A0A087XZT3_POEFO Loading...

Leucine-rich repeat and fibronectin type-III domain-containing protein 2

AlphaFold DB , UniProt , Accession A0A087XZT3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 788 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	55.1	Low	59.7	Low	182 Å²	182	115.9 Å²	115.9	90%	0.897	61%	0.61	S	S	*	*				0	29.9	0	-78	162.1	-89.4	0	0	111.3	V4	M1-V4 PolarHBondContact O-N 3.42Å
2	D	58.6	Low	58.9	Low	118 Å²	118	110.7 Å²	110.7	63%	0.631	61%	0.605	S	S	*	*	H	α-helix	trans	-95.4	-28	-136.6	-37.9	-66	0	0	0	110.6	V4 V5 I6	D2-V4 VanDerWaalsContact C-N 3.25Å; D2-V4 PolarHBondContact O-N 3.16Å; D2-V5 PolarHBondContact O-N 3.42Å; D2-I6 WeakPolarHBondContact O-CB 3.44Å; D2-I6 VanDerWaalsContact O-CG1 3.25Å; D2-I6 WeakPolarHBondContact O-CG1 3.44Å; D2-I6 PolarHBondContact O-N 3.41Å
3	K	58	Low	58.4	Low	181 Å²	181	108.2 Å²	108.2	79%	0.787	61%	0.608	S	S	*	*	H	α-helix	trans	-60.6	-31.4	168.3	-64	-172.8	176.8	-175.1	0	112.8	C7	K3-C7 WeakPolarHBondContact O-CB 3.3Å; K3-C7 PolarHBondContact O-N 2.67Å; K3-C7 PolarHBondContact O-SG 3.11Å
4	V	66	Low	57.5	Low	99 Å²	99	105.9 Å²	105.9	60%	0.6	61%	0.61	S	S	*	*	H	α-helix	trans	-75.2	-41.8	177.1	-176.8	0	0	0	0	110.5	M1 D2 C7 L8	M1-V4 PolarHBondContact O-N 3.42Å; D2-V4 VanDerWaalsContact C-N 3.25Å; D2-V4 PolarHBondContact O-N 3.16Å; V4-C7 PolarHBondContact O-N 2.63Å; V4-L8 HydrophobicContact CG1-CD1 4.13Å; V4-L8 WeakPolarHBondContact O-CB 3.32Å; V4-L8 WeakPolarHBondContact O-CG 3.48Å; V4-L8 PolarHBondContact O-N 2.83Å
5	V	66.4	Low	56.9	Low	80 Å²	80	108.1 Å²	108.1	49%	0.485	61%	0.614	S	S	.	*	H	α-helix	trans	-63	-43.8	174.3	-179.4	0	0	0	0	111	D2 L8 L9	D2-V5 PolarHBondContact O-N 3.42Å; V5-L8 PolarHBondContact O-N 2.96Å; V5-L9 HydrophobicContact CG1-CD1 4.04Å; V5-L9 HydrophobicContact CG1-CG 4.49Å; V5-L9 WeakPolarHBondContact O-CB 3.36Å; V5-L9 WeakPolarHBondContact O-CG 3.47Å; V5-L9 PolarHBondContact O-N 3.47Å
6	I	65.1	Low	56.2	Low	96 Å²	96	108 Å²	108	49%	0.492	62%	0.617	S	S	.	*	H	α-helix	trans	-64.4	-43.4	176.3	-69	164.6	0	0	0	111.1	D2 L8 L9 I10	D2-I6 WeakPolarHBondContact O-CB 3.44Å; D2-I6 VanDerWaalsContact O-CG1 3.25Å; D2-I6 WeakPolarHBondContact O-CG1 3.44Å; D2-I6 PolarHBondContact O-N 3.41Å; I6-L8 VanDerWaalsContact C-N 3.34Å; I6-L8 PolarHBondContact O-N 3Å; I6-L9 PolarHBondContact O-N 2.75Å; I6-I10 HydrophobicContact CG2-CD1 3.75Å; I6-I10 HydrophobicContact CG2-CG1 4.46Å; I6-I10 WeakPolarHBondContact O-CB 3.41Å; I6-I10 VanDerWaalsContact O-CG1 3.3Å; I6-I10 WeakPolarHBondContact O-CG1 3.29Å; I6-I10 PolarHBondContact O-N 3.48Å
7	C	58	Low	55.6	Low	74 Å²	74	109.8 Å²	109.8	50%	0.5	62%	0.621	S	S	.	*	H	α-helix	trans	-62.4	-38.7	173.5	-76.1	0	0	0	0	112.6	K3 V4 I10 L11	K3-C7 WeakPolarHBondContact O-CB 3.3Å; K3-C7 PolarHBondContact O-N 2.67Å; K3-C7 PolarHBondContact O-SG 3.11Å; V4-C7 PolarHBondContact O-N 2.63Å; C7-I10 PolarHBondContact O-N 2.85Å; C7-L11 WeakPolarHBondContact O-CB 3.37Å; C7-L11 PolarHBondContact O-N 2.91Å
8	L	59.8	Low	55.4	Low	114 Å²	114	110.1 Å²	110.1	60%	0.597	63%	0.625	S	S	*	*	H	α-helix	trans	-68.6	-35.7	175.8	-77.2	167.5	0	0	0	112.6	V4 V5 I6 G12	V4-L8 HydrophobicContact CG1-CD1 4.13Å; V4-L8 WeakPolarHBondContact O-CB 3.32Å; V4-L8 WeakPolarHBondContact O-CG 3.48Å; V4-L8 PolarHBondContact O-N 2.83Å; V5-L8 PolarHBondContact O-N 2.96Å; I6-L8 VanDerWaalsContact C-N 3.34Å; I6-L8 PolarHBondContact O-N 3Å; L8-G12 PolarHBondContact O-N 2.87Å
9	L	59	Low	55.7	Low	119 Å²	119	109.3 Å²	109.3	62%	0.623	62%	0.615	S	S	*	*	H	α-helix	trans	-69	-37.5	172.8	-72.8	168.5	0	0	0	112	V5 I6 G12 A13	V5-L9 HydrophobicContact CG1-CD1 4.04Å; V5-L9 HydrophobicContact CG1-CG 4.49Å; V5-L9 WeakPolarHBondContact O-CB 3.36Å; V5-L9 WeakPolarHBondContact O-CG 3.47Å; V5-L9 PolarHBondContact O-N 3.47Å; I6-L9 PolarHBondContact O-N 2.75Å; L9-G12 CarbonylContact O-C 3.57Å; L9-G12 PolarHBondContact O-N 2.71Å; L9-A13 WeakPolarHBondContact O-CB 3.43Å; L9-A13 PolarHBondContact O-N 3.44Å
