContact O-N 3.48Å
187	P	33.9	Very low	34	Very low	84 Å²	84	143.3 Å²	143.3	55%	0.545	72%	0.715	S	S	.	*			trans	-52.3	121.8	170.7	24.6	-32.2	0	0	0	106	R189	P187-R189 PolarHBondContact O-N 3Å
188	R	32.7	Very low	35.3	Very low	248 Å²	248	142.8 Å²	142.8	94%	0.936	71%	0.707	S	S	*	*			trans	-52.1	107	-179.1	-81.5	-176.8	174.3	162.7	-2	106.1	Q186 S190	Q186-R188 PolarHBondContact O-N 3.48Å; R188-S190 PolarHBondContact O-N 3.25Å; R188-S190 VanDerWaalsContact O-N 3.12Å
189	R	34	Very low	36.8	Very low	209 Å²	209	140.4 Å²	140.4	79%	0.789	69%	0.691	S	S	*	*			trans	-54.7	125	-178.4	-76.2	177.8	171.7	167.7	-3.4	106.2	P187 L191	P187-R189 PolarHBondContact O-N 3Å; R189-L191 PolarHBondContact O-N 3.05Å
190	S	35.1	Very low	38.4	Very low	86 Å²	86	145 Å²	145	60%	0.601	69%	0.694	S	S	*	*			trans	-61.7	98.5	152.9	43.2	0	0	0	0	105.9	R188 N192	R188-S190 PolarHBondContact O-N 3.25Å; R188-S190 VanDerWaalsContact O-N 3.12Å; S190-N192 PolarHBondContact O-N 3.37Å
191	L	36.9	Very low	39.9	Very low	152 Å²	152	140.3 Å²	140.3	80%	0.796	69%	0.687	S	S	*	*	S	Bend	trans	-46.1	125.2	158.4	-67.6	156.6	0	0	0	105.4	R189	R189-L191 PolarHBondContact O-N 3.05Å
192	N	37.3	Very low	41.5	Very low	162 Å²	162	133.6 Å²	133.6	87%	0.866	66%	0.655	S	S	*	*	S	Bend	trans	97.2	50.9	-172.4	-46.2	-19.4	0	0	0	117.4	S190	S190-N192 PolarHBondContact O-N 3.37Å
193	S	37.5	Very low	43.2	Very low	56 Å²	56	130.9 Å²	130.9	39%	0.392	65%	0.651	S	S	.	*			trans	-147.2	42.2	162.6	57.5	0	0	0	0	115.1	S195	S193-S195 PolarHBondContact O-N 3.4Å
194	W	36	Very low	45.3	Very low	239 Å²	239	127.3 Å²	127.3	91%	0.905	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-10.3	178.2	67.6	-61.5	0	0	0	115.8
195	S	46.4	Very low	47.7	Very low	89 Å²	89	125 Å²	125	62%	0.622	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-13	-175.4	51.4	0	0	0	0	115.9	S193	S193-S195 PolarHBondContact O-N 3.4Å
196	V	49.9	Very low	50.1	Low	108 Å²	108	124.5 Å²	124.5	66%	0.655	62%	0.623	S	S	*	*	S	Bend	trans	-96.1	-14.1	-167	-172.9	0	0	0	0	113.9
197	Y	49.2	Very low	52.4	Low	215 Å²	215	122 Å²	122	84%	0.843	62%	0.616	S	S	*	*	S	Bend	trans	-107.9	10.6	-176.2	-86.6	-85.4	0	0	0	115.1	P199	Y197-P199 WeakPolarHBondContact O-CD 3.39Å
198	L	54	Low	54.6	Low	83 Å²	83	123.2 Å²	123.2	44%	0.435	62%	0.618	S	S	.	*	S	Bend	trans	-76.9	114.6	165.9	-92.5	138.7	0	0	0	108.8	W200 A202	L198-W200 PolarHBondContact O-N 3.39Å; L198-A202 HydrophobicContact CD2-CB 4.07Å
199	P	57.4	Low	57	Low	71 Å²	71	116.5 Å²	116.5	46%	0.461	60%	0.6	S	S	.	*			trans	-62	135.3	172	28	-33.6	0	0	0	108.1	Y197 T201 A202	Y197-P199 WeakPolarHBondContact O-CD 3.39Å; P199-T201 PolarHBondContact O-N 2.99Å; P199-A202 HydrophobicContact CG-CB 4.1Å; P199-A202 WeakPolarHBondContact O-CB 3.38Å; P199-A202 PolarHBondContact O-N 2.91Å
200	W	63.6	Low	59.4	Low	227 Å²	227	111.5 Å²	111.5	86%	0.86	59%	0.588	S	S	*	*	H	α-helix	trans	-48.5	-25.8	176.9	30.5	38.7	0	0	0	114.3	L198 L203 G204	L198-W200 PolarHBondContact O-N 3.39Å; W200-L203 PolarHBondContact O-N 2.91Å; W200-G204 PolarHBondContact O-N 2.91Å; W200-G204 VanDerWaalsContact O-N 3.12Å
201	T	61.9	Low	61.7	Low	90 Å²	90	113.2 Å²	113.2	55%	0.552	59%	0.589	S	S	*	*	H	α-helix	trans	-66.7	-33.7	173.7	48.8	0	0	0	0	113.1	P199 G204 L205	P199-T201 PolarHBondContact O-N 2.99Å; T201-G204 PolarHBondContact O-N 3.42Å; T201-L205 WeakPolarHBondContact O-CB 3.45Å; T201-L205 WeakPolarHBondContact O-CG 3.44Å; T201-L205 PolarHBondContact O-N 3.48Å
202	A	62.6	Low	63.9	Low	26 Å²	26	112.9 Å²	112.9	22%	0.215	58%	0.582	C	S	.	*	H	α-helix	trans	-71.6	-39.1	174.4	0	0	0	0	0	111.7	L198 P199 G204 L205 I206	L198-A202 HydrophobicContact CD2-CB 4.07Å; P199-A202 HydrophobicContact CG-CB 4.1Å; P199-A202 WeakPolarHBondContact O-CB 3.38Å; P199-A202 PolarHBondContact O-N 2.91Å; A202-G204 VanDerWaalsContact C-N 3.25Å; A202-G204 PolarHBondContact O-N 3.49Å; A202-L205 PolarHBondContact O-N 3.08Å; A202-I206 WeakPolarHBondContact O-CG1 3.38Å; A202-I206 PolarHBondContact O-N 3.08Å; A202-I206 VanDerWaalsContact O-N 3.1Å
203	L	65.2	Low	66.1	Low	114 Å²	114	107.1 Å²	107.1	60%	0.597	56%	0.556	S	S	*	*	H	α-helix	trans	-64.3	-28.3	173.5	-80.9	166.2	0	0	0	112.8	W200 P207	W200-L203 PolarHBondContact O-N 2.91Å; L203-P207 WeakPolarHBondContact O-CD 3.34Å; L203-P207 VanDerWaalsContact O-CG 3.3Å; L203-P207 WeakPolarHBondContact O-CG 3.17Å
204	G	70.8	Confident	68.3	Low	44 Å²	44	109.2 Å²	109.2	45%	0.454	56%	0.563	S	S	.	*	H	α-helix	trans	-81.6	-37.3	172	0	0	0	0	0	114.5	W200 T201 A202	W200-G204 PolarHBondContact O-N 2.91Å; W200-G204 VanDerWaalsContact O-N 3.12Å; T201-G204 PolarHBondContact O-N 3.42Å; A202-G204 VanDerWaalsContact C-N 3.25Å; A202-G204 PolarHBondContact O-N 3.49Å
205	L	77.8	Confident	70.3	Confident	97 Å²	97	99.9 Å²	99.9	51%	0.508	54%	0.541	S	S	.	.	H	α-helix	trans	-73.8	-39.4	-177	-83.5	165.4	0	0	0	113.5	T201 A202 L208 I209	T201-L205 WeakPolarHBondContact O-CB 3.45Å; T201-L205 WeakPolarHBondContact O-CG 3.44Å; T201-L205 PolarHBondContact O-N 3.48Å; A202-L205 PolarHBondContact O-N 3.08Å; L205-L208 PolarHBondContact O-N 2.73Å; L205-I209 HydrophobicContact CB-CD1 4.46Å; L205-I209 VanDerWaalsContact O-CG1 3.29Å; L205-I209 WeakPolarHBondContact O-CG1 3.29Å; L205-I209 PolarHBondContact O-N 2.96Å
206	I	79.5	Confident	71.8	Confident	97 Å²	97	101.3 Å²	101.3	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-62	-47.8	-176.1	-66.4	164.3	0	0	0	112.2	A202 L208 I209 L210	A202-I206 WeakPolarHBondContact O-CG1 3.38Å; A202-I206 PolarHBondContact O-N 3.08Å; A202-I206 VanDerWaalsContact O-N 3.1Å; I206-L208 VanDerWaalsContact C-N 3.33Å; I206-L208 PolarHBondContact O-N 2.75Å; I206-I209 PolarHBondContact O-N 3.09Å; I206-L210 HydrophobicContact CG2-CD1 4.21Å; I206-L210 PolarHBondContact O-N 3.09Å
207	P	78.4	Confident	73.1	Confident	64 Å²	64	102.6 Å²	102.6	42%	0.416	54%	0.543	S	S	.	.	H	α-helix	trans	-62.8	-37.4	174.9	-22.7	34.2	0	0	0	113	L203 L210 I211	L203-P207 WeakPolarHBondContact O-CD 3.34Å; L203-P207 VanDerWaalsContact O-CG 3.3Å; L203-P207 WeakPolarHBondContact O-CG 3.17Å; P207-L210 PolarHBondContact O-N 2.84Å; P207-I211 VanDerWaalsContact O-CG1 3.29Å; P207-I211 WeakPolarHBondContact O-CG1 3.35Å; P207-I211 PolarHBondContact O-N 3.12Å
208	L	81.1	Confident	74.1	Confident	111 Å²	111	97.1 Å²	97.1	58%	0.581	54%	0.535	S	S	*	.	H	α-helix	trans	-69.2	-39.7	-178.5	-165.7	148.9	0	0	0	111.6	L205 I206 I211 F212	L205-L208 PolarHBondContact O-N 2.73Å; I206-L208 VanDerWaalsContact C-N 3.33Å; I206-L208 PolarHBondContact O-N 2.75Å; L208-I211 PolarHBondContact O-N 2.86Å; L208-F212 WeakPolarHBondContact O-CB 3.38Å; L208-F212 PolarHBondContact O-N 2.72Å
209	I	83.1	Confident	74	Confident	107 Å²	107	95.4 Å²	95.4	55%	0.549	53%	0.532	S	S	.	.	H	α-helix	trans	-64.7	-41.1	172.3	-67.4	164.7	0	0	0	110.8	L205 I206 F212 A213	L205-I209 HydrophobicContact CB-CD1 4.46Å; L205-I209 VanDerWaalsContact O-CG1 3.29Å; L205-I209 WeakPolarHBondContact O-CG1 3.29Å; L205-I209 PolarHBondContact O-N 2.96Å; I206-I209 PolarHBondContact O-N 3.09Å; I209-F212 PolarHBondContact O-N 2.53Å; I209-A213 WeakPolarHBondContact O-CB 3.28Å; I209-A213 PolarHBondContact O-N 3.33Å
210	L	83.5	Confident	73.5	Confident	104 Å²	104	97.5 Å²	97.5	55%	0.545	55%	0.546	S	S	.	.	H	α-helix	trans	-63.6	-43	175.4	-80.6	167.3	0	0	0	112.5	I206 P207 F212 A213 L214	I206-L210 HydrophobicContact CG2-CD1 4.21Å; I206-L210 PolarHBondContact O-N 3.09Å; P207-L210 PolarHBondContact O-N 2.84Å; L210-F212 VanDerWaalsContact C-N 3.32Å; L210-F212 PolarHBondContact O-N 3.2Å; L210-A213 PolarHBondContact O-N 3.34Å; L210-L214 WeakPolarHBondContact O-CB 3.44Å; L210-L214 VanDerWaalsContact O-CG 3.28Å; L210-L214 WeakPolarHBondContact O-CG 3.44Å; L210-L214 PolarHBondContact O-N 3.44Å
211	I	84.2	Confident	72.4	Confident	122 Å²	122	98.7 Å²	98.7	63%	0.626	55%	0.55	S	S	*	*	H	α-helix	trans	-62.8	-40	174.6	-69.3	164.1	0	0	0	110.7	P207 L208 G215	P207-I211 VanDerWaalsContact O-CG1 3.29Å; P207-I211 WeakPolarHBondContact O-CG1 3.35Å; P207-I211 PolarHBondContact O-N 3.12Å; L208-I211 PolarHBondContact O-N 2.86Å; I211-G215 PolarHBondContact O-N 3.01Å
212	F	81.5	Confident	71.4	Confident	145 Å²	145	103 Å²	103	64%	0.636	56%	0.561	S	S	*	*	H	α-helix	trans	-68.7	-40.7	177.9	-157.3	-93.8	0	0	0	112.3	L208 I209 L210 G215 L216	L208-F212 WeakPolarHBondContact O-CB 3.38Å; L208-F212 PolarHBondContact O-N 2.72Å; I209-F212 PolarHBondContact O-N 2.53Å; L210-F212 VanDerWaalsContact C-N 3.32Å; L210-F212 PolarHBondContact O-N 3.2Å; F212-G215 PolarHBondContact O-N 2.98Å; F212-L216 HydrophobicContact CD1-CD1 3.87Å; F212-L216 HydrophobicContact CD1-CG 4.29Å; F212-L216 HydrophobicContact CE1-CD1 3.86Å; F212-L216 HydrophobicContact CE1-CG 4.24Å; F212-L216 WeakPolarHBondContact O-CG 3.35Å; F212-L216 PolarHBondContact O-N 3.41Å
213	A	85	Confident	70	Confident	41 Å²	41	107.1 Å²	107.1	34%	0.339	59%	0.588	S	S	.	*	H	α-helix	trans	-65.4	-43.7	174.7	0	0	0	0	0	112.1	I209 L210 G215 L216 I217	I209-A213 WeakPolarHBondContact O-CB 3.28Å; I209-A213 PolarHBondContact O-N 3.33Å; L210-A213 PolarHBondContact O-N 3.34Å; A213-G215 VanDerWaalsContact C-N 3.29Å; A213-G215 PolarHBondContact O-N 2.95Å; A213-L216 PolarHBondContact O-N 2.81Å; A213-I217 VanDerWaalsContact O-CG1 3.29Å; A213-I217 WeakPolarHBondContact O-CG1 3.29Å; A213-I217 PolarHBondContact O-N 2.93Å
214	L	82.3	Confident	68.6	Low	100 Å²	100	109.9 Å²	109.9	52%	0.524	60%	0.603	S	S	.	*	H	α-helix	trans	-63	-37	171.9	-72.4	168.9	0	0	0	111.4	L210 I217 C218	L210-L214 WeakPolarHBondContact O-CB 3.44Å; L210-L214 VanDerWaalsContact O-CG 3.28Å; L210-L214 WeakPolarHBondContact O-CG 3.44Å; L210-L214 PolarHBondContact O-N 3.44Å; L214-I217 PolarHBondContact O-N 3.35Å; L214-C218 WeakPolarHBondContact O-CB 3.03Å; L214-C218 PolarHBondContact O-N 3.31Å; L214-C218 PolarHBondContact O-SG 3.16Å; L214-C218 VanDerWaalsContact O-SG 3.4Å
215	G	79	Confident	67	Low	43 Å²	43	115 Å²	115	44%	0.443	62%	0.62	S	S	.	*	H	α-helix	trans	-62.5	-38.1	172.7	0	0	0	0	0	113.3	I211 F212 A213 A219	I211-G215 PolarHBondContact O-N 3.01Å; F212-G215 PolarHBondContact O-N 2.98Å; A213-G215 VanDerWaalsContact C-N 3.29Å; A213-G215 PolarHBondContact O-N 2.95Å; G215-A219 VanDerWaalsContact O-CB 3.3Å; G215-A219 WeakPolarHBondContact O-CB 3.3Å; G215-A219 PolarHBondContact O-N 3.14Å
216	L	77.2	Confident	65.2	Low	119 Å²	119	119.6 Å²	119.6	62%	0.623	64%	0.639	S	S	*	*	H	α-helix	trans	-74.4	-32.2	175.5	-73	171.5	0	0	0	113.4	F212 A213	F212-L216 HydrophobicContact CD1-CD1 3.87Å; F212-L216 HydrophobicContact CD1-CG 4.29Å; F212-L216 HydrophobicContact CE1-CD1 3.86Å; F212-L216 HydrophobicContact CE1-CG 4.24Å; F212-L216 WeakPolarHBondContact O-CG 3.35Å; F212-L216 PolarHBondContact O-N 3.41Å; A213-L216 PolarHBondContact O-N 2.81Å
217	I	77.5	Confident	63.3	Low	135 Å²	135	123.5 Å²	123.5	69%	0.692	66%	0.659	S	S	*	*	H	α-helix	trans	-78.8	-37.9	177.5	-66.2	164	0	0	0	111.1	A213 L214	A213-I217 VanDerWaalsContact O-CG1 3.29Å; A213-I217 WeakPolarHBondContact O-CG1 3.29Å; A213-I217 PolarHBondContact O-N 2.93Å; L214-I217 PolarHBondContact O-N 3.35Å
218	C	69.7	Low	61.4	Low	100 Å²	100	127.5 Å²	127.5	68%	0.676	68%	0.678	S	S	*	*	S	Bend	trans	-86.6	-4	176.3	-64	0	0	0	0	113.5	L214 P220	L214-C218 WeakPolarHBondContact O-CB 3.03Å; L214-C218 PolarHBondContact O-N 3.31Å; L214-C218 PolarHBondContact O-SG 3.16Å; L214-C218 VanDerWaalsContact O-SG 3.4Å; C218-P220 WeakPolarHBondContact O-CD 3.4Å
219	A	53.3	Low	59.3	Low	47 Å²	47	129.1 Å²	129.1	39%	0.388	69%	0.687	S	S	.	*	S	Bend	trans	-61.7	121.4	167.4	0	0	0	0	0	108.1	G215 R221	G215-A219 VanDerWaalsContact O-CB 3.3Å; G215-A219 WeakPolarHBondContact O-CB 3.3Å; G215-A219 PolarHBondContact O-N 3.14Å; A219-R221 PolarHBondContact O-N 2.83Å
220	P	45.8	Very low	57.4	Low	114 Å²	114	132.6 Å²	132.6	74%	0.74	70%	0.701	S	S	*	*			trans	-64.1	110.9	-177.5	24.8	-33	0	0	0	109.3	C218 K222	C218-P220 WeakPolarHBondContact O-CD 3.4Å; P220-K222 PolarHBondContact O-N 3.41Å
221	R	41.4	Very low	55.3	Low	253 Å²	253	133.7 Å²	133.7	96%	0.955	71%	0.707	S	S	*	*			trans	-55.8	104.7	170	-74.7	-176.2	174.9	-173	-2.2	108.6	A219	A219-R221 PolarHBondContact O-N 2.83Å
222	K	41.3	Very low	53	Low	181 Å²	181	134.5 Å²	134.5	79%	0.787	71%	0.712	S	S	*	*			trans	-100.2	128.2	163.8	-78.4	-173.6	171.5	-176.6	0	107.9	P220	P220-K222 PolarHBondContact O-N 3.41Å
223	S	31.7	Very low	50.6	Low	112 Å²	112	132.5 Å²	132.5	78%	0.783	72%	0.716	S	S	*	*	S	Bend	trans	49	88.7	171.6	58.9	0	0	0	0	115.7
224	L	36.4	Very low	48.3	Very low	171 Å²	171	139.6 Å²	139.6	90%	0.895	74%	0.742	S	S	*	*			trans	-150.2	46.7	151.3	-130.3	154.6	0	0	0	110
225	D	36.5	Very low	46	Very low	153 Å²	153	143.7 Å²	143.7	82%	0.818	76%	0.758	S	S	*	*			trans	-121.6	134.1	161.2	-67.9	-52.7	0	0	0	104.5
226	E	40.3	Very low	43.7	Very low	193 Å²	193	145 Å²	145	90%	0.902	77%	0.772	S	S	*	*	S	Bend	trans	89.9	74.2	-162.5	-62.5	-174.7	135.6	0	0	115.8
227	L	39.4	Very low	41.7	Very low	178 Å²	178	148.5 Å²	148.5	93%	0.932	79%	0.785	S	S	*	*			trans	-177.6	61.2	141.4	-103.3	155.2	0	0	0	109.9
228	D	39	Very low	39.4	Very low	149 Å²	149	148 Å²	148	80%	0.797	79%	0.792	S	S	*	*	S	Bend	trans	-127.8	140.8	155.6	-113.3	-20.4	0	0	0	106.7
229	D	37.9	Very low	37.5	Very low	144 Å²	144	151.7 Å²	151.7	77%	0.77	80%	0.804	S	S	*	*	S	Bend	trans	64	136	174.9	-56.4	-39.3	0	0	0	119
230	E	41.9	Very low	36.4	Very low	180 Å²	180	157.6 Å²	157.6	84%	0.841	82%	0.821	S	S	*	*			trans	68.5	123.5	171.3	-39.9	-160.9	160.3	0	0	113.8
231	D	39	Very low	35.6	Very low	128 Å²	128	157.8 Å²	157.8	68%	0.684	82%	0.82	S	S	*	*			cis	-158.4	152.2	35.6	-127.5	-18	0	0	0	115.1
232	L	36.3	Very low	35.2	Very low	138 Å²	138	152.9 Å²	152.9	72%	0.723	81%	0.811	S	S	*	*			trans	27.9	111	141.1	-70.4	165.2	0	0	0	121.3
233	S	32.4	Very low	34.8	Very low	103 Å²	103	153.4 Å²	153.4	72%	0.72	81%	0.814	S	S	*	*				42.9	95.4	127.4	63.6	0	0	0	0	119.7
234	Q	36.3	Very low	34.6	Very low	190 Å²	190	152.7 Å²	152.7	89%	0.888	81%	0.809	S	S	*	*			trans	-146.1	90.4	146.4	-156.6	159.4	37.5	0	0	106.9
235	E	32.9	Very low	34.5	Very low	186 Å²	186	149.9 Å²	149.9	87%	0.869	80%	0.801	S	S	*	*				41.2	117.7	83.1	-71.7	-156.8	147.4	0	0	114.2
236	G	32.2	Very low	34.2	Very low	70 Å²	70	150.4 Å²	150.4	72%	0.722	80%	0.8	S	S	*	*			trans	108.9	123.5	154.4	0	0	0	0	0	117.2
237	E	34.1	Very low	33.6	Very low	194 Å²	194	146.8 Å²	146.8	91%	0.907	79%	0.792	S	S	*	*			trans	62	78.5	134.5	-51.1	-169.7	166.9	0	0	119.6
238	C	30	Very low	33.1	Very low	123 Å²	123	143.2 Å²	143.2	83%	0.831	78%	0.782	S	S	*	*				-162	81.1	115.2	-160.7	0	0	0	0	112.8
239	L	28.8	Very low	32.7	Very low	178 Å²	178	141 Å²	141	93%	0.932	78%	0.778	S	S	*	*			trans	-122.7	78.4	161	-119	180	0	0	0	108.8
240	K	30.7	Very low	32.5	Very low	172 Å²	172	140 Å²	140	75%	0.748	78%	0.782	S	S	*	*			trans	-161.2	148	169.1	-124.1	176.1	-175.8	171.9	0	112.3
241	T	29.3	Very low	32.1	Very low	118 Å²	118	136.2 Å²	136.2	72%	0.724	78%	0.782	S	S	*	*			trans	66	138.8	156.6	53	0	0	0	0	117.4
242	I	33.1	Very low	31.9	Very low	149 Å²	149	134 Å²	134	76%	0.764	78%	0.781	S	S	*	*			cis	-153.2	155.3	0.6	-122	158.3	0	0	0	111.2
243	F	32.5	Very low	31.9	Very low	192 Å²	192	133 Å²	133	84%	0.842	79%	0.786	S	S	*	*			trans	-72.4	137.5	167.8	-96.3	-105.9	0	0	0	111.4
244	S	27.4	Very low	32	Very low	97 Å²	97	133.4 Å²	133.4	68%	0.678	79%	0.786	S	S	*	*			trans	70.4	-177.3	153.9	-41.7	0	0	0	0	114.7
245	P	34.3	Very low	31.9	Very low	113 Å²	113	130.1 Å²	130.1	73%	0.734	78%	0.779	S	S	*	*				-129.3	-156.5	-113.1	33.1	-8.5	0	0	0	112.8
246	M	30.1	Very low	31.9	Very low	163 Å²	163	128.7 Å²	128.7	80%	0.803	78%	0.776	S	S	*	*			trans	88.3	125	167.6	-51.3	-176.9	71.4	0	0	116.4
247	T	27.3	Very low	32	Very low	118 Å²	118	130 Å²	130	72%	0.724	77%	0.774	S	S	*	*			trans	22.7	132.8	135.3	66	0	0	0	0	117.4
248	S	30	Very low	32	Very low	102 Å²	102	129.5 Å²	129.5	71%	0.713	77%	0.772	S	S	*	*				179.3	134.5	61.3	49.8	0	0	0	0	107.3
249	S	30.2	Very low	32	Very low	103 Å²	103	128.5 Å²	128.5	72%	0.72	77%	0.767	S	S	*	*				118.9	166.3	76.3	61.9	0	0	0	0	110.7
250	S	33.1	Very low	32.2	Very low	122 Å²	122	125.4 Å²	125.4	85%	0.853	76%	0.76	S	S	*	*			trans	67.9	134.4	-178	77.2	0	0	0	0	115.2
251	A	33.4	Very low	32.2	Very low	101 Å²	101	122.5 Å²	122.5	84%	0.835	76%	0.761	S	S	*	*			cis	-153	161.5	-16.4	0	0	0	0	0	106.5
252	A	36	Very low	32.4	Very low	82 Å²	82	123.1 Å²	123.1	68%	0.678	77%	0.767	S	S	*	*			cis	-146	132.3	11.2	0	0	0	0	0	108.4
253	S	35.4	Very low	32.2	Very low	116 Å²	116	127.4 Å²	127.4	81%	0.811	77%	0.774	S	S	*	*				97.1	145.8	106.7	-72	0	0	0	0	114.9
254	P	34.6	Very low	32	Very low	112 Å²	112	123.5 Å²	123.5	73%	0.727	77%	0.771	S	S	*	*			trans	-134.4	170.5	-138.2	41.1	-24.6	0	0	0	116.2
255	T	34.6	Very low	32.1	Very low	121 Å²	121	126.2 Å²	126.2	74%	0.742	78%	0.776	S	S	*	*			trans	179.6	117.2	138.3	32	0	0	0	0	107.5
256	L	33.8	Very low	31.7	Very low	156 Å²	156	128.9 Å²	128.9	82%	0.817	78%	0.779	S	S	*	*				59.8	120	90.8	-70.9	151.4	0	0	0	111.7
257	S	34	Very low	31.6	Very low	97 Å²	97	126.6 Å²	126.6	68%	0.678	78%	0.779	S	S	*	*			cis	-153.2	166.4	23.8	-48.6	0	0	0	0	113.3
258	E	33	Very low	31.6	Very low	184 Å²	184	128.1 Å²	128.1	86%	0.86	78%	0.781	S	S	*	*			trans	16.5	143.3	141.3	-65.3	169.6	143.4	0	0	120.8
259	S	31.1	Very low	31.4	Very low	102 Å²	102	128 Å²	128	71%	0.713	79%	0.786	S	S	*	*			cis	-165.3	162.7	0.1	52.1	0	0	0	0	111.9
260	S	31.6	Very low	31.1	Very low	113 Å²	113	127.5 Å²	127.5	79%	0.79	79%	0.788	S	S	*	*			trans	47.7	98.4	158.1	59.3	0	0	0	0	121.1
261	S	30.8	Very low	30.8	Very low	112 Å²	112	128.3 Å²	128.3	78%	0.783	79%	0.792	S	S	*	*			trans	-172.2	137.2	134.4	-171.7	0	0	0	0	111
262	P	34.6	Very low	30.4	Very low	131 Å²	131	128.9 Å²	128.9	85%	0.851	79%	0.79	S	S	*	*			trans	-74.9	129.5	179	30.3	-33.7	0	0	0	112.1
263	R	29.4	Very low	30.1	Very low	238 Å²	238	131.8 Å²	131.8	90%	0.898	80%	0.8	S	S	*	*			trans	-117.7	167.7	179	-137.4	-179.2	-172.1	-177.4	3.3	110.7
264	S	28.2	Very low	29.7	Very low	111 Å²	111	129.7 Å²	129.7	78%	0.776	80%	0.796	S	S	*	*			trans	81.1	145.5	178.7	86.1	0	0	0	0	115.1
265	I	28.2	Very low	29.4	Very low	153 Å²	153	131.9 Å²	131.9	79%	0.785	80%	0.802	S	S	*	*			cis	-124.9	127.5	8.6	-61.1	166.7	0	0	0	109.9
266	Q	27.3	Very low	29	Very low	170 Å²	170	135.5 Å²	135.5	79%	0.794	81%	0.807	S	S	*	*			trans	-112.4	120	158.8	-85.4	-179.2	-21.3	0	0	107.5
267	S	27.8	Very low	28.5	Very low	115 Å²	115	134.6 Å²	134.6	80%	0.804	81%	0.808	S	S	*	*			trans	-100.1	101.6	172.6	54.1	0	0	0	0	109.6
268	I	26.7	Very low	28.1	Very low	149 Å²	149	136.7 Å²	136.7	76%	0.764	81%	0.81	S	S	*	*			trans	-89.4	115.9	171.4	-61.2	171.8	0	0	0	107.6
269	A	26.2	Very low	27.6	Very low	101 Å²	101	134.1 Å²	134.1	84%	0.835	81%	0.806	S	S	*	*			trans	-97.6	105.8	167.5	0	0	0	0	0	108.6
270	A	23.1	Very low	27.4	Very low	92 Å²	92	134.1 Å²	134.1	76%	0.76	81%	0.805	S	S	*	*			trans	-97.5	126.7	172.5	0	0	0	0	0	109.7
271	C	26.2	Very low	27.1	Very low	138 Å²	138	133.2 Å²	133.2	93%	0.932	81%	0.805	S	S	*	*			trans	-128.2	126.5	164	-79.5	0	0	0	0	109
272	S	25.4	Very low	26.8	Very low	114 Å²	114	133.2 Å²	133.2	80%	0.797	81%	0.805	S	S	*	*			trans	-93.4	139	-176.3	173.1	0	0	0	0	111.2