10	I	57.7	Low	56.3	Low	108 Å²	108	106 Å²	106	55%	0.554	60%	0.602	S	S	*	*	H	α-helix	trans	-71.2	-39.1	175.4	-68.1	168.6	0	0	0	111	I6 C7 A13 A14	I6-I10 HydrophobicContact CG2-CD1 3.75Å; I6-I10 HydrophobicContact CG2-CG1 4.46Å; I6-I10 WeakPolarHBondContact O-CB 3.41Å; I6-I10 VanDerWaalsContact O-CG1 3.3Å; I6-I10 WeakPolarHBondContact O-CG1 3.29Å; I6-I10 PolarHBondContact O-N 3.48Å; C7-I10 PolarHBondContact O-N 2.85Å; I10-A13 PolarHBondContact O-N 3.13Å; I10-A14 WeakPolarHBondContact O-CB 3.39Å; I10-A14 PolarHBondContact O-N 2.72Å
11	L	53	Low	57.7	Low	104 Å²	104	103.2 Å²	103.2	55%	0.545	59%	0.589	S	S	.	*	H	α-helix	trans	-66.6	-37.7	172.2	-85	156.2	0	0	0	112.3	C7 A13 A14 M15	C7-L11 WeakPolarHBondContact O-CB 3.37Å; C7-L11 PolarHBondContact O-N 2.91Å; L11-A13 VanDerWaalsContact C-N 3.27Å; L11-A13 PolarHBondContact O-N 3.11Å; L11-A14 PolarHBondContact O-N 3.2Å; L11-M15 PolarHBondContact O-N 2.66Å
12	G	50.6	Low	59.2	Low	53 Å²	53	94.8 Å²	94.8	55%	0.546	55%	0.548	S	S	.	.	H	α-helix	trans	-74.2	-11.4	172.6	0	0	0	0	0	114.8	L8 L9 M15	L8-G12 PolarHBondContact O-N 2.87Å; L9-G12 CarbonylContact O-C 3.57Å; L9-G12 PolarHBondContact O-N 2.71Å; G12-M15 CarbonylContact C-O 3.43Å
13	A	52.1	Low	60.4	Low	78 Å²	78	98 Å²	98	65%	0.645	56%	0.556	S	S	*	*	H	α-helix	trans	-91.8	-31.7	166.2	0	0	0	0	0	111.7	L9 I10 L11	L9-A13 WeakPolarHBondContact O-CB 3.43Å; L9-A13 PolarHBondContact O-N 3.44Å; I10-A13 PolarHBondContact O-N 3.13Å; L11-A13 VanDerWaalsContact C-N 3.27Å; L11-A13 PolarHBondContact O-N 3.11Å
14	A	45.1	Very low	61.7	Low	77 Å²	77	97 Å²	97	64%	0.636	55%	0.549	S	S	*	.	H	α-helix	trans	-75.8	-24.2	175.6	0	0	0	0	0	113.3	I10 L11	I10-A14 WeakPolarHBondContact O-CB 3.39Å; I10-A14 PolarHBondContact O-N 2.72Å; L11-A14 PolarHBondContact O-N 3.2Å
15	M	49.8	Very low	62.9	Low	138 Å²	138	93 Å²	93	68%	0.68	53%	0.525	S	S	*	.	S	Bend	trans	-122.4	108.9	163.8	-56	-160.8	-152.4	0	0	107.9	L11 G12	L11-M15 PolarHBondContact O-N 2.66Å; G12-M15 CarbonylContact C-O 3.43Å
16	T	45.5	Very low	64.1	Low	107 Å²	107	92.8 Å²	92.8	66%	0.656	52%	0.524	S	S	*	.			cis	-145.6	105.6	37.5	50	0	0	0	0	114.8	V18	T16-V18 HydrophobicContact CG2-CG2 3.78Å; T16-V18 PolarHBondContact O-N 3.42Å
17	M	45.3	Very low	65.3	Low	138 Å²	138	90 Å²	90	68%	0.68	51%	0.512	S	S	*	.			trans	-82.6	53.9	147.8	-86.6	-71.8	-159.7	0	0	109.9	H19	M17-H19 PolarHBondContact O-N 3.19Å; M17-H19 PolarHBondContact O-ND1 2.95Å
18	V	51.7	Low	66.6	Low	116 Å²	116	90.4 Å²	90.4	70%	0.703	51%	0.507	S	S	*	.			trans	-73.6	99.1	170.7	172	0	0	0	0	106.5	T16 A20	T16-V18 HydrophobicContact CG2-CG2 3.78Å; T16-V18 PolarHBondContact O-N 3.42Å; V18-A20 PolarHBondContact O-N 3.2Å
19	H	61.2	Low	67.8	Low	94 Å²	94	90.7 Å²	90.7	44%	0.435	51%	0.509	S	S	.	.			trans	-62	128.6	174.7	-67.2	62.9	0	0	0	107.8	M17 C21	M17-H19 PolarHBondContact O-N 3.19Å; M17-H19 PolarHBondContact O-ND1 2.95Å; H19-C21 PolarHBondContact O-N 3.08Å
20	A	68.3	Low	68.4	Low	43 Å²	43	87.2 Å²	87.2	36%	0.355	49%	0.491	S	S	.	.			trans	-73.2	92.4	-175	0	0	0	0	0	109.3	V18 D49 D51	V18-A20 PolarHBondContact O-N 3.2Å; A20-D49 CarbonylContact C-O 3.39Å; A20-D51 HydrophobicContact CB-CB 4.07Å; A20-D51 PolarHBondContact N-OD2 2.84Å; A20-D51 PolarHBondContact O-N 3Å
21	C	84.6	Confident	68.7	Low	49 Å²	49	87.8 Å²	87.8	33%	0.331	51%	0.505	S	S	.	.			trans	-109.8	118.5	-178.1	-162.6	0	0	0	0	110.7	H19 C27	H19-C21 PolarHBondContact O-N 3.08Å; C21-C27 WeakPolarHBondContact CA-SG 3.41Å; C21-C27 HydrophobicContact CB-CB 3.79Å; C21-C27 WeakPolarHBondContact CB-SG 3.48Å; C21-C27 WeakPolarHBondContact SG-CB 3.03Å; C21-C27 PolarHBondContact SG-N 3Å; C21-C27 CovalentContact SG-SG 2.04Å; C21-C27 PolarHBondContact SG-SG 3.08Å
22	P	88.4	Confident	69.4	Low	5 Å²	5	91.9 Å²	91.9	3%	0.032	52%	0.521	C	S	.	.			trans	-58.9	139.5	178.1	-24.8	32.8	0	0	0	112.3	Y24 C25 P47 D49 I50	P22-Y24 PolarHBondContact O-N 2.93Å; P22-C25 HydrophobicContact CB-CB 4.26Å; P22-C25 PolarHBondContact O-N 3.01Å; P22-P47 HydrophobicContact CB-CB 3.7Å; P22-P47 HydrophobicContact CB-CG 4.21Å; P22-P47 HydrophobicContact CG-CB 3.69Å; P22-P47 HydrophobicContact CG-CG 4.35Å; P22-D49 WeakPolarHBondContact CA-OD2 3.46Å; P22-D49 WeakPolarHBondContact CB-OD1 3.27Å; P22-I50 HydrophobicContact CG-CG1 3.71Å
23	K	83.5	Confident	70.8	Confident	184 Å²	184	90.8 Å²	90.8	80%	0.8	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-21.1	-169.1	-64	-179.5	-173.3	176	0	116.7
24	Y	85.1	Confident	72.4	Confident	160 Å²	160	88.3 Å²	88.3	63%	0.627	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-7.9	-177.9	-54.3	-63.3	0	0	0	113.6	P22 K41 L43	P22-Y24 PolarHBondContact O-N 2.93Å; Y24-K41 WeakPolarHBondContact O-CD 3.16Å; Y24-K41 WeakPolarHBondContact O-CE 3.4Å; Y24-K41 PolarHBondContact O-NZ 3.4Å; Y24-L43 HydrophobicContact CD2-CD2 4.4Å
25	C	90.9	Very high	74.6	Confident	15 Å²	15	84.7 Å²	84.7	10%	0.101	45%	0.451	C	S	.	.	S	Bend	trans	-97.9	169.4	-176.8	-55.4	0	0	0	0	111.8	P22 T36 L37 C38	P22-C25 HydrophobicContact CB-CB 4.26Å; P22-C25 PolarHBondContact O-N 3.01Å; C25-T36 HydrophobicContact CB-CG2 4.38Å; C25-L37 CarbonylContact C-O 3.6Å; C25-L37 WeakPolarHBondContact CA-O 3.31Å; C25-L37 WeakPolarHBondContact CB-O 3.12Å; C25-C38 HydrophobicContact CB-CB 4.07Å; C25-C38 WeakPolarHBondContact CB-SG 3.37Å; C25-C38 WeakPolarHBondContact SG-CB 3.27Å; C25-C38 CovalentContact SG-SG 2.03Å; C25-C38 PolarHBondContact SG-SG 3.29Å
26	V	91.2	Very high	76.7	Confident	77 Å²	77	78.1 Å²	78.1	47%	0.467	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	117	174	179.6	0	0	0	0	107.5	L37	V26-L37 PolarHBondContact N-O 3.08Å; V26-L37 WeakPolarHBondContact O-CB 3.48Å; V26-L37 PolarHBondContact O-N 3.21Å
27	C	90.1	Very high	79	Confident	36 Å²	36	74.5 Å²	74.5	24%	0.243	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.5	176.8	-49	0	0	0	0	108.8	C21 G35	C21-C27 WeakPolarHBondContact CA-SG 3.41Å; C21-C27 HydrophobicContact CB-CB 3.79Å; C21-C27 WeakPolarHBondContact CB-SG 3.48Å; C21-C27 WeakPolarHBondContact SG-CB 3.03Å; C21-C27 PolarHBondContact SG-N 3Å; C21-C27 CovalentContact SG-SG 2.04Å; C21-C27 PolarHBondContact SG-SG 3.08Å; C27-G35 VanDerWaalsContact CA-O 3.31Å; C27-G35 WeakPolarHBondContact CA-O 3.35Å
28	Q	86.4	Confident	81.3	Confident	84 Å²	84	67.9 Å²	67.9	39%	0.393	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	152.9	-173.9	68	-177.9	23.2	0	0	110.6	L30 G35 L37	Q28-L30 HydrophobicContact CG-CD1 3.57Å; Q28-L30 HydrophobicContact CG-CG 4.05Å; Q28-L30 PolarHBondContact O-N 3.34Å; Q28-G35 PolarHBondContact N-O 3.46Å; Q28-G35 PolarHBondContact O-N 3Å; Q28-L37 HydrophobicContact CG-CD1 4.32Å
29	N	83.8	Confident	83.3	Confident	120 Å²	120	65.4 Å²	65.4	64%	0.642	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	104.7	173	-173.1	-31	0	0	0	108.5	E32 S33	N29-E32 VanDerWaalsContact OD1-C 3.28Å; N29-E32 WeakPolarHBondContact OD1-CA 3.33Å; N29-E32 PolarHBondContact OD1-N 3.38Å; N29-S33 CarbonylContact C-O 3.56Å; N29-S33 VanDerWaalsContact CA-O 3.3Å; N29-S33 WeakPolarHBondContact CA-O 3.31Å; N29-S33 PolarHBondContact OD1-N 2.77Å; N29-S33 PolarHBondContact OD1-O 3.38Å
30	L	72.2	Confident	84.8	Confident	46 Å²	46	65.4 Å²	65.4	24%	0.241	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	108	172.7	-69.1	107.3	0	0	0	108.6	Q28 E32 S33	Q28-L30 HydrophobicContact CG-CD1 3.57Å; Q28-L30 HydrophobicContact CG-CG 4.05Å; Q28-L30 PolarHBondContact O-N 3.34Å; L30-E32 VanDerWaalsContact C-N 3.35Å; L30-E32 PolarHBondContact O-N 3.01Å; L30-S33 PolarHBondContact N-O 3.17Å; L30-S33 PolarHBondContact O-N 2.03Å; L30-S33 PolarHBondContact O-OG 2.8Å