273	T	30.2	Very low	26.5	Very low	143 Å²	143	136.2 Å²	136.2	88%	0.877	81%	0.807	S	S	*	*			trans	-171.2	126.7	139	28.1	0	0	0	0	110.6
274	G	28.1	Very low	26.4	Very low	71 Å²	71	130.8 Å²	130.8	73%	0.732	80%	0.796	S	S	*	*	S	Bend	trans	89.2	89.3	152.5	0	0	0	0	0	118.9	K276	G274-K276 PolarHBondContact O-N 2.85Å
275	D	27.2	Very low	26.3	Very low	158 Å²	158	131.6 Å²	131.6	85%	0.845	80%	0.796	S	S	*	*	S	Bend	trans	40.1	66.3	140.2	-59.2	-6.8	0	0	0	119.9
276	K	26.7	Very low	26.2	Very low	197 Å²	197	134.6 Å²	134.6	86%	0.857	80%	0.797	S	S	*	*			trans	-171.1	119.7	134.8	-101.6	146.4	-169.5	171.5	0	111.5	G274	G274-K276 PolarHBondContact O-N 2.85Å
277	V	23.8	Very low	26.1	Very low	137 Å²	137	130.8 Å²	130.8	83%	0.83	79%	0.79	S	S	*	*			trans	-84.6	117.4	172.4	178.9	0	0	0	0	109.1	V279	V277-V279 HydrophobicContact CG1-CG2 4.08Å
278	I	24.9	Very low	26.1	Very low	141 Å²	141	131.5 Å²	131.5	72%	0.723	78%	0.784	S	S	*	*			trans	-122	112.1	163	-60.2	-179.6	0	0	0	107.2
279	V	22	Very low	26.2	Very low	130 Å²	130	128.8 Å²	128.8	79%	0.788	78%	0.778	S	S	*	*			trans	-84	113	171.6	179.6	0	0	0	0	107.7	V277	V277-V279 HydrophobicContact CG1-CG2 4.08Å
280	C	26.3	Very low	26.3	Very low	102 Å²	102	128.7 Å²	128.7	69%	0.689	76%	0.76	S	S	*	*			trans	-120.5	122.2	163.7	-70	0	0	0	0	108.2	S282	C280-S282 PolarHBondContact O-N 2.74Å
281	A	25.7	Very low	26.7	Very low	94 Å²	94	130 Å²	130	78%	0.777	76%	0.761	S	S	*	*			trans	-65.8	132.1	176.7	0	0	0	0	0	109.9
282	S	25.7	Very low	26.7	Very low	112 Å²	112	127 Å²	127	78%	0.783	74%	0.742	S	S	*	*			trans	-106.1	93.5	167.1	-53.5	0	0	0	0	107.5	C280	C280-S282 PolarHBondContact O-N 2.74Å
283	E	27.9	Very low	26.9	Very low	194 Å²	194	129.2 Å²	129.2	91%	0.907	74%	0.743	S	S	*	*			trans	-71.9	134.1	171.8	-85.4	-167.7	139.6	0	0	111.3
284	L	26.9	Very low	26.8	Very low	125 Å²	125	126.4 Å²	126.4	65%	0.654	73%	0.73	S	S	*	*			trans	-50.8	134.2	-173.9	-86.8	65.8	0	0	0	115.2	R286	L284-R286 PolarHBondContact O-N 2.82Å
285	T	25.3	Very low	27	Very low	127 Å²	127	129.2 Å²	129.2	78%	0.779	73%	0.728	S	S	*	*				-26.7	119	124.9	34.6	0	0	0	0	115.8
286	R	27.8	Very low	27	Very low	216 Å²	216	129.2 Å²	129.2	82%	0.815	73%	0.725	S	S	*	*			trans	171.7	125.1	144.3	-95.8	150.7	-178.7	-156.6	-2	107.7	L284	L284-R286 PolarHBondContact O-N 2.82Å
287	S	24.5	Very low	27	Very low	91 Å²	91	125.8 Å²	125.8	64%	0.636	72%	0.72	S	S	*	*				60.4	117.3	52.5	86.8	0	0	0	0	113.9
288	L	27.2	Very low	27.1	Very low	130 Å²	130	129.7 Å²	129.7	68%	0.681	72%	0.72	S	S	*	*			trans	80.7	135.7	172	-73	74.8	0	0	0	119
289	S	29.4	Very low	27.1	Very low	92 Å²	92	128.6 Å²	128.6	64%	0.643	72%	0.72	S	S	*	*			trans	69.7	122.1	155.8	48.5	0	0	0	0	119.8
290	H	28.7	Very low	27.3	Very low	98 Å²	98	128.6 Å²	128.6	45%	0.454	72%	0.72	S	S	.	*	P	Polyproline II helix	trans	-64.5	148.4	171.3	-64.8	-134.7	0	0	0	111.5	D619	H290-D619 VanDerWaalsContact CE1-CB 3.43Å; H290-D619 WeakPolarHBondContact CE1-CB 3.19Å; H290-D619 IonicContact CE1-OD1 2.73Å; H290-D619 PolarHBondContact CE1-OD1 3.26Å; H290-D619 VanDerWaalsContact CE1-OD1 3.22Å; H290-D619 IonicContact CE1-OD2 3.5Å; H290-D619 PolarHBondContact CE1-OD2 3.09Å; H290-D619 IonicContact CG-OD2 2.77Å; H290-D619 IonicContact ND1-OD1 3.82Å; H290-D619 PolarHBondContact ND1-OD1 3.47Å; H290-D619 IonicContact ND1-OD2 3.17Å; H290-D619 PolarHBondContact ND1-OD2 3.19Å
291	P	30.5	Very low	27.3	Very low	119 Å²	119	130.6 Å²	130.6	77%	0.773	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-99.3	127.6	134.6	32.2	-27.1	0	0	0	109.4	L293	P291-L293 PolarHBondContact O-N 2.69Å
292	S	26.5	Very low	27.2	Very low	76 Å²	76	133 Å²	133	53%	0.531	73%	0.728	S	S	.	*	P	Polyproline II helix	trans	-63.2	121.9	176.9	48.9	0	0	0	0	111.8	S294	S292-S294 PolarHBondContact O-N 3.2Å; S292-S294 PolarHBondContact OG-OG 3.13Å
293	L	29.3	Very low	27.3	Very low	160 Å²	160	132.9 Å²	132.9	84%	0.838	72%	0.723	S	S	*	*	S	Bend	trans	-79.5	61.2	167.2	-107.4	162.3	0	0	0	110.7	P291 M296	P291-L293 PolarHBondContact O-N 2.69Å; L293-M296 HydrophobicContact CD2-CB 4.48Å; L293-M296 HydrophobicContact CD2-CE 4.35Å
294	S	28.6	Very low	27.3	Very low	84 Å²	84	131.1 Å²	131.1	59%	0.587	72%	0.72	S	S	*	*			trans	-111.1	16.7	172.9	56.4	0	0	0	0	112.9	S292	S292-S294 PolarHBondContact O-N 3.2Å; S292-S294 PolarHBondContact OG-OG 3.13Å
295	D	31.4	Very low	27.4	Very low	130 Å²	130	134.3 Å²	134.3	70%	0.695	73%	0.731	S	S	*	*			trans	-124.2	22.8	-176.2	-92	-44.8	0	0	0	114
296	M	27.2	Very low	27.7	Very low	159 Å²	159	133.2 Å²	133.2	78%	0.783	73%	0.729	S	S	*	*	S	Bend	trans	-116.4	26.7	168.9	-150.2	-175.8	-65	0	0	113.8	L293	L293-M296 HydrophobicContact CD2-CB 4.48Å; L293-M296 HydrophobicContact CD2-CE 4.35Å
297	V	27.3	Very low	27.9	Very low	125 Å²	125	128.9 Å²	128.9	76%	0.758	72%	0.722	S	S	*	*			trans	-140.9	76.8	162.4	-169.5	0	0	0	0	110.8	T299	V297-T299 HydrophobicContact CG1-CG2 4.42Å
298	R	27	Very low	28.3	Very low	219 Å²	219	132.2 Å²	132.2	83%	0.826	73%	0.725	S	S	*	*			trans	-110.6	106.1	149.4	-90.1	179	168.3	160.7	-2.4	106.1
299	T	24.5	Very low	28.3	Very low	117 Å²	117	132.7 Å²	132.7	72%	0.718	72%	0.724	S	S	*	*				47.5	78.8	66	62.7	0	0	0	0	115.7	V297	V297-T299 HydrophobicContact CG1-CG2 4.42Å
300	T	26.5	Very low	28.3	Very low	130 Å²	130	136.1 Å²	136.1	80%	0.798	73%	0.727	S	S	*	*			trans	-167.9	140.8	144.7	31.6	0	0	0	0	106.2
301	L	25.8	Very low	28.2	Very low	144 Å²	144	136.2 Å²	136.2	75%	0.754	74%	0.738	S	S	*	*			cis	-175.1	130.1	-14.6	-161.3	87.3	0	0	0	102.1	T303	L301-T303 PolarHBondContact O-N 2.8Å
302	V	23.1	Very low	27.8	Very low	145 Å²	145	135.5 Å²	135.5	88%	0.879	74%	0.735	S	S	*	*			trans	-84.2	110.7	175	172.8	0	0	0	0	108.7
303	T	28.8	Very low	27.7	Very low	110 Å²	110	139.1 Å²	139.1	68%	0.675	75%	0.748	S	S	*	*			trans	-159.4	106.4	162.4	42.1	0	0	0	0	113	L301	L301-T303 PolarHBondContact O-N 2.8Å
304	N	25.8	Very low	27.5	Very low	156 Å²	156	138.2 Å²	138.2	83%	0.834	74%	0.743	S	S	*	*			trans	48.5	160.5	134.9	-78.8	-11.7	0	0	0	124.9
305	E	29.7	Very low	27.2	Very low	193 Å²	193	139.1 Å²	139.1	90%	0.902	75%	0.749	S	S	*	*			trans	78.8	127.9	174.4	-55.4	-165.6	151.2	0	0	115.6
306	S	31.5	Very low	26.9	Very low	103 Å²	103	137.3 Å²	137.3	72%	0.72	75%	0.747	S	S	*	*			cis	-158.3	165.5	-0.8	50	0	0	0	0	112.1
307	D	31.7	Very low	26.8	Very low	126 Å²	126	136.7 Å²	136.7	67%	0.674	75%	0.747	S	S	*	*			trans	65.1	135.2	168.1	-74.5	-5.6	0	0	0	118.8
308	K	33.1	Very low	26.9	Very low	160 Å²	160	135.8 Å²	135.8	70%	0.696	74%	0.741	S	S	*	*			cis	-156.7	132.6	12	-120.1	157.1	-171.5	129.2	0	113.6
309	Q	27.5	Very low	26.9	Very low	141 Å²	141	131.9 Å²	131.9	66%	0.659	74%	0.737	S	S	*	*			trans	68.2	125.9	141	-75.9	-172.7	15.1	0	0	124.1
310	K	29.3	Very low	27.2	Very low	163 Å²	163	131.1 Å²	131.1	71%	0.709	73%	0.732	S	S	*	*			trans	83	99.8	137.8	-72.5	167.7	-179	160.4	0	117.6
311	S	26.3	Very low	27.4	Very low	100 Å²	100	132.1 Å²	132.1	70%	0.699	73%	0.728	S	S	*	*				78.8	137.4	74.4	71.3	0	0	0	0	112.9
312	C	22.8	Very low	27.5	Very low	104 Å²	104	132.8 Å²	132.8	70%	0.703	73%	0.727	S	S	*	*			cis	-170.4	152.5	2	-116	0	0	0	0	108.6
313	L	25.5	Very low	27.9	Very low	153 Å²	153	132.7 Å²	132.7	80%	0.801	72%	0.722	S	S	*	*			trans	59.3	161.8	145.4	-60.9	168.8	0	0	0	118.8
314	L	23.6	Very low	27.9	Very low	140 Å²	140	131.1 Å²	131.1	73%	0.733	72%	0.72	S	S	*	*			cis	-175.4	140	-31	-174.5	89.3	0	0	0	105.8
315	S	23.1	Very low	28.1	Very low	103 Å²	103	131.1 Å²	131.1	72%	0.72	72%	0.72	S	S	*	*			trans	62.1	165.7	163.4	-67.2	0	0	0	0	117.9
316	S	24.4	Very low	28.1	Very low	93 Å²	93	128 Å²	128	65%	0.65	72%	0.719	S	S	*	*			cis	-162.6	158.4	-36.8	58.3	0	0	0	0	108.7
317	N	26	Very low	28	Very low	145 Å²	145	132.3 Å²	132.3	78%	0.775	73%	0.725	S	S	*	*			trans	66.6	128.8	142.6	-83	8.8	0	0	0	122.6
318	V	28.2	Very low	27.8	Very low	106 Å²	106	130.9 Å²	130.9	64%	0.642	72%	0.724	S	S	*	*				101.5	117.1	119.2	159	0	0	0	0	119.1
319	N	27.4	Very low	27.5	Very low	137 Å²	137	131 Å²	131	73%	0.733	73%	0.732	S	S	*	*			trans	74.4	147.6	149.3	-65.5	7.4	0	0	0	118.4
320	T	30.9	Very low	27.4	Very low	101 Å²	101	132.5 Å²	132.5	62%	0.62	74%	0.739	S	S	*	*			cis	-154.3	166.6	4.2	-5.3	0	0	0	0	112.5
321	E	30.1	Very low	27.3	Very low	151 Å²	151	131.3 Å²	131.3	71%	0.706	74%	0.736	S	S	*	*			trans	71.7	122.5	142.9	-77.6	151.3	-177.3	0	0	123.1
322	Q	28.5	Very low	27.4	Very low	159 Å²	159	134.1 Å²	134.1	74%	0.743	74%	0.735	S	S	*	*			trans	66.7	141.5	136.4	-68.1	171.4	-50.8	0	0	119.5
323	D	31.6	Very low	27.5	Very low	142 Å²	142	134.4 Å²	134.4	76%	0.759	74%	0.739	S	S	*	*			cis	-149.1	-177.8	4.7	-125.6	-34	0	0	0	112.5
324	A	29.1	Very low	27.7	Very low	78 Å²	78	136.4 Å²	136.4	65%	0.645	74%	0.741	S	S	*	*			trans	-81.1	179.1	-162.2	0	0	0	0	0	118.4
325	D	29.6	Very low	27.8	Very low	156 Å²	156	138.6 Å²	138.6	83%	0.834	74%	0.744	S	S	*	*			trans	77.3	94.2	160.7	-59.6	-20.3	0	0	0	120.7
326	S	29.7	Very low	28	Very low	126 Å²	126	144 Å²	144	88%	0.881	75%	0.751	S	S	*	*				-172.8	157.2	105.8	49	0	0	0	0	113.9
327	F	29.1	Very low	28.1	Very low	194 Å²	194	149 Å²	149	85%	0.851	76%	0.757	S	S	*	*			trans	-83.6	145.1	-166.3	-111.7	-124.4	0	0	0	114.9
328	C	27.6	Very low	28.1	Very low	97 Å²	97	147.8 Å²	147.8	66%	0.655	76%	0.756	S	S	*	*			trans	44.7	142.1	138.5	-65.9	0	0	0	0	122.5
329	L	28	Very low	28.1	Very low	163 Å²	163	151.5 Å²	151.5	85%	0.853	77%	0.767	S	S	*	*			cis	-166.6	114.3	-22.8	-128.6	174	0	0	0	105.5
330	Q	25.7	Very low	28	Very low	171 Å²	171	149.7 Å²	149.7	80%	0.799	77%	0.765	S	S	*	*			trans	-137.7	130.7	178.5	-164.6	-177.5	57	0	0	110.6
331	Q	25.6	Very low	27.8	Very low	138 Å²	138	151.4 Å²	151.4	65%	0.645	78%	0.779	S	S	*	*			trans	67.7	156.4	162.7	-86.4	-176.7	15.2	0	0	120.4
332	K	28.2	Very low	27.6	Very low	160 Å²	160	152.5 Å²	152.5	70%	0.696	78%	0.784	S	S	*	*			trans	75	96.6	148.4	-77.7	157.5	178.9	154.8	0	119.1
333	S	26.6	Very low	27.4	Very low	110 Å²	110	152.5 Å²	152.5	77%	0.769	78%	0.784	S	S	*	*				42	97.1	119.6	63.2	0	0	0	0	117.2
334	K	29	Very low	27.3	Very low	195 Å²	195	154.5 Å²	154.5	85%	0.848	79%	0.794	S	S	*	*			trans	-108.4	115.4	154.7	-79.9	-173.5	174.6	179.7	0	110.3
335	K	26.4	Very low	27.2	Very low	185 Å²	185	157.2 Å²	157.2	80%	0.804	80%	0.797	S	S	*	*			trans	-54.3	135.9	154.7	-68.6	172.1	174	175.2	0	107.8
336	Y	25.9	Very low	27.1	Very low	218 Å²	218	155.9 Å²	155.9	86%	0.855	79%	0.789	S	S	*	*			trans	-122	120.1	154.7	-115.2	-87	0	0	0	107.2
337	Y	26.2	Very low	27.1	Very low	198 Å²	198	157.4 Å²	157.4	78%	0.776	79%	0.788	S	S	*	*			trans	-82.5	147.8	168.8	-96.4	-97.6	0	0	0	108.9
338	P	26.5	Very low	27.2	Very low	118 Å²	118	154.4 Å²	154.4	77%	0.766	78%	0.781	S	S	*	*			trans	-87.6	136.7	177	34.2	-31.3	0	0	0	110.6
339	E	29.1	Very low	27.4	Very low	185 Å²	185	156.9 Å²	156.9	86%	0.864	79%	0.787	S	S	*	*			trans	-142.8	118.9	162.8	-119.7	170.6	-161.2	0	0	111.6
340	S	25.6	Very low	27.4	Very low	98 Å²	98	153.3 Å²	153.3	69%	0.685	78%	0.776	S	S	*	*			trans	16.7	127.1	149.5	56.4	0	0	0	0	120.7
341	C	25.3	Very low	27.6	Very low	137 Å²	137	152 Å²	152	93%	0.926	77%	0.773	S	S	*	*			trans	-138.3	102.5	133.3	-93.8	0	0	0	0	109.2
342	E	26.5	Very low	27.9	Very low	174 Å²	174	151.5 Å²	151.5	81%	0.813	78%	0.775	S	S	*	*			trans	-76	157.1	165.1	-73.7	-174.1	133.6	0	0	111.1
343	H	25.2	Very low	28	Very low	160 Å²	160	149.7 Å²	149.7	74%	0.741	77%	0.773	S	S	*	*			trans	27.9	108.2	148.8	-73.8	-80.6	0	0	0	119.7
344	L	28.6	Very low	28.2	Very low	183 Å²	183	152.4 Å²	152.4	96%	0.958	77%	0.773	S	S	*	*			trans	-131.5	121.8	135.6	-92.9	174	0	0	0	110.8
345	L	26.8	Very low	28.4	Very low	135 Å²	135	149.5 Å²	149.5	71%	0.707	77%	0.767	S	S	*	*			trans	-85.3	161.5	172.8	-98.9	148.9	0	0	0	110.6
346	N	26.7	Very low	28.5	Very low	128 Å²	128	149.1 Å²	149.1	68%	0.684	77%	0.765	S	S	*	*			trans	67.3	116.9	165.8	-59.1	-2.7	0	0	0	117.8
347	N	31.2	Very low	28.8	Very low	159 Å²	159	149.3 Å²	149.3	85%	0.85	76%	0.764	S	S	*	*				-157.9	151.7	96.9	-103.5	-15.6	0	0	0	112.8
348	D	29.8	Very low	29	Very low	130 Å²	130	146.6 Å²	146.6	70%	0.695	76%	0.763	S	S	*	*			trans	-71.1	157	-174.8	-59.1	-80.8	0	0	0	114.6
349	N	32.6	Very low	29.3	Very low	149 Å²	149	151.5 Å²	151.5	80%	0.797	77%	0.773	S	S	*	*				160.7	98.2	124.8	-81.1	-41.9	0	0	0	108.8
350	S	27.4	Very low	29.5	Very low	89 Å²	89	147.7 Å²	147.7	62%	0.622	76%	0.763	S	S	*	*				90	150	77.1	75.2	0	0	0	0	113.9
351	I	31.2	Very low	29.8	Very low	142 Å²	142	151.2 Å²	151.2	73%	0.728	77%	0.768	S	S	*	*			trans	96.7	96.1	157.3	-61.9	164.6	0	0	0	117.9
352	N	32.2	Very low	30.1	Very low	128 Å²	128	152.7 Å²	152.7	68%	0.684	77%	0.767	S	S	*	*				82.6	104.1	129.3	-67.9	1.8	0	0	0	123.7
353	N	30	Very low	30.2	Very low	123 Å²	123	147.6 Å²	147.6	66%	0.658	76%	0.761	S	S	*	*				72.5	131.6	109	-70.2	-14.7	0	0	0	123
354	H	29.4	Very low	30.4	Very low	166 Å²	166	146.2 Å²	146.2	77%	0.769	77%	0.769	S	S	*	*			trans	58.4	122.2	145.8	-66.2	-59	0	0	0	117.4
355	D	33.3	Very low	30.3	Very low	135 Å²	135	140.6 Å²	140.6	72%	0.722	76%	0.756	S	S	*	*				-148.9	156	74.2	-145.7	-8.2	0	0	0	115.4	R357	D355-R357 IonicContact OD2-NH2 3.86Å
356	K	29.7	Very low	30.2	Very low	176 Å²	176	139.6 Å²	139.6	77%	0.765	76%	0.76	S	S	*	*			trans	-103.7	132.6	170.4	-80.8	179	175.5	177.1	0	109.1
357	R	31.9	Very low	30.3	Very low	223 Å²	223	142.1 Å²	142.1	84%	0.842	77%	0.765	S	S	*	*			trans	-154.6	134.9	147.2	-125.9	164.7	-81	-169.6	-0.3	112.9	D355	D355-R357 IonicContact OD2-NH2 3.86Å
358	N	29.6	Very low	30	Very low	141 Å²	141	144 Å²	144	75%	0.754	77%	0.766	S	S	*	*			trans	-77.9	147.6	-174.9	-53.9	-26.5	0	0	0	110.8
359	F	32.8	Very low	29.8	Very low	220 Å²	220	145.2 Å²	145.2	97%	0.965	77%	0.765	S	S	*	*			trans	-131.4	133.6	141.4	-105.7	-87.6	0	0	0	108.4
360	T	33.1	Very low	29.4	Very low	106 Å²	106	145.8 Å²	145.8	65%	0.65	77%	0.768	S	S	*	*			trans	-100.6	153.1	-172.8	4.1	0	0	0	0	111
361	E	32.8	Very low	29.4	Very low	172 Å²	172	148.4 Å²	148.4	80%	0.804	77%	0.771	S	S	*	*			trans	63.5	129.8	157.4	-63.4	160.9	153.7	0	0	115.2
362	D	32	Very low	29	Very low	167 Å²	167	148 Å²	148	89%	0.893	78%	0.775	S	S	*	*			cis	-122.5	166.5	13.3	-63.9	-57.8	0	0	0	109.7
363	G	28.1	Very low	28.7	Very low	67 Å²	67	149.6 Å²	149.6	69%	0.691	78%	0.782	S	S	*	*			cis	141.5	130.6	19.8	0	0	0	0	0	107.2
364	S	29.1	Very low	28.5	Very low	131 Å²	131	152.2 Å²	152.2	92%	0.916	79%	0.788	S	S	*	*			trans	67.5	129.1	-164.4	-166.4	0	0	0	0	114.2
365	G	27.7	Very low	28.4	Very low	66 Å²	66	150.4 Å²	150.4	68%	0.68	79%	0.791	S	S	*	*			cis	142	100.8	10.6	0	0	0	0	0	108.5
366	S	24.7	Very low	28.1	Very low	113 Å²	113	150.6 Å²	150.6	79%	0.79	80%	0.797	S	S	*	*			trans	-57.8	135.3	-175.6	56.3	0	0	0	0	113.1
367	K	27.5	Very low	28	Very low	181 Å²	181	151.2 Å²	151.2	79%	0.787	80%	0.8	S	S	*	*			trans	-160.1	120.5	145.1	-109.6	155.9	-169.6	178.3	0	112	F369	K367-F369 HydrophobicContact CB-CE2 4.4Å; K367-F369 PolarHBondContact O-N 2.93Å
368	F	24.5	Very low	27.8	Very low	200 Å²	200	146.6 Å²	146.6	88%	0.877	80%	0.802	S	S	*	*			trans	-56	130.5	160.8	-73.7	-106.7	0	0	0	109.5
369	F	26.5	Very low	27.5	Very low	154 Å²	154	150.7 Å²	150.7	68%	0.675	81%	0.807	S	S	*	*			trans	-113	81.4	164.4	-93.7	-86.5	0	0	0	110.2	K367 E371	K367-F369 HydrophobicContact CB-CE2 4.4Å; K367-F369 PolarHBondContact O-N 2.93Å; F369-E371 VanDerWaalsContact C-N 3.26Å; F369-E371 HydrophobicContact CD1-CB 4.17Å; F369-E371 HydrophobicContact CD1-CG 3.89Å; F369-E371 HydrophobicContact CE1-CG 4.21Å; F369-E371 WeakPolarHBondContact CE1-OE2 3.45Å; F369-E371 PolarHBondContact O-N 3.41Å
370	N	24.5	Very low	27	Very low	161 Å²	161	144.8 Å²	144.8	86%	0.861	80%	0.799	S	S	*	*			trans	-80.2	80.9	149	-89.5	-25.7	0	0	0	107.4
371	E	26.1	Very low	26.5	Very low	144 Å²	144	144.5 Å²	144.5	67%	0.673	80%	0.796	S	S	*	*			trans	-108.5	109	164.9	-91.2	-164.8	140.2	0	0	110.9	F369 L373	F369-E371 VanDerWaalsContact C-N 3.26Å; F369-E371 HydrophobicContact CD1-CB 4.17Å; F369-E371 HydrophobicContact CD1-CG 3.89Å; F369-E371 HydrophobicContact CE1-CG 4.21Å; F369-E371 WeakPolarHBondContact CE1-OE2 3.45Å; F369-E371 PolarHBondContact O-N 3.41Å; E371-L373 PolarHBondContact O-N 2.76Å
372	V	24.5	Very low	26	Very low	134 Å²	134	142.7 Å²	142.7	81%	0.812	80%	0.797	S	S	*	*			trans	-69.1	96.4	167.6	177.3	0	0	0	0	107.9	K374	V372-K374 PolarHBondContact O-N 3.14Å; V372-K374 VanDerWaalsContact O-N 3.09Å
373	L	25.7	Very low	25.6	Very low	162 Å²	162	142.7 Å²	142.7	85%	0.848	79%	0.79	S	S	*	*			trans	-63.5	108.5	170.7	-82.8	163.3	0	0	0	109.3	E371	E371-L373 PolarHBondContact O-N 2.76Å
374	K	25.4	Very low	25.3	Very low	178 Å²	178	148.5 Å²	148.5	77%	0.774	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-73.6	136.3	172.2	-69.2	175.7	178.3	173.5	0	109.3	V372 T376	V372-K374 PolarHBondContact O-N 3.14Å; V372-K374 VanDerWaalsContact O-N 3.09Å; K374-T376 PolarHBondContact O-N 2.95Å
375	P	27.1	Very low	25.2	Very low	128 Å²	128	149.6 Å²	149.6	83%	0.831	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-63.5	123.1	176	25.5	-33	0	0	0	110.5
376	T	27.8	Very low	25.2	Very low	139 Å²	139	152.2 Å²	152.2	85%	0.853	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-73.5	133	174	34.2	0	0	0	0	110.8	K374 S378	K374-T376 PolarHBondContact O-N 2.95Å; T376-S378 PolarHBondContact O-N 3.37Å
377	K	27.5	Very low	25.3	Very low	188 Å²	188	149.7 Å²	149.7	82%	0.817	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-56.4	134.6	-177.7	-64.3	-178.7	176.7	-175	0	112.2
378	S	26.4	Very low	25.3	Very low	127 Å²	127	146.3 Å²	146.3	89%	0.888	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-56.9	140.2	169.7	44.5	0	0	0	0	111.4	T376	T376-S378 PolarHBondContact O-N 3.37Å
379	R	22.8	Very low	25.7	Very low	226 Å²	226	146.4 Å²	146.4	85%	0.853	80%	0.797	S	S	*	*			trans	-110.5	109.5	-174.9	-174.1	-178.5	-173.9	-175.9	1.2	108.6	V381	R379-V381 PolarHBondContact O-N 3.22Å
380	A	22.5	Very low	25.9	Very low	97 Å²	97	147.3 Å²	147.3	80%	0.802	80%	0.803	S	S	*	*			trans	-61.2	119.9	173.7	0	0	0	0	0	110.1
381	V	23.5	Very low	26.1	Very low	99 Å²	99	149 Å²	149	60%	0.6	81%	0.806	S	S	*	*			trans	-100.2	115.8	172.5	178	0	0	0	0	107.8	R379 F383	R379-V381 PolarHBondContact O-N 3.22Å; V381-F383 HydrophobicContact CG1-CD2 4.45Å; V381-F383 HydrophobicContact CG1-CE1 4.33Å; V381-F383 HydrophobicContact CG1-CE2 4.07Å; V381-F383 HydrophobicContact CG1-CZ 4.01Å
382	T	21.6	Very low	26.3	Very low	134 Å²	134	150.7 Å²	150.7	82%	0.822	81%	0.811	S	S	*	*			trans	-93.6	113.3	174	-41.4	0	0	0	0	108.8
383	F	24	Very low	26.5	Very low	168 Å²	168	150.2 Å²	150.2	74%	0.737	81%	0.81	S	S	*	*			trans	-78	123.4	172.4	-67.1	-82.4	0	0	0	109.9	V381	V381-F383 HydrophobicContact CG1-CD2 4.45Å; V381-F383 HydrophobicContact CG1-CE1 4.33Å; V381-F383 HydrophobicContact CG1-CE2 4.07Å; V381-F383 HydrophobicContact CG1-CZ 4.01Å
384	Q	22.3	Very low	26.8	Very low	188 Å²	188	148.5 Å²	148.5	88%	0.879	81%	0.806	S	S	*	*			trans	-96.1	111.6	174.8	-155.5	164.4	29.1	0	0	107.2
385	L	25.6	Very low	27	Very low	155 Å²	155	147.2 Å²	147.2	81%	0.812	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-62.3	139	177	-78.7	95.9	0	0	0	109.8	G387	L385-G387 PolarHBondContact O-N 2.92Å
386	P	29	Very low	27.2	Very low	120 Å²	120	148.3 Å²	148.3	78%	0.779	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-58.2	134.5	173.2	-22	33.1	0	0	0	110.8