31	S	63.8	Low	86	Confident	120 Å²	120	67.8 Å²	67.8	84%	0.839	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	55.3	173.1	48.7	0	0	0	0	113.3	S33	S31-S33 VanDerWaalsContact C-N 3.26Å; S31-S33 PolarHBondContact O-N 3.44Å
32	E	67.9	Low	86.4	Confident	189 Å²	189	67.2 Å²	67.2	88%	0.883	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	-2.5	-179.5	-50.7	-173.8	164.5	0	0	116.1	N29 L30	N29-E32 VanDerWaalsContact OD1-C 3.28Å; N29-E32 WeakPolarHBondContact OD1-CA 3.33Å; N29-E32 PolarHBondContact OD1-N 3.38Å; L30-E32 VanDerWaalsContact C-N 3.35Å; L30-E32 PolarHBondContact O-N 3.01Å
33	S	80.6	Confident	86.7	Confident	31 Å²	31	67.9 Å²	67.9	22%	0.217	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	149.6	175	77.3	0	0	0	0	113	N29 L30 S31	N29-S33 CarbonylContact C-O 3.56Å; N29-S33 VanDerWaalsContact CA-O 3.3Å; N29-S33 WeakPolarHBondContact CA-O 3.31Å; N29-S33 PolarHBondContact OD1-N 2.77Å; N29-S33 PolarHBondContact OD1-O 3.38Å; L30-S33 PolarHBondContact N-O 3.17Å; L30-S33 PolarHBondContact O-N 2.03Å; L30-S33 PolarHBondContact O-OG 2.8Å; S31-S33 VanDerWaalsContact C-N 3.26Å; S31-S33 PolarHBondContact O-N 3.44Å
34	L	85.6	Confident	87.2	Confident	26 Å²	26	64.2 Å²	64.2	14%	0.136	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	114.7	178.8	179.8	62.4	0	0	0	110.9	D51 R53 T54 V55 E56	L34-D51 HydrophobicContact CD2-CB 3.93Å; L34-R53 HydrophobicContact CD2-CB 4.44Å; L34-T54 CarbonylContact O-C 3.59Å; L34-T54 WeakPolarHBondContact O-CA 3.43Å; L34-V55 PolarHBondContact O-N 3.41Å; L34-E56 PolarHBondContact O-N 2.96Å
35	G	91.1	Very high	87.7	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	135.2	173.2	0	0	0	0	0	112.6	C27 Q28 E56	C27-G35 VanDerWaalsContact CA-O 3.31Å; C27-G35 WeakPolarHBondContact CA-O 3.35Å; Q28-G35 PolarHBondContact N-O 3.46Å; Q28-G35 PolarHBondContact O-N 3Å; G35-E56 CarbonylContact C-O 3.41Å; G35-E56 VanDerWaalsContact CA-O 3.32Å; G35-E56 WeakPolarHBondContact CA-O 3.38Å
36	T	93	Very high	87.9	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.006	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	110.2	174.5	-61.4	0	0	0	0	109.7	C25 T54 E56 L57 R58	C25-T36 HydrophobicContact CB-CG2 4.38Å; T36-T54 PolarHBondContact OG1-OG1 3.03Å; T36-E56 PolarHBondContact N-O 3.25Å; T36-L57 HydrophobicContact CG2-CD1 3.89Å; T36-R58 PolarHBondContact O-N 2.94Å
37	L	93.8	Very high	88	Confident	30 Å²	30	59.2 Å²	59.2	16%	0.157	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	107.1	-173.1	-53.5	-178.4	0	0	0	110.7	C25 V26 Q28 R58	C25-L37 CarbonylContact C-O 3.6Å; C25-L37 WeakPolarHBondContact CA-O 3.31Å; C25-L37 WeakPolarHBondContact CB-O 3.12Å; V26-L37 PolarHBondContact N-O 3.08Å; V26-L37 WeakPolarHBondContact O-CB 3.48Å; V26-L37 PolarHBondContact O-N 3.21Å; Q28-L37 HydrophobicContact CG-CD1 4.32Å; L37-R58 HydrophobicContact CD2-CB 3.88Å; L37-R58 HydrophobicContact CD2-CG 3.66Å
38	C	94.3	Very high	88	Confident	0 Å²	0	62 Å²	62	0%	0	35%	0.348	C	S	.	.			trans	-113.9	31.1	178.8	-58.3	0	0	0	0	114.7	C25 K41 L43 R58 L59 N62	C25-C38 HydrophobicContact CB-CB 4.07Å; C25-C38 WeakPolarHBondContact CB-SG 3.37Å; C25-C38 WeakPolarHBondContact SG-CB 3.27Å; C25-C38 CovalentContact SG-SG 2.03Å; C25-C38 PolarHBondContact SG-SG 3.29Å; C38-K41 WeakPolarHBondContact O-CG 3.47Å; C38-L43 HydrophobicContact CB-CD1 3.94Å; C38-R58 CarbonylContact C-O 3.12Å; C38-R58 VanDerWaalsContact CA-O 3.3Å; C38-R58 WeakPolarHBondContact CA-O 3Å; C38-R58 WeakPolarHBondContact CB-O 3.23Å; C38-R58 PolarHBondContact N-O 3.15Å; C38-L59 HydrophobicContact CB-CD2 3.73Å; C38-L59 HydrophobicContact CB-CG 4.49Å; C38-N62 PolarHBondContact O-ND2 3.22Å
39	P	92.9	Very high	88.2	Confident	63 Å²	63	61.4 Å²	61.4	41%	0.409	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	140.1	-172.8	30.8	-36.4	0	0	0	112.8	K41 G60	P39-K41 VanDerWaalsContact C-N 3.35Å; P39-K41 WeakPolarHBondContact O-CD 3.25Å; P39-K41 VanDerWaalsContact O-CE 3.31Å; P39-K41 WeakPolarHBondContact O-CE 3.49Å; P39-K41 WeakPolarHBondContact O-CG 3.4Å; P39-K41 PolarHBondContact O-N 3.06Å; P39-G60 VanDerWaalsContact CA-O 3.29Å; P39-G60 WeakPolarHBondContact CA-O 3.45Å
40	S	93.7	Very high	88.6	Confident	95 Å²	95	56 Å²	56	66%	0.664	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	45.5	172.8	-54.3	0	0	0	0	115.1	G60 G61	S40-G60 PolarHBondContact N-O 3.23Å; S40-G60 VanDerWaalsContact N-O 3.1Å; S40-G61 WeakPolarHBondContact CA-O 3.47Å
41	K	93.5	Very high	89.4	Confident	93 Å²	93	54.5 Å²	54.5	40%	0.404	31%	0.311	S	S	.	.	S	Bend	trans	-99.6	-4.1	-179.7	-56.6	-57.9	178.6	144.3	0	114	Y24 C38 P39 L43 N62	Y24-K41 WeakPolarHBondContact O-CD 3.16Å; Y24-K41 WeakPolarHBondContact O-CE 3.4Å; Y24-K41 PolarHBondContact O-NZ 3.4Å; C38-K41 WeakPolarHBondContact O-CG 3.47Å; P39-K41 VanDerWaalsContact C-N 3.35Å; P39-K41 WeakPolarHBondContact O-CD 3.25Å; P39-K41 VanDerWaalsContact O-CE 3.31Å; P39-K41 WeakPolarHBondContact O-CE 3.49Å; P39-K41 WeakPolarHBondContact O-CG 3.4Å; P39-K41 PolarHBondContact O-N 3.06Å; K41-L43 HydrophobicContact CB-CD1 4.39Å; K41-L43 HydrophobicContact CB-CD2 4.45Å; K41-L43 HydrophobicContact CB-CG 4.01Å; K41-N62 WeakPolarHBondContact CA-OD1 3.44Å; K41-N62 PolarHBondContact N-OD1 3.44Å
42	G	93.6	Very high	90.8	Very high	36 Å²	36	52 Å²	52	37%	0.371	28%	0.283	S	S	.	.			trans	74.2	25.1	-177.4	0	0	0	0	0	114.1	N62	G42-N62 PolarHBondContact N-OD1 3Å
43	L	94.3	Very high	91.8	Very high	20 Å²	20	49.1 Å²	49.1	11%	0.105	26%	0.264	C	S	.	.			trans	-66.1	133.5	-179.3	-59	169.9	0	0	0	111.1	Y24 C38 K41 P47 L59 N62 F63 I64	Y24-L43 HydrophobicContact CD2-CD2 4.4Å; C38-L43 HydrophobicContact CB-CD1 3.94Å; K41-L43 HydrophobicContact CB-CD1 4.39Å; K41-L43 HydrophobicContact CB-CD2 4.45Å; K41-L43 HydrophobicContact CB-CG 4.01Å; L43-P47 HydrophobicContact CD1-CG 3.79Å; L43-P47 HydrophobicContact CD2-CG 4.29Å; L43-L59 HydrophobicContact CD1-CD2 4Å; L43-N62 HydrophobicContact CB-CB 4.05Å; L43-N62 PolarHBondContact N-OD1 2.87Å; L43-F63 CarbonylContact O-C 3.56Å; L43-F63 WeakPolarHBondContact O-CA 3.43Å; L43-F63 PolarHBondContact O-N 2.79Å; L43-I64 PolarHBondContact O-N 3.48Å
44	L	93.9	Very high	92.3	Very high	107 Å²	107	47.6 Å²	47.6	56%	0.56	25%	0.254	S	S	*	.	S	Bend	trans	-92.3	-13.9	177.4	-62.7	171.8	0	0	0	113.2	F63	L44-F63 HydrophobicContact CD2-CB 4.05Å
45	F	94.8	Very high	92.7	Very high	134 Å²	134	48.5 Å²	48.5	59%	0.588	26%	0.26	S	S	*	.	S	Bend	trans	-153.9	161.3	-176.2	51.4	-93	0	0	0	109.1
46	V	95.4	Very high	92.8	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.036	27%	0.265	C	S	.	.			trans	-66.4	127.9	174.1	-178.9	0	0	0	0	109.2	I50 L59 I64 D71 F72	V46-I50 HydrophobicContact CG1-CD1 3.8Å; V46-L59 HydrophobicContact CG1-CD1 3.97Å; V46-L59 HydrophobicContact CG2-CD1 4.24Å; V46-I64 HydrophobicContact CG2-CD1 4.18Å; V46-I64 HydrophobicContact CG2-CG2 4.46Å; V46-D71 HydrophobicContact CB-CB 3.84Å; V46-D71 HydrophobicContact CG1-CB 4.02Å; V46-D71 HydrophobicContact CG2-CB 3.94Å; V46-D71 WeakPolarHBondContact CG2-OD2 3.44Å; V46-F72 HydrophobicContact CG1-CE1 3.92Å; V46-F72 HydrophobicContact CG1-CZ 4.31Å; V46-F72 HydrophobicContact CG2-CE1 4.29Å; V46-F72 HydrophobicContact CG2-CZ 3.83Å