387	G	27.2	Very low	27.3	Very low	60 Å²	60	146 Å²	146	62%	0.619	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-63.8	162.2	173.8	0	0	0	0	0	112.3	L385 F389	L385-G387 PolarHBondContact O-N 2.92Å; G387-F389 PolarHBondContact O-N 2.87Å
388	A	26.9	Very low	27.6	Very low	110 Å²	110	145 Å²	145	91%	0.909	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-51.3	130.5	-178.3	0	0	0	0	0	112.5
389	F	31.9	Very low	28	Very low	202 Å²	202	146.9 Å²	146.9	89%	0.886	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-98.3	136.6	165	-97.2	-90.2	0	0	0	109.8	G387	G387-F389 PolarHBondContact O-N 2.87Å
390	E	31.8	Very low	28.6	Very low	174 Å²	174	143.9 Å²	143.9	81%	0.813	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-68	140.4	-175.8	-58.6	169.6	129.3	0	0	112	K392	E390-K392 PolarHBondContact O-N 3.46Å
391	E	28	Very low	29	Very low	195 Å²	195	145.7 Å²	145.7	91%	0.911	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-68	124.2	161.7	-76.5	-176.4	130.3	0	0	109.7
392	K	30.4	Very low	29.6	Very low	181 Å²	181	152.1 Å²	152.1	79%	0.787	80%	0.803	S	S	*	*			trans	-108	121.2	159.4	-86.6	-174.8	175.4	178.6	0	109.1	E390 V394	E390-K392 PolarHBondContact O-N 3.46Å; K392-V394 PolarHBondContact O-N 3.4Å
393	P	29.6	Very low	30.1	Very low	123 Å²	123	152.5 Å²	152.5	80%	0.799	80%	0.801	S	S	*	*			trans	-74.6	126.7	170.2	30.8	-31.6	0	0	0	109.2
394	V	31.3	Very low	30.7	Very low	126 Å²	126	150.6 Å²	150.6	76%	0.764	81%	0.808	S	S	*	*			trans	-109.5	105.2	165	179.9	0	0	0	0	106.9	K392	K392-V394 PolarHBondContact O-N 3.4Å
395	I	28.8	Very low	31.3	Very low	152 Å²	152	150.8 Å²	150.8	78%	0.779	81%	0.809	S	S	*	*			trans	-80.8	123.2	158	-61.2	168.9	0	0	0	104.7
396	D	32.2	Very low	31.7	Very low	150 Å²	150	148.1 Å²	148.1	80%	0.802	80%	0.804	S	S	*	*			trans	-137.3	131.8	155.7	-134.1	-17.3	0	0	0	109
397	S	29.4	Very low	32	Very low	91 Å²	91	151.3 Å²	151.3	64%	0.636	81%	0.805	S	S	*	*			trans	-121.6	119.7	-172.4	53.1	0	0	0	0	107.7
398	D	34.4	Very low	32.3	Very low	166 Å²	166	155.4 Å²	155.4	89%	0.888	81%	0.811	S	S	*	*			trans	-142.7	141.8	162	-110.4	-32.3	0	0	0	112.3
399	H	34.7	Very low	32.7	Very low	168 Å²	168	159 Å²	159	78%	0.778	81%	0.806	S	S	*	*			trans	-76.2	148.5	177.8	-77.8	-81.1	0	0	0	110.5
400	D	35.5	Very low	32.8	Very low	162 Å²	162	155.7 Å²	155.7	87%	0.866	80%	0.803	S	S	*	*				-153.8	148.1	118.5	-125.4	-27	0	0	0	113.9
401	N	31.7	Very low	33.1	Very low	136 Å²	136	154.8 Å²	154.8	73%	0.727	80%	0.804	S	S	*	*			trans	-84.5	142.9	-177.1	-75.8	-57.1	0	0	0	112
402	R	34.6	Very low	33.4	Very low	233 Å²	233	154.7 Å²	154.7	88%	0.879	80%	0.8	S	S	*	*				-166.9	109.2	129.9	-110.9	165.5	-178.5	172.4	2.6	114.4
403	D	33.3	Very low	33.6	Very low	143 Å²	143	153.6 Å²	153.6	77%	0.765	80%	0.801	S	S	*	*			trans	18.6	119.3	140.6	-50	-43.9	0	0	0	119.7
404	S	36.5	Very low	33.9	Very low	128 Å²	128	156.3 Å²	156.3	90%	0.895	80%	0.803	S	S	*	*			trans	-154.7	115.6	131.5	-80.9	0	0	0	0	109.7
405	E	34.4	Very low	34.1	Very low	191 Å²	191	159.3 Å²	159.3	89%	0.893	81%	0.809	S	S	*	*			trans	-66	140.8	-178.6	-55.6	174.5	113.5	0	0	111.8
406	S	34.9	Very low	34.4	Very low	100 Å²	100	160.5 Å²	160.5	70%	0.699	81%	0.811	S	S	*	*				167.6	139	99.5	54.3	0	0	0	0	115.7
407	K	34.3	Very low	34.4	Very low	186 Å²	186	161.1 Å²	161.1	81%	0.809	81%	0.813	S	S	*	*			trans	62.5	97.8	137.8	-75.6	174.9	-178	170.2	0	120.3
408	I	34.2	Very low	34.8	Very low	146 Å²	146	164.4 Å²	164.4	75%	0.749	82%	0.823	S	S	*	*				156.5	116.7	94.9	-83.9	152.3	0	0	0	114.4
409	K	35.5	Very low	34.9	Very low	186 Å²	186	164.6 Å²	164.6	81%	0.809	82%	0.818	S	S	*	*			trans	47.1	102.5	144	-60.5	-177.8	176.8	-179.8	0	122.1
410	T	32.6	Very low	34.8	Very low	132 Å²	132	165.3 Å²	165.3	81%	0.81	82%	0.822	S	S	*	*			trans	-13.1	135.2	133.3	52.7	0	0	0	0	120
411	N	37.8	Very low	34.6	Very low	156 Å²	156	165.9 Å²	165.9	83%	0.834	82%	0.819	S	S	*	*			trans	-161.8	153.8	137.6	-95.7	-26.2	0	0	0	106.9
412	K	36.1	Very low	34.7	Very low	193 Å²	193	168.3 Å²	168.3	84%	0.839	83%	0.826	S	S	*	*			cis	-166	139.1	-31.2	-163.9	176.5	-177	-175.9	0	106.3
413	I	33.9	Very low	34.6	Very low	158 Å²	158	161.6 Å²	161.6	81%	0.81	82%	0.82	S	S	*	*			trans	-56.1	131.8	-173.7	-62.6	152.3	0	0	0	113.9
414	H	35.3	Very low	34.5	Very low	180 Å²	180	163.8 Å²	163.8	83%	0.833	83%	0.826	S	S	*	*			trans	-160	160.8	148.8	-124.6	50.7	0	0	0	113
415	E	36.3	Very low	34.3	Very low	189 Å²	189	166.3 Å²	166.3	88%	0.883	82%	0.824	S	S	*	*			trans	75.3	59.3	179.3	-57.1	-168.6	157.8	0	0	117.4
416	E	33.9	Very low	34.3	Very low	176 Å²	176	164.9 Å²	164.9	82%	0.822	82%	0.822	S	S	*	*			trans	-72.3	166.5	133.3	-75.4	179.5	116.1	0	0	110.4
417	L	33.4	Very low	34	Very low	164 Å²	164	165.2 Å²	165.2	86%	0.859	83%	0.825	S	S	*	*			trans	75.2	90.2	170.6	-65.7	142.4	0	0	0	117.7
418	L	37.1	Very low	33.9	Very low	159 Å²	159	160.7 Å²	160.7	83%	0.832	82%	0.816	S	S	*	*				-172.9	146.4	120.6	-99.6	153.4	0	0	0	112
419	H	37.2	Very low	33.7	Very low	170 Å²	170	161 Å²	161	79%	0.787	82%	0.819	S	S	*	*			trans	72.3	74	175.9	-65.2	-68.2	0	0	0	119.4
420	Q	32.2	Very low	33.5	Very low	183 Å²	183	160.7 Å²	160.7	86%	0.855	83%	0.825	S	S	*	*			trans	-91.8	160.2	140.8	-164.3	175.7	47.2	0	0	108.3
421	Q	32.4	Very low	33.4	Very low	175 Å²	175	158.7 Å²	158.7	82%	0.818	82%	0.816	S	S	*	*			trans	71.8	130.1	-166.8	-54.7	-180	-53.7	0	0	112.8
422	E	32.7	Very low	32.9	Very low	187 Å²	187	162.3 Å²	162.3	87%	0.874	82%	0.818	S	S	*	*			cis	-131.8	168.9	-0.9	-58.8	-169.9	93.2	0	0	109.3
423	A	32.5	Very low	32.6	Very low	91 Å²	91	162.6 Å²	162.6	75%	0.752	82%	0.823	S	S	*	*			cis	-145.9	166.4	5.6	0	0	0	0	0	111.6
424	Q	30.8	Very low	32.2	Very low	189 Å²	189	160.6 Å²	160.6	88%	0.883	82%	0.822	S	S	*	*			trans	-116.1	120.1	152.1	-74.1	175.3	-43.4	0	0	107.4
425	Q	33.2	Very low	31.9	Very low	182 Å²	182	161.7 Å²	161.7	85%	0.85	83%	0.825	S	S	*	*			trans	175.7	104.1	151.1	-103.2	165	20.1	0	0	111
426	N	33.4	Very low	31.4	Very low	161 Å²	161	158.2 Å²	158.2	86%	0.861	82%	0.822	S	S	*	*				177.5	114.8	115.9	-88.8	-22.2	0	0	0	109.9
427	S	29.9	Very low	31.3	Very low	107 Å²	107	158 Å²	158	75%	0.748	82%	0.824	S	S	*	*			trans	-96.4	170.5	-178.3	52.7	0	0	0	0	111.7
428	S	32	Very low	31.1	Very low	91 Å²	91	158.9 Å²	158.9	64%	0.636	82%	0.821	S	S	*	*			trans	78.3	115.6	150.8	70	0	0	0	0	120
429	N	30	Very low	30.7	Very low	151 Å²	151	156.1 Å²	156.1	81%	0.807	82%	0.815	S	S	*	*				54.4	120.1	127.2	-55.6	-18.6	0	0	0	120
430	I	31.5	Very low	30.4	Very low	181 Å²	181	153 Å²	153	93%	0.928	80%	0.804	S	S	*	*				-158.3	153.2	120.1	-99.4	147.7	0	0	0	110.4
431	S	29.6	Very low	30.1	Very low	90 Å²	90	151.6 Å²	151.6	63%	0.629	80%	0.803	S	S	*	*			trans	-97.3	160	-161.2	64.2	0	0	0	0	115.5
432	R	26.8	Very low	29.9	Very low	232 Å²	232	152.8 Å²	152.8	88%	0.875	80%	0.799	S	S	*	*			trans	50.9	114.6	146.1	-69.3	176	174.7	-172.1	-1.1	117.5
433	Q	30	Very low	29.5	Very low	199 Å²	199	148.4 Å²	148.4	93%	0.93	80%	0.796	S	S	*	*				-165.8	142.2	110.2	-106.5	174.9	28.2	0	0	112.1
434	S	25.9	Very low	29.2	Very low	115 Å²	115	151.5 Å²	151.5	80%	0.804	80%	0.798	S	S	*	*			trans	-81.7	133.9	179.4	51.7	0	0	0	0	112.4
435	K	29.7	Very low	29	Very low	203 Å²	203	147.4 Å²	147.4	88%	0.883	79%	0.787	S	S	*	*			trans	-148.1	137.2	151	-114.7	169.6	-174.4	174.3	0	110.9
436	S	26.1	Very low	28.7	Very low	117 Å²	117	143.7 Å²	143.7	82%	0.818	79%	0.788	S	S	*	*			trans	-67	135.5	-176.1	54.4	0	0	0	0	112.6
437	I	31.5	Very low	28.2	Very low	170 Å²	170	141.2 Å²	141.2	87%	0.872	78%	0.782	S	S	*	*			trans	-122.1	132.3	159.1	-61.4	-178.5	0	0	0	107.6
438	K	29.3	Very low	28	Very low	184 Å²	184	145.7 Å²	145.7	80%	0.8	79%	0.788	S	S	*	*			trans	-68.8	149.1	-171.4	-71.6	170.3	174.6	175.6	0	111.8	D440	K438-D440 PolarHBondContact O-N 2.86Å; K438-D440 VanDerWaalsContact O-N 3.17Å
439	S	29.1	Very low	27.6	Very low	100 Å²	100	150.7 Å²	150.7	70%	0.699	80%	0.802	S	S	*	*			trans	-68.2	101.9	161.4	53.3	0	0	0	0	109.9	N441	S439-N441 VanDerWaalsContact C-N 3.34Å; S439-N441 PolarHBondContact O-N 3.26Å
440	D	29.3	Very low	27.3	Very low	104 Å²	104	151.2 Å²	151.2	56%	0.556	80%	0.801	S	S	*	*			trans	-77.7	85.7	175.4	-122.4	37.2	0	0	0	109.6	K438 R442	K438-D440 PolarHBondContact O-N 2.86Å; K438-D440 VanDerWaalsContact O-N 3.17Å; D440-R442 PolarHBondContact O-N 3.48Å; D440-R442 IonicContact OD2-CZ 3.77Å; D440-R442 VanDerWaalsContact OD2-CZ 3.27Å; D440-R442 IonicContact OD2-NE 2.72Å; D440-R442 PolarHBondContact OD2-NE 3.29Å; D440-R442 IonicContact OD2-NH2 2.73Å; D440-R442 PolarHBondContact OD2-NH2 2.96Å
441	N	27.3	Very low	26.9	Very low	155 Å²	155	147.2 Å²	147.2	83%	0.829	80%	0.795	S	S	*	*			trans	-67.2	81.4	168.8	-75.9	-10.1	0	0	0	109.5	S439	S439-N441 VanDerWaalsContact C-N 3.34Å; S439-N441 PolarHBondContact O-N 3.26Å
442	R	26.5	Very low	26.7	Very low	199 Å²	199	147.7 Å²	147.7	75%	0.751	80%	0.804	S	S	*	*			trans	-96.6	101.5	172.6	-67.3	-167	-172.3	-150	-0.5	110.8	D440 I444	D440-R442 PolarHBondContact O-N 3.48Å; D440-R442 IonicContact OD2-CZ 3.77Å; D440-R442 VanDerWaalsContact OD2-CZ 3.27Å; D440-R442 IonicContact OD2-NE 2.72Å; D440-R442 PolarHBondContact OD2-NE 3.29Å; D440-R442 IonicContact OD2-NH2 2.73Å; D440-R442 PolarHBondContact OD2-NH2 2.96Å; R442-I444 PolarHBondContact O-N 3.44Å
443	A	25.8	Very low	26.5	Very low	96 Å²	96	144.3 Å²	144.3	79%	0.793	80%	0.803	S	S	*	*			trans	-58.4	133.5	156.7	0	0	0	0	0	108.9	P445	A443-P445 WeakPolarHBondContact O-CD 3.45Å
444	I	26.1	Very low	26.1	Very low	155 Å²	155	143.6 Å²	143.6	80%	0.795	80%	0.797	S	S	*	*			trans	-89.2	116.3	177	-59.4	174.7	0	0	0	107.8	R442 A446	R442-I444 PolarHBondContact O-N 3.44Å; I444-A446 PolarHBondContact O-N 2.88Å
445	P	26.8	Very low	26.1	Very low	103 Å²	103	143.8 Å²	143.8	67%	0.669	79%	0.793	S	S	*	*			trans	-76.1	115.1	175.8	30.2	-32	0	0	0	109.9	A443 C447	A443-P445 WeakPolarHBondContact O-CD 3.45Å; P445-C447 VanDerWaalsContact C-N 3.26Å; P445-C447 PolarHBondContact O-N 3.04Å
446	A	25.3	Very low	25.8	Very low	104 Å²	104	144.3 Å²	144.3	86%	0.86	79%	0.789	S	S	*	*			trans	-82.1	69.5	174.2	0	0	0	0	0	111.1	I444	I444-A446 PolarHBondContact O-N 2.88Å
447	C	22.8	Very low	25.7	Very low	109 Å²	109	145.2 Å²	145.2	74%	0.736	79%	0.789	S	S	*	*			trans	-115.9	95.1	170.3	-63.2	0	0	0	0	109.4	P445	P445-C447 VanDerWaalsContact C-N 3.26Å; P445-C447 PolarHBondContact O-N 3.04Å
448	F	26.3	Very low	25.5	Very low	201 Å²	201	141.6 Å²	141.6	88%	0.882	78%	0.779	S	S	*	*			trans	-131	107.5	164.3	-84	-78.3	0	0	0	109.4
449	E	23.8	Very low	25.3	Very low	197 Å²	197	143.7 Å²	143.7	92%	0.921	78%	0.782	S	S	*	*			trans	-66.9	138.6	175	-165.2	170.5	-163.6	0	0	110
450	M	24.3	Very low	25.3	Very low	162 Å²	162	146.2 Å²	146.2	80%	0.798	79%	0.788	S	S	*	*			trans	-80.7	128.3	-172.8	-72.5	-171.7	-80.5	0	0	111.8	A452	M450-A452 PolarHBondContact O-N 3.31Å; M450-A452 VanDerWaalsContact O-N 3.08Å
451	A	23.6	Very low	25.3	Very low	97 Å²	97	149 Å²	149	80%	0.802	80%	0.797	S	S	*	*			trans	-66.8	105.8	164.7	0	0	0	0	0	109.6	L453	A451-L453 PolarHBondContact O-N 2.92Å
452	A	23.8	Very low	25.4	Very low	99 Å²	99	149.7 Å²	149.7	82%	0.818	80%	0.8	S	S	*	*			trans	-67.3	100	179.4	0	0	0	0	0	111.5	M450 K454	M450-A452 PolarHBondContact O-N 3.31Å; M450-A452 VanDerWaalsContact O-N 3.08Å; A452-K454 PolarHBondContact O-N 3.47Å
453	L	23.3	Very low	25.6	Very low	161 Å²	161	143.8 Å²	143.8	84%	0.843	80%	0.801	S	S	*	*			trans	-74	96.4	175.8	-106.2	164.3	0	0	0	110.8	A451 V455	A451-L453 PolarHBondContact O-N 2.92Å; L453-V455 VanDerWaalsContact C-N 3.35Å; L453-V455 PolarHBondContact O-N 3.44Å
454	K	22	Very low	25.7	Very low	185 Å²	185	144.3 Å²	144.3	80%	0.804	80%	0.799	S	S	*	*			trans	-72.4	82.7	175.5	-172.4	173.1	-174.1	166	0	111.3	A452 R456	A452-K454 PolarHBondContact O-N 3.47Å; K454-R456 PolarHBondContact O-N 3.25Å; K454-R456 VanDerWaalsContact O-N 3.11Å
455	V	24.9	Very low	25.8	Very low	118 Å²	118	142.4 Å²	142.4	72%	0.715	79%	0.794	S	S	*	*			trans	-70.3	105	172.5	-177.8	0	0	0	0	109.5	L453 V457	L453-V455 VanDerWaalsContact C-N 3.35Å; L453-V455 PolarHBondContact O-N 3.44Å; V455-V457 PolarHBondContact O-N 3.07Å
456	R	23.5	Very low	26	Very low	215 Å²	215	142.8 Å²	142.8	81%	0.811	80%	0.795	S	S	*	*			trans	-73.3	118.6	164	-76.8	178.3	171	159.3	-3.6	108.3	K454 S458	K454-R456 PolarHBondContact O-N 3.25Å; K454-R456 VanDerWaalsContact O-N 3.11Å; R456-S458 PolarHBondContact O-N 3.1Å; R456-S458 VanDerWaalsContact O-N 3.14Å
457	V	24.6	Very low	26.2	Very low	136 Å²	136	143.4 Å²	143.4	82%	0.824	78%	0.784	S	S	*	*			trans	-73.5	101.6	164	179.9	0	0	0	0	107.8	V455 R459	V455-V457 PolarHBondContact O-N 3.07Å; V457-R459 PolarHBondContact O-N 3.38Å
458	S	26.9	Very low	26.6	Very low	94 Å²	94	145.4 Å²	145.4	66%	0.657	78%	0.782	S	S	*	*			trans	-73	106.7	171.9	50.1	0	0	0	0	109.8	R456 N460	R456-S458 PolarHBondContact O-N 3.1Å; R456-S458 VanDerWaalsContact O-N 3.14Å; S458-N460 PolarHBondContact O-N 3.12Å
459	R	25	Very low	26.9	Very low	228 Å²	228	142.7 Å²	142.7	86%	0.86	78%	0.777	S	S	*	*			trans	-77.1	96.7	171.2	-168.1	179.7	-163.8	158.9	2.9	108.5	V457 E461	V457-R459 PolarHBondContact O-N 3.38Å; R459-E461 PolarHBondContact O-N 2.94Å; R459-E461 VanDerWaalsContact O-N 3.09Å
460	N	30.2	Very low	27.1	Very low	152 Å²	152	142.2 Å²	142.2	81%	0.813	77%	0.772	S	S	*	*			trans	-76.1	97.2	174.6	-79.1	6.8	0	0	0	110	S458	S458-N460 PolarHBondContact O-N 3.12Å
461	E	28.6	Very low	27.4	Very low	162 Å²	162	142 Å²	142	76%	0.757	77%	0.774	S	S	*	*			trans	-67.7	132.8	151	-58.9	175.5	153.5	0	0	108.6	R459	R459-E461 PolarHBondContact O-N 2.94Å; R459-E461 VanDerWaalsContact O-N 3.09Å
462	L	29.7	Very low	27.7	Very low	171 Å²	171	141.7 Å²	141.7	90%	0.895	76%	0.764	S	S	*	*				-177.7	137.5	113.4	-134.4	69.8	0	0	0	112.1
463	G	30.9	Very low	28	Very low	75 Å²	75	144 Å²	144	77%	0.773	76%	0.762	S	S	*	*			trans	107.8	115.1	163	0	0	0	0	0	115
464	S	27.7	Very low	28.3	Very low	107 Å²	107	144.7 Å²	144.7	75%	0.748	76%	0.759	S	S	*	*			cis	-160.5	153.6	-8.9	85.2	0	0	0	0	111.5
465	V	28.3	Very low	28.7	Very low	115 Å²	115	141.3 Å²	141.3	70%	0.697	75%	0.754	S	S	*	*			trans	77.8	96.9	144.5	173.2	0	0	0	0	118.6
466	T	30.5	Very low	28.8	Very low	111 Å²	111	143 Å²	143	68%	0.681	76%	0.759	S	S	*	*			trans	70	143.8	135.8	65.4	0	0	0	0	119.8
467	N	29.9	Very low	29.1	Very low	116 Å²	116	141.1 Å²	141.1	62%	0.62	76%	0.759	S	S	*	*			cis	-161.6	151.7	-1.2	-112.9	-6.6	0	0	0	111.1
468	H	30	Very low	29.1	Very low	152 Å²	152	144.1 Å²	144.1	70%	0.704	76%	0.764	S	S	*	*			trans	47.6	132.9	146.6	-59.4	-52.1	0	0	0	120.4
469	N	33.9	Very low	29.3	Very low	144 Å²	144	146.2 Å²	146.2	77%	0.77	77%	0.766	S	S	*	*			cis	-150.1	150.2	15.3	-100.3	-22.4	0	0	0	112.4
470	F	27.5	Very low	29.4	Very low	187 Å²	187	145.8 Å²	145.8	82%	0.82	77%	0.765	S	S	*	*			trans	-73.1	144.1	163.5	-90.6	-111.9	0	0	0	110.9	P472	F470-P472 HydrophobicContact CD1-CG 3.98Å
471	N	29.9	Very low	29.5	Very low	156 Å²	156	144.8 Å²	144.8	83%	0.834	76%	0.759	S	S	*	*			trans	-154.3	98.2	135.2	-160.4	28.2	0	0	0	110.4
472	P	30	Very low	29.3	Very low	91 Å²	91	141.7 Å²	141.7	59%	0.591	76%	0.756	S	S	*	*			trans	-102.1	104.1	175.2	34.7	-24.2	0	0	0	109.9	F470	F470-P472 HydrophobicContact CD1-CG 3.98Å
473	D	29.7	Very low	29.1	Very low	147 Å²	147	141.4 Å²	141.4	79%	0.786	76%	0.755	S	S	*	*			trans	-164.3	155.6	161.6	-115.5	-28.5	0	0	0	112.7
474	F	29.8	Very low	29	Very low	177 Å²	177	142.3 Å²	142.3	78%	0.776	76%	0.755	S	S	*	*			trans	78.9	99.9	169.7	-90.4	-109.4	0	0	0	121.6
475	V	30.1	Very low	28.8	Very low	114 Å²	114	147.1 Å²	147.1	69%	0.691	76%	0.763	S	S	*	*				75.6	133	115.8	171.5	0	0	0	0	120.6
476	D	26.9	Very low	28.8	Very low	153 Å²	153	148.1 Å²	148.1	82%	0.818	77%	0.769	S	S	*	*			trans	-42.1	131.9	170.2	-55.4	-72.4	0	0	0	115.4
477	Q	29.7	Very low	28.5	Very low	176 Å²	176	150.1 Å²	150.1	82%	0.822	78%	0.775	S	S	*	*			trans	-150.5	114.8	145.3	-142.5	159.5	31.3	0	0	113.3	I479	Q477-I479 PolarHBondContact O-N 3.26Å
478	E	25.7	Very low	28.4	Very low	198 Å²	198	153.8 Å²	153.8	93%	0.925	79%	0.786	S	S	*	*			trans	-61.6	114.1	164.4	-66.7	179.1	112	0	0	110.5
479	I	31.2	Very low	28.5	Very low	138 Å²	138	155.1 Å²	155.1	71%	0.708	79%	0.792	S	S	*	*			trans	-136.9	99.5	154.7	-58	-176.2	0	0	0	108	Q477	Q477-I479 PolarHBondContact O-N 3.26Å
480	R	27.4	Very low	28.3	Very low	220 Å²	220	153.8 Å²	153.8	83%	0.83	79%	0.792	S	S	*	*				81.6	142.1	79.9	-125.7	-174.4	-168.5	167.8	3.2	114.4
481	N	31.1	Very low	28.2	Very low	130 Å²	130	154.3 Å²	154.3	70%	0.695	79%	0.789	S	S	*	*			trans	79.1	98.2	165.7	-46.4	-17.8	0	0	0	114.9
482	S	25.8	Very low	28.3	Very low	98 Å²	98	155 Å²	155	69%	0.685	79%	0.785	S	S	*	*			cis	72.1	105.6	41.4	91.3	0	0	0	0	116
483	N	25.3	Very low	28.4	Very low	165 Å²	165	155.9 Å²	155.9	88%	0.882	79%	0.785	S	S	*	*			trans	42.7	106.3	140	-56	-7.7	0	0	0	120.7
484	A	28.9	Very low	28.5	Very low	94 Å²	94	157 Å²	157	78%	0.777	78%	0.779	S	S	*	*			trans	-163.3	121.5	144.4	0	0	0	0	0	106.5
485	F	23.8	Very low	28.7	Very low	208 Å²	208	155.7 Å²	155.7	91%	0.912	78%	0.775	S	S	*	*			cis	53.3	83.4	49.2	-117.3	-73	0	0	0	113.4
486	T	26.9	Very low	28.8	Very low	135 Å²	135	154.4 Å²	154.4	83%	0.828	77%	0.771	S	S	*	*			trans	-172.3	138.9	131.6	14.9	0	0	0	0	115.4
487	L	24.5	Very low	29.1	Very low	154 Å²	154	158.5 Å²	158.5	81%	0.806	78%	0.775	S	S	*	*			trans	-29.8	132.1	152.7	-102.6	69.7	0	0	0	115.9
488	K	28.7	Very low	29.3	Very low	193 Å²	193	154.4 Å²	154.4	84%	0.839	77%	0.766	S	S	*	*				165.3	134.6	116.4	-91.9	158.8	-174.8	176.7	0	112.9
489	Q	31.8	Very low	29.6	Very low	180 Å²	180	152.3 Å²	152.3	84%	0.841	76%	0.761	S	S	*	*			trans	-68.5	150.4	158.2	-72.7	-178.2	-20.3	0	0	110.8
490	P	28.9	Very low	29.6	Very low	116 Å²	116	149.6 Å²	149.6	75%	0.753	75%	0.754	S	S	*	*				-135.9	127.1	122.4	17.2	3.4	0	0	0	111.8
491	Y	26.9	Very low	29.8	Very low	198 Å²	198	147.7 Å²	147.7	78%	0.776	76%	0.755	S	S	*	*				82.8	136.5	76.4	-104.8	-67.8	0	0	0	116.1
492	K	30.7	Very low	29.7	Very low	171 Å²	171	145.8 Å²	145.8	74%	0.743	75%	0.752	S	S	*	*			trans	75.3	135.9	160.6	-65.3	175.3	-175.9	176.4	0	115.3
493	N	32.5	Very low	30	Very low	109 Å²	109	149.3 Å²	149.3	58%	0.583	76%	0.757	S	S	*	*			cis	-157.6	172	11.8	-98.4	-14.6	0	0	0	108.5
494	Y	32.2	Very low	30.2	Very low	171 Å²	171	146.8 Å²	146.8	67%	0.671	75%	0.748	S	S	*	*			cis	-163.2	159.8	-4.6	-114.7	-31.4	0	0	0	110
495	H	34.3	Very low	30.4	Very low	148 Å²	148	148.4 Å²	148.4	69%	0.685	74%	0.744	S	S	*	*			trans	54	146.6	146.6	-63.1	-41.2	0	0	0	122.4
496	S	31.7	Very low	30.6	Very low	87 Å²	87	144.6 Å²	144.6	61%	0.608	73%	0.733	S	S	*	*			cis	-174.2	145.6	-11.9	-97.4	0	0	0	0	111.3
497	R	32.2	Very low	30.9	Very low	239 Å²	239	143 Å²	143	90%	0.902	73%	0.727	S	S	*	*			trans	66.1	147.6	154.2	-72.3	179	174.3	-179.1	-3.1	118.2
498	S	35.2	Very low	31.3	Very low	91 Å²	91	144.5 Å²	144.5	64%	0.636	73%	0.727	S	S	*	*			cis	-171.2	148.1	-5.2	42.7	0	0	0	0	111.8
499	N	32.5	Very low	31.3	Very low	154 Å²	154	141 Å²	141	82%	0.824	72%	0.718	S	S	*	*			trans	57.1	148.6	145.6	-66.9	14.1	0	0	0	120.1
500	S	31.3	Very low	31.3	Very low	80 Å²	80	139.4 Å²	139.4	56%	0.559	71%	0.713	S	S	*	*			cis	-179.4	141.7	-14	47.3	0	0	0	0	109.2