47	P	93.4	Very high	93	Very high	7 Å²	7	49.5 Å²	49.5	5%	0.045	27%	0.265	C	S	.	.			trans	-59.7	128.6	179.8	-24.2	33.2	0	0	0	112	P22 L43 D49 I50	P22-P47 HydrophobicContact CB-CB 3.7Å; P22-P47 HydrophobicContact CB-CG 4.21Å; P22-P47 HydrophobicContact CG-CB 3.69Å; P22-P47 HydrophobicContact CG-CG 4.35Å; L43-P47 HydrophobicContact CD1-CG 3.79Å; L43-P47 HydrophobicContact CD2-CG 4.29Å; P47-D49 WeakPolarHBondContact CB-OD1 3.49Å; P47-D49 PolarHBondContact O-N 3.19Å; P47-I50 HydrophobicContact CB-CD1 4.41Å; P47-I50 HydrophobicContact CB-CG1 4.24Å; P47-I50 VanDerWaalsContact O-CD1 3.26Å; P47-I50 WeakPolarHBondContact O-CD1 3.29Å; P47-I50 WeakPolarHBondContact O-CG1 3.36Å
48	P	90.3	Very high	93.1	Very high	95 Å²	95	53.4 Å²	53.4	62%	0.617	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-20.4	-177.7	29.9	-35.5	0	0	0	112.9	I50 R52	P48-I50 VanDerWaalsContact C-N 3.33Å; P48-I50 PolarHBondContact O-N 3.27Å; P48-R52 PolarHBondContact O-NH2 2.81Å
49	D	90.3	Very high	93.1	Very high	70 Å²	70	53.4 Å²	53.4	37%	0.374	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	27.9	-173.7	56	-24.7	0	0	0	114.3	A20 P22 P47	A20-D49 CarbonylContact C-O 3.39Å; P22-D49 WeakPolarHBondContact CA-OD2 3.46Å; P22-D49 WeakPolarHBondContact CB-OD1 3.27Å; P47-D49 WeakPolarHBondContact CB-OD1 3.49Å; P47-D49 PolarHBondContact O-N 3.19Å
50	I	91.4	Very high	93.3	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.031	26%	0.262	C	S	.	.			trans	-77.8	133.8	173.3	-64.4	166.2	0	0	0	110.9	P22 V46 P47 P48 R52 L57 M75	P22-I50 HydrophobicContact CG-CG1 3.71Å; V46-I50 HydrophobicContact CG1-CD1 3.8Å; P47-I50 HydrophobicContact CB-CD1 4.41Å; P47-I50 HydrophobicContact CB-CG1 4.24Å; P47-I50 VanDerWaalsContact O-CD1 3.26Å; P47-I50 WeakPolarHBondContact O-CD1 3.29Å; P47-I50 WeakPolarHBondContact O-CG1 3.36Å; P48-I50 VanDerWaalsContact C-N 3.33Å; P48-I50 PolarHBondContact O-N 3.27Å; I50-R52 PolarHBondContact O-N 3.47Å; I50-L57 HydrophobicContact CD1-CD1 4.05Å; I50-L57 HydrophobicContact CD1-CD2 4.06Å; I50-M75 HydrophobicContact CG2-CE 3.83Å; I50-M75 HydrophobicContact CG2-SD 4.33Å
51	D	90.5	Very high	93.4	Very high	15 Å²	15	47.4 Å²	47.4	8%	0.08	24%	0.242	C	C	.	.			trans	-61.7	120.6	169.4	-160	-46.3	0	0	0	110.9	A20 L34 R53 T54	A20-D51 HydrophobicContact CB-CB 4.07Å; A20-D51 PolarHBondContact N-OD2 2.84Å; A20-D51 PolarHBondContact O-N 3Å; L34-D51 HydrophobicContact CD2-CB 3.93Å; D51-R53 PolarHBondContact O-N 3.05Å; D51-R53 VanDerWaalsContact O-N 3.07Å; D51-R53 WeakPolarHBondContact OD1-CB 3.5Å; D51-R53 IonicContact OD1-CZ 3.45Å; D51-R53 PolarHBondContact OD1-N 2.98Å; D51-R53 VanDerWaalsContact OD1-N 3.13Å; D51-R53 IonicContact OD1-NE 3.25Å; D51-R53 PolarHBondContact OD1-NE 2.94Å; D51-R53 IonicContact OD1-NH2 3.72Å; D51-R53 IonicContact OD2-CZ 3.64Å; D51-R53 IonicContact OD2-NE 2.86Å; D51-R53 IonicContact OD2-NH2 3.56Å; D51-R53 PolarHBondContact OD2-NH2 2.82Å; D51-T54 WeakPolarHBondContact O-CB 3.49Å; D51-T54 PolarHBondContact O-N 2.97Å; D51-T54 VanDerWaalsContact O-N 3.08Å; D51-T54 PolarHBondContact O-OG1 3.43Å
52	R	91.6	Very high	93.5	Very high	69 Å²	69	43.1 Å²	43.1	26%	0.26	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-4.6	-175.1	-56	-62.7	167	161.8	-16.8	113.7	P48 I50 D71 A73 M75	P48-R52 PolarHBondContact O-NH2 2.81Å; I50-R52 PolarHBondContact O-N 3.47Å; R52-D71 PolarHBondContact NH1-O 2.94Å; R52-D71 PolarHBondContact NH2-O 3.22Å; R52-A73 WeakPolarHBondContact CD-O 3.29Å; R52-A73 PolarHBondContact NH1-O 2.86Å; R52-M75 HydrophobicContact CB-CG 4.37Å
53	R	89.6	Confident	93.7	Very high	127 Å²	127	46.9 Å²	46.9	48%	0.479	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	6.1	172.6	-55.1	169.6	-65	166.5	6	113.2	L34 D51 V55	L34-R53 HydrophobicContact CD2-CB 4.44Å; D51-R53 PolarHBondContact O-N 3.05Å; D51-R53 VanDerWaalsContact O-N 3.07Å; D51-R53 WeakPolarHBondContact OD1-CB 3.5Å; D51-R53 IonicContact OD1-CZ 3.45Å; D51-R53 PolarHBondContact OD1-N 2.98Å; D51-R53 VanDerWaalsContact OD1-N 3.13Å; D51-R53 IonicContact OD1-NE 3.25Å; D51-R53 PolarHBondContact OD1-NE 2.94Å; D51-R53 IonicContact OD1-NH2 3.72Å; D51-R53 IonicContact OD2-CZ 3.64Å; D51-R53 IonicContact OD2-NE 2.86Å; D51-R53 IonicContact OD2-NH2 3.56Å; D51-R53 PolarHBondContact OD2-NH2 2.82Å; R53-V55 PolarHBondContact O-N 3.39Å
54	T	91.3	Very high	93.8	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.			trans	-65	128.1	176.1	-69.8	0	0	0	0	111.2	L34 T36 D51 E56 L57 M75 L78	L34-T54 CarbonylContact O-C 3.59Å; L34-T54 WeakPolarHBondContact O-CA 3.43Å; T36-T54 PolarHBondContact OG1-OG1 3.03Å; D51-T54 WeakPolarHBondContact O-CB 3.49Å; D51-T54 PolarHBondContact O-N 2.97Å; D51-T54 VanDerWaalsContact O-N 3.08Å; D51-T54 PolarHBondContact O-OG1 3.43Å; T54-E56 WeakPolarHBondContact CG2-O 3.43Å; T54-L57 HydrophobicContact CG2-CB 4.12Å; T54-M75 HydrophobicContact CG2-CE 4.45Å; T54-L78 HydrophobicContact CG2-CD1 4.25Å; T54-L78 WeakPolarHBondContact O-CA 3.49Å; T54-L78 WeakPolarHBondContact O-CD1 3.41Å
55	V	94	Very high	93.9	Very high	44 Å²	44	45.6 Å²	45.6	27%	0.267	22%	0.223	S	C	.	.	S	Bend	trans	-94.5	-27.4	179.6	-178.8	0	0	0	0	111.6	L34 R53 G77 V79 D80	L34-V55 PolarHBondContact O-N 3.41Å; R53-V55 PolarHBondContact O-N 3.39Å; V55-G77 WeakPolarHBondContact CA-O 3Å; V55-V79 HydrophobicContact CG1-CB 4.04Å; V55-V79 HydrophobicContact CG1-CG2 3.84Å; V55-V79 PolarHBondContact O-N 3.08Å; V55-D80 PolarHBondContact O-N 3.08Å
56	E	94.3	Very high	94	Very high	23 Å²	23	44.7 Å²	44.7	11%	0.107	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	116.5	-179.4	-176.1	-169.5	162.3	0	0	110.1	L34 G35 T36 T54 R58 D80	L34-E56 PolarHBondContact O-N 2.96Å; G35-E56 CarbonylContact C-O 3.41Å; G35-E56 VanDerWaalsContact CA-O 3.32Å; G35-E56 WeakPolarHBondContact CA-O 3.38Å; T36-E56 PolarHBondContact N-O 3.25Å; T54-E56 WeakPolarHBondContact CG2-O 3.43Å; E56-R58 HydrophobicContact CG-CG 4.48Å; E56-R58 IonicContact OE1-CZ 3.36Å; E56-R58 IonicContact OE1-NE 3.98Å; E56-R58 PolarHBondContact OE1-NE 2.6Å; E56-R58 IonicContact OE1-NH2 3.34Å; E56-R58 PolarHBondContact OE1-NH2 3.01Å; E56-D80 HydrophobicContact CG-CB 4.37Å
57	L	95.3	Very high	94.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	105.9	-176.3	179.4	54.9	0	0	0	111.5	T36 I50 T54 L59 F72 M75 L78 D80 L81 T82	T36-L57 HydrophobicContact CG2-CD1 3.89Å; I50-L57 HydrophobicContact CD1-CD1 4.05Å; I50-L57 HydrophobicContact CD1-CD2 4.06Å; T54-L57 HydrophobicContact CG2-CB 4.12Å; L57-L59 HydrophobicContact CD1-CD1 4.09Å; L57-L59 HydrophobicContact CD1-CG 4.02Å; L57-L59 HydrophobicContact CD2-CD1 3.88Å; L57-L59 HydrophobicContact CG-CD1 3.83Å; L57-L59 HydrophobicContact CG-CG 4.13Å; L57-F72 HydrophobicContact CD2-CD1 4Å; L57-F72 HydrophobicContact CD2-CE1 3.71Å; L57-M75 HydrophobicContact CD2-CE 4.16Å; L57-M75 HydrophobicContact CD2-SD 4.44Å; L57-L78 HydrophobicContact CB-CD1 3.66Å; L57-D80 PolarHBondContact N-O 3.17Å; L57-L81 HydrophobicContact CB-CD1 4.13Å; L57-L81 HydrophobicContact CD2-CD1 3.98Å; L57-L81 HydrophobicContact CG-CD1 4.01Å; L57-T82 PolarHBondContact O-N 3.32Å
58	R	95.8	Very high	94.2	Very high	112 Å²	112	45.3 Å²	45.3	42%	0.423	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	102.6	179.2	-57.3	-159.3	-162.6	-155.9	-0.4	112.3	T36 L37 C38 E56	T36-R58 PolarHBondContact O-N 2.94Å; L37-R58 HydrophobicContact CD2-CB 3.88Å; L37-R58 HydrophobicContact CD2-CG 3.66Å; C38-R58 CarbonylContact C-O 3.12Å; C38-R58 VanDerWaalsContact CA-O 3.3Å; C38-R58 WeakPolarHBondContact CA-O 3Å; C38-R58 WeakPolarHBondContact CB-O 3.23Å; C38-R58 PolarHBondContact N-O 3.15Å; E56-R58 HydrophobicContact CG-CG 4.48Å; E56-R58 IonicContact OE1-CZ 3.36Å; E56-R58 IonicContact OE1-NE 3.98Å; E56-R58 PolarHBondContact OE1-NE 2.6Å; E56-R58 IonicContact OE1-NH2 3.34Å; E56-R58 PolarHBondContact OE1-NH2 3.01Å