501	Q	30.4	Very low	31.4	Very low	181 Å²	181	139.7 Å²	139.7	85%	0.846	71%	0.712	S	S	*	*			trans	62.2	153.1	157.7	-70.3	158.1	-64.5	0	0	117.8
502	S	30.3	Very low	31.7	Very low	90 Å²	90	138.2 Å²	138.2	63%	0.629	71%	0.713	S	S	*	*			cis	-171.6	167.9	-19	49.4	0	0	0	0	109.7
503	Q	31.6	Very low	31.6	Very low	172 Å²	172	136.9 Å²	136.9	80%	0.804	71%	0.714	S	S	*	*			trans	79.8	110.4	163.3	-66.2	-178.5	-60.8	0	0	120.2
504	T	29.2	Very low	31.5	Very low	111 Å²	111	136.5 Å²	136.5	68%	0.681	72%	0.716	S	S	*	*				19.5	142.3	109.6	54.3	0	0	0	0	118
505	D	32.4	Very low	31.4	Very low	129 Å²	129	134.8 Å²	134.8	69%	0.69	72%	0.718	S	S	*	*			cis	-166.2	157.7	29.1	-125.3	-9.7	0	0	0	114.1
506	N	29.1	Very low	31.4	Very low	128 Å²	128	134.6 Å²	134.6	68%	0.684	72%	0.722	S	S	*	*			trans	53.3	118.5	144.4	-70.5	-43.9	0	0	0	124.7
507	S	32	Very low	31.3	Very low	101 Å²	101	136.8 Å²	136.8	71%	0.706	73%	0.727	S	S	*	*				109.3	136	118.6	79.1	0	0	0	0	121.7
508	K	32.6	Very low	31.3	Very low	185 Å²	185	132.3 Å²	132.3	80%	0.804	72%	0.721	S	S	*	*			trans	63.3	147.5	148.4	-72.4	176.5	178.2	175.5	0	117.4
509	N	30.5	Very low	31	Very low	121 Å²	121	136.5 Å²	136.5	65%	0.647	73%	0.728	S	S	*	*			cis	-172.1	165.8	-0.6	-121.7	4.2	0	0	0	109.1
510	I	31.5	Very low	31.1	Very low	146 Å²	146	135.3 Å²	135.3	75%	0.749	72%	0.722	S	S	*	*			trans	68.7	141.8	150	-65.8	160.1	0	0	0	116.5
511	V	29.7	Very low	30.9	Very low	121 Å²	121	139.5 Å²	139.5	73%	0.733	73%	0.733	S	S	*	*			cis	158.7	165.7	-21.3	148.4	0	0	0	0	106
512	E	33.3	Very low	31.1	Very low	168 Å²	168	136.9 Å²	136.9	79%	0.785	73%	0.734	S	S	*	*			trans	98.6	113.1	175.3	-52.4	-159.9	140	0	0	115.3
513	N	28.4	Very low	30.9	Very low	142 Å²	142	144.6 Å²	144.6	76%	0.759	75%	0.749	S	S	*	*				69.6	137.8	69.2	-79	-9.7	0	0	0	112.3
514	T	30.5	Very low	31	Very low	102 Å²	102	142.3 Å²	142.3	63%	0.626	75%	0.752	S	S	*	*			cis	-168.6	164.1	12.9	4.1	0	0	0	0	110.9
515	N	30.6	Very low	30.8	Very low	134 Å²	134	142.6 Å²	142.6	72%	0.717	76%	0.759	S	S	*	*			trans	58.3	131.6	147.3	-57.9	-12.5	0	0	0	119.6
516	N	33.9	Very low	30.7	Very low	145 Å²	145	141.5 Å²	141.5	78%	0.775	76%	0.761	S	S	*	*				-174.1	173.8	64.7	-108.5	-32.6	0	0	0	113.2
517	N	29.2	Very low	30.7	Very low	133 Å²	133	140.2 Å²	140.2	71%	0.711	76%	0.763	S	S	*	*			trans	-57.3	161.9	176.3	-46.8	-43.6	0	0	0	113
518	D	34	Very low	30.4	Very low	145 Å²	145	144.7 Å²	144.7	78%	0.775	77%	0.772	S	S	*	*				-171.8	172.3	68.7	-114	-43.9	0	0	0	116.6
519	F	27.8	Very low	30.3	Very low	178 Å²	178	141.7 Å²	141.7	78%	0.781	78%	0.775	S	S	*	*			trans	-52.7	143.1	177.8	-83.6	-120.3	0	0	0	115.4
520	N	33.7	Very low	30.2	Very low	129 Å²	129	143.1 Å²	143.1	69%	0.69	78%	0.782	S	S	*	*				-174.7	131.3	109.5	-98.7	-50.9	0	0	0	116.2
521	Q	29	Very low	29.9	Very low	169 Å²	169	147 Å²	147	79%	0.79	79%	0.788	S	S	*	*			trans	33.7	120.3	137	-59.3	176.3	46.1	0	0	121.3
522	S	33.5	Very low	29.8	Very low	126 Å²	126	150.4 Å²	150.4	88%	0.881	80%	0.796	S	S	*	*				-159.5	129	129.8	-82.7	0	0	0	0	110.8
523	R	26.4	Very low	29.5	Very low	251 Å²	251	149.4 Å²	149.4	95%	0.947	80%	0.795	S	S	*	*			trans	-87.9	137	175.4	-71.9	173.3	168.1	173.4	-5.1	109.9
524	S	33.5	Very low	29.4	Very low	124 Å²	124	149.1 Å²	149.1	87%	0.867	80%	0.799	S	S	*	*			trans	-144.1	134.1	163	-59.8	0	0	0	0	110.3
525	S	25.3	Very low	29.4	Very low	117 Å²	117	149.7 Å²	149.7	82%	0.818	80%	0.802	S	S	*	*			trans	-124.9	126.2	-174	53.1	0	0	0	0	111.8
526	S	30.9	Very low	29.2	Very low	106 Å²	106	148.6 Å²	148.6	74%	0.741	80%	0.802	S	S	*	*			trans	176.3	107.8	166.7	45.3	0	0	0	0	107.1
527	S	28	Very low	29	Very low	102 Å²	102	148.8 Å²	148.8	71%	0.713	80%	0.797	S	S	*	*				78.7	115.7	84	70.1	0	0	0	0	114.5
528	E	25.8	Very low	28.8	Very low	194 Å²	194	154.4 Å²	154.4	91%	0.907	81%	0.808	S	S	*	*			trans	54.4	114.3	151.7	-63.3	175.5	130.4	0	0	120.6
529	S	29.9	Very low	28.4	Very low	122 Å²	122	158 Å²	158	85%	0.853	81%	0.81	S	S	*	*			trans	-149	114.5	136.7	64.9	0	0	0	0	110.5
530	D	28	Very low	28.3	Very low	152 Å²	152	155 Å²	155	81%	0.813	81%	0.807	S	S	*	*			trans	-65.6	151.6	169.5	-89.6	-47.2	0	0	0	112.1
531	R	26.7	Very low	27.8	Very low	228 Å²	228	155.2 Å²	155.2	86%	0.86	81%	0.808	S	S	*	*			trans	60.3	103.9	167.3	-61.8	174.3	174.2	122.4	1.5	116.4
532	E	27.9	Very low	27.7	Very low	192 Å²	192	156.1 Å²	156.1	90%	0.897	81%	0.812	S	S	*	*			trans	-165.9	160.6	130.7	-109.2	159	-150.1	0	0	112.8
533	D	25.8	Very low	27.2	Very low	146 Å²	146	154.1 Å²	154.1	78%	0.781	80%	0.798	S	S	*	*			trans	-32.2	128.3	-175	-64.7	-44	0	0	0	120
534	V	27.7	Very low	27.2	Very low	137 Å²	137	149.6 Å²	149.6	83%	0.83	79%	0.791	S	S	*	*			trans	-140.6	98.2	141.7	-168.7	0	0	0	0	111.2
535	T	28.7	Very low	26.9	Very low	113 Å²	113	150.6 Å²	150.6	69%	0.693	79%	0.786	S	S	*	*			trans	-76.4	126.1	165	43.7	0	0	0	0	110.1	F537	T535-F537 PolarHBondContact O-N 3.02Å
536	P	26.4	Very low	26.9	Very low	111 Å²	111	151.2 Å²	151.2	72%	0.721	79%	0.785	S	S	*	*	S	Bend	trans	-85.2	46.9	-178.6	36.1	-36.7	0	0	0	112.2
537	F	29.7	Very low	26.7	Very low	150 Å²	150	152.8 Å²	152.8	66%	0.658	79%	0.785	S	S	*	*			trans	-142.4	73.5	172.8	-69.7	-68.6	0	0	0	110.7	T535 R539	T535-F537 PolarHBondContact O-N 3.02Å; F537-R539 PolarHBondContact O-N 3.13Å
538	R	24.9	Very low	26.7	Very low	250 Å²	250	156 Å²	156	94%	0.943	79%	0.788	S	S	*	*			trans	-61.1	119.5	156.6	-86.9	-173	173.8	163.9	-0.4	107.7	T540	R538-T540 PolarHBondContact O-N 3.02Å
539	R	25.7	Very low	26.7	Very low	220 Å²	220	158.9 Å²	158.9	83%	0.83	79%	0.791	S	S	*	*			trans	-55.7	126.4	165.7	-70.4	174.3	172.6	153.5	-3	108	F537 D541	F537-R539 PolarHBondContact O-N 3.13Å; R539-D541 PolarHBondContact O-N 2.93Å
540	T	25.7	Very low	26.6	Very low	115 Å²	115	157.7 Å²	157.7	71%	0.706	78%	0.775	S	S	*	*			trans	-74.9	113.6	150.2	37.6	0	0	0	0	106.6	R538 H542	R538-T540 PolarHBondContact O-N 3.02Å; T540-H542 PolarHBondContact O-N 3.31Å
541	D	23.9	Very low	26.6	Very low	135 Å²	135	158.5 Å²	158.5	72%	0.722	77%	0.771	S	S	*	*			trans	-67.2	95.2	180	-69	-46.1	0	0	0	110.3	R539 S543	R539-D541 PolarHBondContact O-N 2.93Å; D541-S543 PolarHBondContact O-N 2.96Å
542	H	26.3	Very low	26.7	Very low	187 Å²	187	154 Å²	154	87%	0.866	77%	0.765	S	S	*	*			trans	-73.3	78	164.7	-75.6	-71.2	0	0	0	109.5	T540	T540-H542 PolarHBondContact O-N 3.31Å
543	S	24.3	Very low	26.7	Very low	85 Å²	85	151.1 Å²	151.1	59%	0.594	76%	0.755	S	S	*	*			trans	-121.2	148.2	157.4	69.2	0	0	0	0	108.2	D541	D541-S543 PolarHBondContact O-N 2.96Å
544	I	26.7	Very low	26.9	Very low	156 Å²	156	150.6 Å²	150.6	80%	0.8	75%	0.753	S	S	*	*	S	Bend	trans	85.7	118.7	-178.4	-50.5	166.5	0	0	0	114.6
545	L	26.7	Very low	27.1	Very low	145 Å²	145	151.6 Å²	151.6	76%	0.759	75%	0.753	S	S	*	*			trans	70.3	68.1	166.8	-94	72.3	0	0	0	119.8
546	T	25.1	Very low	27	Very low	129 Å²	129	153.4 Å²	153.4	79%	0.791	76%	0.759	S	S	*	*				-69.2	143.5	117.3	39.2	0	0	0	0	108.9
547	D	27.1	Very low	27.2	Very low	140 Å²	140	154.2 Å²	154.2	75%	0.749	76%	0.764	S	S	*	*			trans	105.3	67.7	177.8	-56.9	-12.1	0	0	0	116.7
548	H	28	Very low	27	Very low	169 Å²	169	157.9 Å²	157.9	78%	0.782	77%	0.773	S	S	*	*				-163.6	81.6	127.8	-134.9	-89.2	0	0	0	112.7	D550	H548-D550 PolarHBondContact O-N 2.94Å
549	W	24.9	Very low	27.1	Very low	254 Å²	254	153.8 Å²	153.8	96%	0.962	77%	0.769	S	S	*	*			trans	-76.7	97.6	149.6	-99.4	31.3	0	0	0	107.3
550	D	27.6	Very low	27.2	Very low	98 Å²	98	150.6 Å²	150.6	52%	0.524	77%	0.769	S	S	.	*			trans	171.1	143.9	131.7	-111.1	-8.1	0	0	0	113.7	H548	H548-D550 PolarHBondContact O-N 2.94Å
551	K	27.6	Very low	27.1	Very low	168 Å²	168	148.6 Å²	148.6	73%	0.73	77%	0.771	S	S	*	*			trans	69	140.8	149.6	-66.5	171.2	180	104.2	0	120.6
552	N	29.4	Very low	27.2	Very low	135 Å²	135	148.9 Å²	148.9	72%	0.722	78%	0.778	S	S	*	*			trans	81.5	96.6	159.8	-65.8	-12.7	0	0	0	119.9
553	N	29	Very low	27	Very low	130 Å²	130	148.8 Å²	148.8	70%	0.695	78%	0.777	S	S	*	*				66.8	121	117.8	-61	-13.8	0	0	0	120.4
554	N	29.3	Very low	27.1	Very low	136 Å²	136	151.4 Å²	151.4	73%	0.727	78%	0.783	S	S	*	*			trans	49.4	95.4	136.1	-57.5	-8.4	0	0	0	117.4
555	N	32.3	Very low	27	Very low	157 Å²	157	150.9 Å²	150.9	84%	0.84	78%	0.778	S	S	*	*				179.1	140.7	102.2	-84.4	-33.1	0	0	0	111.5
556	N	26	Very low	26.9	Very low	151 Å²	151	151.4 Å²	151.4	81%	0.807	78%	0.781	S	S	*	*			trans	-65.4	151.2	172.1	-76.1	-43.3	0	0	0	111.2
557	P	30.2	Very low	27	Very low	128 Å²	128	152.3 Å²	152.3	83%	0.831	78%	0.776	S	S	*	*				-128.8	139.9	114	34.6	-27.8	0	0	0	113.5
558	R	25.3	Very low	27.1	Very low	227 Å²	227	153.6 Å²	153.6	86%	0.857	78%	0.783	S	S	*	*			trans	-76.6	150.6	176.5	-70.4	171.8	160.9	-180	-7.7	111.6
559	L	28.4	Very low	27.2	Very low	165 Å²	165	155.1 Å²	155.1	86%	0.864	79%	0.791	S	S	*	*			trans	-144.9	96.7	152.6	-108.9	164.6	0	0	0	112
560	N	26.9	Very low	27.3	Very low	152 Å²	152	146 Å²	146	81%	0.813	78%	0.775	S	S	*	*			trans	27.1	123.8	149.7	-56.7	-11.7	0	0	0	121.6
561	G	23.8	Very low	27.3	Very low	73 Å²	73	151.7 Å²	151.7	75%	0.753	79%	0.791	S	S	*	*			trans	155.4	96.6	149	0	0	0	0	0	116.4
562	V	25.4	Very low	27.4	Very low	142 Å²	142	149.8 Å²	149.8	86%	0.861	79%	0.788	S	S	*	*			trans	66.5	96.9	169.7	-167.6	0	0	0	0	115.9
563	Q	23.3	Very low	27.2	Very low	184 Å²	184	149.5 Å²	149.5	86%	0.86	79%	0.792	S	S	*	*			trans	-100.7	122.1	167.7	-175.9	174.6	-2.5	0	0	108.9
564	I	25.7	Very low	27.2	Very low	141 Å²	141	150.4 Å²	150.4	72%	0.723	79%	0.794	S	S	*	*			trans	-86	122.5	170.3	-63.1	175.8	0	0	0	107.8
565	Q	25	Very low	27.2	Very low	145 Å²	145	151.9 Å²	151.9	68%	0.678	79%	0.794	S	S	*	*			trans	-87.2	108.2	178.2	-164.3	173.7	6.8	0	0	108.8	E567	Q565-E567 HydrophobicContact CG-CG 4.44Å; Q565-E567 PolarHBondContact NE2-OE1 3.4Å
566	N	25	Very low	26.9	Very low	155 Å²	155	150.3 Å²	150.3	83%	0.829	79%	0.79	S	S	*	*			trans	-108.3	89.4	167.2	-90.2	1.7	0	0	0	108.2
567	E	25.8	Very low	26.9	Very low	148 Å²	148	153.2 Å²	153.2	69%	0.692	80%	0.796	S	S	*	*			trans	-101.4	110.8	162.8	-77.3	168.1	-146.3	0	0	108	Q565	Q565-E567 HydrophobicContact CG-CG 4.44Å; Q565-E567 PolarHBondContact NE2-OE1 3.4Å
568	N	31	Very low	26.5	Very low	168 Å²	168	151.9 Å²	151.9	90%	0.898	79%	0.788	S	S	*	*			trans	-162.2	126.9	132	-100.2	-28.2	0	0	0	109.8
569	E	28.6	Very low	26.5	Very low	201 Å²	201	148.3 Å²	148.3	94%	0.939	79%	0.786	S	S	*	*			trans	-80.1	167.7	-176.1	-53	173	124.5	0	0	111.4
570	G	27.7	Very low	26.4	Very low	61 Å²	61	147.1 Å²	147.1	63%	0.629	78%	0.78	S	S	*	*			trans	142.9	113.8	150.4	0	0	0	0	0	117.3
571	Y	28.2	Very low	26.4	Very low	218 Å²	218	146.9 Å²	146.9	86%	0.855	77%	0.774	S	S	*	*			trans	75.1	75.4	150.9	-63.5	-81.8	0	0	0	120
572	N	28.2	Very low	26.4	Very low	128 Å²	128	149.8 Å²	149.8	68%	0.684	78%	0.777	S	S	*	*				45	128.4	109.5	-66.9	-18.1	0	0	0	121.2
573	T	27.1	Very low	26.4	Very low	130 Å²	130	153 Å²	153	80%	0.798	78%	0.776	S	S	*	*			trans	67.3	143.3	145.7	55.5	0	0	0	0	117.5
574	M	28.2	Very low	26.5	Very low	148 Å²	148	147.7 Å²	147.7	73%	0.729	77%	0.77	S	S	*	*			cis	-159.3	152.3	20.3	-139.7	-170.5	-156.4	0	0	111.5
575	K	28.6	Very low	26.5	Very low	168 Å²	168	149 Å²	149	73%	0.73	78%	0.777	S	S	*	*			trans	45.5	115	149.4	-74.4	172.6	179.8	179	0	121.7
576	T	25.5	Very low	26.4	Very low	124 Å²	124	147.7 Å²	147.7	76%	0.761	78%	0.784	S	S	*	*				3.1	128.5	127.3	13.5	0	0	0	0	119
577	F	26.8	Very low	26.5	Very low	211 Å²	211	148.8 Å²	148.8	93%	0.925	79%	0.789	S	S	*	*				-157.8	146	128.6	-117.1	-80.2	0	0	0	110.8
578	C	22.9	Very low	26.4	Very low	100 Å²	100	147 Å²	147	68%	0.676	79%	0.793	S	S	*	*			trans	-89.2	173.2	171.7	-70	0	0	0	0	111.6
579	D	24.1	Very low	26.3	Very low	152 Å²	152	144.8 Å²	144.8	81%	0.813	79%	0.791	S	S	*	*			trans	85.6	159.2	158.2	-53.2	-31.9	0	0	0	119.8
580	L	26	Very low	26.3	Very low	140 Å²	140	140.2 Å²	140.2	73%	0.733	78%	0.781	S	S	*	*			trans	84.4	98.7	174.1	-77.2	88.2	0	0	0	120.2
581	Q	27.9	Very low	26.4	Very low	147 Å²	147	144.7 Å²	144.7	69%	0.687	79%	0.786	S	S	*	*				63.3	112.4	113.5	-67.6	174.3	1.2	0	0	120.3	Y583	Q581-Y583 PolarHBondContact O-N 2.82Å
582	T	23.3	Very low	26.5	Very low	135 Å²	135	142.6 Å²	142.6	83%	0.828	78%	0.781	S	S	*	*				13.3	99.9	122.6	-42.7	0	0	0	0	117.6
583	Y	26.5	Very low	26.6	Very low	210 Å²	210	144.4 Å²	144.4	82%	0.824	79%	0.791	S	S	*	*			trans	-144.8	128.5	146.8	-96.5	-79	0	0	0	110.1	Q581	Q581-Y583 PolarHBondContact O-N 2.82Å
584	G	23.7	Very low	26.7	Very low	71 Å²	71	147.3 Å²	147.3	73%	0.732	79%	0.792	S	S	*	*			trans	-79.9	143.7	172.1	0	0	0	0	0	111.1
585	L	26.7	Very low	26.8	Very low	169 Å²	169	149.6 Å²	149.6	89%	0.885	80%	0.8	S	S	*	*			trans	-125	109.5	168.2	-76.3	174.9	0	0	0	110.2
586	S	22.2	Very low	26.7	Very low	118 Å²	118	151.2 Å²	151.2	83%	0.825	81%	0.807	S	S	*	*			trans	-73.1	130.4	166.7	45.3	0	0	0	0	110.2
587	L	27.4	Very low	26.9	Very low	177 Å²	177	152.4 Å²	152.4	93%	0.927	82%	0.815	S	S	*	*			trans	-106.9	99.6	167.2	-92.6	158.1	0	0	0	109.4
588	S	23.6	Very low	26.8	Very low	111 Å²	111	148 Å²	148	78%	0.776	81%	0.81	S	S	*	*			trans	-86	116	170.6	143.6	0	0	0	0	109.3
589	S	29.4	Very low	27	Very low	122 Å²	122	148.7 Å²	148.7	85%	0.853	82%	0.816	S	S	*	*			trans	-108.2	123.3	160.8	65.7	0	0	0	0	110.3
590	S	27.6	Very low	27	Very low	104 Å²	104	148.9 Å²	148.9	73%	0.727	82%	0.816	S	S	*	*			trans	-90.9	131.8	-175.6	-178.5	0	0	0	0	110.7
591	Q	31.6	Very low	26.9	Very low	156 Å²	156	148.6 Å²	148.6	73%	0.729	81%	0.814	S	S	*	*				160.8	124	118.9	-84.8	-170.8	10.5	0	0	113.8
592	K	28.6	Very low	26.7	Very low	174 Å²	174	147.8 Å²	147.8	76%	0.757	82%	0.818	S	S	*	*			trans	36.5	112.2	138.1	-57.8	172.5	-179.2	172.1	0	118.9
593	N	31	Very low	26.8	Very low	166 Å²	166	147 Å²	147	89%	0.888	81%	0.814	S	S	*	*				-164	157.3	94.3	-101.5	-31.3	0	0	0	114
594	K	29.5	Very low	26.8	Very low	190 Å²	190	141.9 Å²	141.9	83%	0.826	81%	0.814	S	S	*	*			trans	-88.9	140.1	-172.2	-57.9	166.4	179.9	172	0	110.9
595	H	31.1	Very low	26.9	Very low	196 Å²	196	147.5 Å²	147.5	91%	0.907	82%	0.819	S	S	*	*			trans	-149.5	131.6	137.1	-102	-77.6	0	0	0	110.1
596	K	26.2	Very low	27	Very low	202 Å²	202	147.3 Å²	147.3	88%	0.878	82%	0.819	S	S	*	*			trans	-88.4	137.3	174.3	-81	180	171.7	-178.9	0	109.5
597	T	29.5	Very low	27.3	Very low	150 Å²	150	146.5 Å²	146.5	92%	0.92	81%	0.81	S	S	*	*			trans	-135.2	112.6	152.7	8	0	0	0	0	108.3
598	S	24.4	Very low	27.5	Very low	117 Å²	117	145.6 Å²	145.6	82%	0.818	81%	0.806	S	S	*	*			trans	-92.2	131.4	179.9	46.2	0	0	0	0	110.7
599	S	26.7	Very low	28	Very low	116 Å²	116	146.1 Å²	146.1	81%	0.811	80%	0.804	S	S	*	*			trans	-118.8	139.7	162.8	55.1	0	0	0	0	110.1
600	I	24.7	Very low	28.2	Very low	156 Å²	156	145.9 Å²	145.9	80%	0.8	80%	0.803	S	S	*	*			trans	-93.5	133.8	-171.4	-64.3	166.8	0	0	0	108.6	V602	I600-V602 HydrophobicContact CG2-CG2 4.13Å
601	I	23.5	Very low	28.3	Very low	134 Å²	134	144.4 Å²	144.4	69%	0.687	80%	0.804	S	S	*	*			trans	-107.3	119.4	167.9	-61.8	176.6	0	0	0	107.4	T603	I601-T603 HydrophobicContact CG2-CG2 4.46Å
602	V	24.2	Very low	28.2	Very low	129 Å²	129	146.8 Å²	146.8	78%	0.782	82%	0.815	S	S	*	*			trans	-93.3	109.1	173.4	-179.5	0	0	0	0	108.4	I600	I600-V602 HydrophobicContact CG2-CG2 4.13Å
603	T	24.8	Very low	28.3	Very low	120 Å²	120	148 Å²	148	74%	0.736	82%	0.82	S	S	*	*			trans	-100.1	107.5	170.6	27	0	0	0	0	110.1	I601 K605	I601-T603 HydrophobicContact CG2-CG2 4.46Å; T603-K605 PolarHBondContact O-N 2.81Å
604	A	25.9	Very low	28	Very low	101 Å²	101	151 Å²	151	84%	0.835	82%	0.819	S	S	*	*			trans	-72.8	110.8	168.8	0	0	0	0	0	109.7
605	K	26.4	Very low	28	Very low	190 Å²	190	150.7 Å²	150.7	83%	0.826	82%	0.82	S	S	*	*			trans	-89	118.9	162.4	-80.6	-177.2	172.9	-179	0	108.4	T603	T603-K605 PolarHBondContact O-N 2.81Å
606	N	28.8	Very low	28.1	Very low	165 Å²	165	146.2 Å²	146.2	88%	0.882	81%	0.811	S	S	*	*			trans	-94.5	123.8	153.7	-102.6	-1.5	0	0	0	108.7
607	P	28.7	Very low	28.2	Very low	100 Å²	100	143.7 Å²	143.7	65%	0.649	81%	0.807	S	S	*	*			trans	-84.1	-177.2	166.5	37.4	-34	0	0	0	110.5
608	L	31.3	Very low	28.3	Very low	158 Å²	158	140 Å²	140	83%	0.827	79%	0.791	S	S	*	*			trans	81.4	130	-177.7	-52.8	156.4	0	0	0	113.1
609	T	34.4	Very low	28.6	Very low	122 Å²	122	139 Å²	139	75%	0.748	78%	0.777	S	S	*	*			cis	-155.3	169.5	-16.5	-6.5	0	0	0	0	108.7
610	S	33.7	Very low	28.7	Very low	117 Å²	117	143 Å²	143	82%	0.818	78%	0.776	S	S	*	*			trans	-37.2	141.2	174.3	53.8	0	0	0	0	117.2
611	G	29.9	Very low	28.9	Very low	73 Å²	73	140.1 Å²	140.1	75%	0.753	76%	0.761	S	S	*	*			trans	127.4	122.1	147.3	0	0	0	0	0	116.1
612	E	30	Very low	29.3	Very low	207 Å²	207	141.4 Å²	141.4	97%	0.967	77%	0.768	S	S	*	*			trans	67.7	152.6	160.9	-63.7	-165.2	107.8	0	0	120.9
613	K	28.7	Very low	29.7	Very low	199 Å²	199	145.8 Å²	145.8	87%	0.865	79%	0.786	S	S	*	*			trans	-94.3	128.7	-171	-59.6	168.2	177.8	174.4	0	110.2
614	R	26.3	Very low	30	Very low	229 Å²	229	147.1 Å²	147.1	86%	0.864	79%	0.789	S	S	*	*			trans	169.6	178.7	138.9	-96.2	160.3	-177.3	-169.5	1.5	109.7
615	H	29.6	Very low	30.2	Very low	183 Å²	183	149.5 Å²	149.5	85%	0.847	79%	0.786	S	S	*	*			trans	73.8	147.7	-179.2	-45.3	-73.8	0	0	0	114.2
616	S	32.6	Very low	30.4	Very low	102 Å²	102	147.2 Å²	147.2	71%	0.713	78%	0.784	S	S	*	*			cis	-168.5	174.2	-24.5	49.1	0	0	0	0	106.7	A618	S616-A618 PolarHBondContact O-N 3.11Å
617	N	28.9	Very low	30.5	Very low	150 Å²	150	146.2 Å²	146.2	80%	0.802	78%	0.778	S	S	*	*			trans	-49.6	129.2	172.3	-63.9	-13.7	0	0	0	111.2
618	A	32	Very low	30.6	Very low	71 Å²	71	149.1 Å²	149.1	59%	0.587	79%	0.786	S	S	*	*			trans	-92.9	94	169.9	0	0	0	0	0	108.5	S616 Y620	S616-A618 PolarHBondContact O-N 3.11Å; A618-Y620 HydrophobicContact CB-CD2 4.39Å; A618-Y620 HydrophobicContact CB-CE2 3.84Å; A618-Y620 WeakPolarHBondContact O-CD2 3.3Å; A618-Y620 PolarHBondContact O-N 3.14Å
619	D	29.6	Very low	30.6	Very low	98 Å²	98	148.5 Å²	148.5	52%	0.524	78%	0.784	S	S	.	*			trans	-65.4	118	167.2	-79.8	-28.2	0	0	0	109.3	H290	H290-D619 VanDerWaalsContact CE1-CB 3.43Å; H290-D619 WeakPolarHBondContact CE1-CB 3.19Å; H290-D619 IonicContact CE1-OD1 2.73Å; H290-D619 PolarHBondContact CE1-OD1 3.26Å; H290-D619 VanDerWaalsContact CE1-OD1 3.22Å; H290-D619 IonicContact CE1-OD2 3.5Å; H290-D619 PolarHBondContact CE1-OD2 3.09Å; H290-D619 IonicContact CG-OD2 2.77Å; H290-D619 IonicContact ND1-OD1 3.82Å; H290-D619 PolarHBondContact ND1-OD1 3.47Å; H290-D619 IonicContact ND1-OD2 3.17Å; H290-D619 PolarHBondContact ND1-OD2 3.19Å
620	Y	29.5	Very low	30.3	Very low	200 Å²	200	150.4 Å²	150.4	78%	0.784	79%	0.786	S	S	*	*			trans	-100.9	101	173.7	-75.7	-84.4	0	0	0	110.3	A618	A618-Y620 HydrophobicContact CB-CD2 4.39Å; A618-Y620 HydrophobicContact CB-CE2 3.84Å; A618-Y620 WeakPolarHBondContact O-CD2 3.3Å; A618-Y620 PolarHBondContact O-N 3.14Å
621	I	27.8	Very low	30	Very low	95 Å²	95	152.9 Å²	152.9	49%	0.487	78%	0.784	S	S	.	*			trans	-76.6	118.8	161.6	-59	169.7	0	0	0	107.3
622	L	32.9	Very low	30.1	Very low	160 Å²	160	159.6 Å²	159.6	84%	0.838	79%	0.786	S	S	*	*			trans	-95.1	141.9	162.4	-126.4	89.9	0	0	0	110
623	L	33	Very low	30.1	Very low	221 Å²	221	155.3 Å²	155.3	100%	1.157	77%	0.77	S	S	*	*			trans	-80.2	0	175.5	-82.1	158.7	0	0	0	111.9

Retrieved 623 of 623 residues in 698.9 ms (Link to these results)

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