59	L	96.2	Very high	94.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.209	C	C	.	.			trans	-107.4	11.1	178.8	-74.6	160.8	0	0	0	113.2	C38 L43 V46 L57 N62 I64 F72 T82 L83 N86	C38-L59 HydrophobicContact CB-CD2 3.73Å; C38-L59 HydrophobicContact CB-CG 4.49Å; L43-L59 HydrophobicContact CD1-CD2 4Å; V46-L59 HydrophobicContact CG1-CD1 3.97Å; V46-L59 HydrophobicContact CG2-CD1 4.24Å; L57-L59 HydrophobicContact CD1-CD1 4.09Å; L57-L59 HydrophobicContact CD1-CG 4.02Å; L57-L59 HydrophobicContact CD2-CD1 3.88Å; L57-L59 HydrophobicContact CG-CD1 3.83Å; L57-L59 HydrophobicContact CG-CG 4.13Å; L59-N62 PolarHBondContact O-ND2 3.35Å; L59-I64 HydrophobicContact CB-CD1 4.16Å; L59-I64 HydrophobicContact CD2-CD1 4.35Å; L59-F72 HydrophobicContact CD1-CE1 3.98Å; L59-F72 HydrophobicContact CD1-CZ 4.22Å; L59-T82 CarbonylContact C-O 3.57Å; L59-T82 WeakPolarHBondContact CA-O 3.26Å; L59-T82 PolarHBondContact N-O 3.18Å; L59-L83 HydrophobicContact CB-CD2 3.86Å; L59-L83 HydrophobicContact CD1-CD2 3.97Å; L59-N86 PolarHBondContact O-ND2 3.49Å
60	G	95.2	Very high	94.6	Very high	8 Å²	8	47.3 Å²	47.3	8%	0.082	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	152.1	-173.5	0	0	0	0	0	115.9	P39 S40 N62 T82 S84	P39-G60 VanDerWaalsContact CA-O 3.29Å; P39-G60 WeakPolarHBondContact CA-O 3.45Å; S40-G60 PolarHBondContact N-O 3.23Å; S40-G60 VanDerWaalsContact N-O 3.1Å; G60-N62 PolarHBondContact O-ND2 3.49Å; G60-T82 PolarHBondContact N-O 2.81Å; G60-S84 CarbonylContact C-O 3.5Å; G60-S84 WeakPolarHBondContact CA-O 3.49Å
61	G	96.1	Very high	94.8	Very high	24 Å²	24	48 Å²	48	25%	0.247	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	21.7	179.3	0	0	0	0	0	114.8	S40 S84 R85	S40-G61 WeakPolarHBondContact CA-O 3.47Å; G61-S84 PolarHBondContact N-O 3.29Å; G61-R85 CarbonylContact C-O 3.59Å; G61-R85 WeakPolarHBondContact CA-O 3.23Å; G61-R85 PolarHBondContact N-O 2.78Å
62	N	96.8	Very high	95.1	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	23%	0.225	C	C	.	.	S	Bend	trans	-105	-164.9	179	-72.5	-71	0	0	0	111	C38 K41 G42 L43 L59 G60 I64 R85 N86	C38-N62 PolarHBondContact O-ND2 3.22Å; K41-N62 WeakPolarHBondContact CA-OD1 3.44Å; K41-N62 PolarHBondContact N-OD1 3.44Å; G42-N62 PolarHBondContact N-OD1 3Å; L43-N62 HydrophobicContact CB-CB 4.05Å; L43-N62 PolarHBondContact N-OD1 2.87Å; L59-N62 PolarHBondContact O-ND2 3.35Å; G60-N62 PolarHBondContact O-ND2 3.49Å; N62-I64 HydrophobicContact CB-CG1 4.33Å; N62-R85 PolarHBondContact N-O 3.1Å; N62-N86 WeakPolarHBondContact CA-OD1 3.11Å; N62-N86 WeakPolarHBondContact CB-OD1 3.39Å; N62-N86 PolarHBondContact N-OD1 3.27Å; N62-N86 WeakPolarHBondContact O-CA 3.39Å; N62-N86 PolarHBondContact O-OD1 3.04Å
63	F	97.3	Very high	95.2	Very high	115 Å²	115	45.6 Å²	45.6	50%	0.504	23%	0.226	S	C	.	.			trans	-123.2	37	-179.3	-55.5	-59.8	0	0	0	111	L43 L44 L65 N86 T87	L43-F63 CarbonylContact O-C 3.56Å; L43-F63 WeakPolarHBondContact O-CA 3.43Å; L43-F63 PolarHBondContact O-N 2.79Å; L44-F63 HydrophobicContact CD2-CB 4.05Å; F63-L65 PolarHBondContact O-N 3.34Å; F63-N86 PolarHBondContact N-OD1 3.45Å; F63-T87 HydrophobicContact CD1-CG2 4.5Å; F63-T87 PolarHBondContact O-OG1 2.85Å
64	I	97.1	Very high	95.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.			trans	-64.7	129.2	177.4	-59.7	170.3	0	0	0	108	L43 V46 L59 N62 K66 L83 N86 T87 I88	L43-I64 PolarHBondContact O-N 3.48Å; V46-I64 HydrophobicContact CG2-CD1 4.18Å; V46-I64 HydrophobicContact CG2-CG2 4.46Å; L59-I64 HydrophobicContact CB-CD1 4.16Å; L59-I64 HydrophobicContact CD2-CD1 4.35Å; N62-I64 HydrophobicContact CB-CG1 4.33Å; I64-K66 WeakPolarHBondContact CG2-O 3.41Å; I64-L83 HydrophobicContact CD1-CD2 4.23Å; I64-N86 HydrophobicContact CB-CB 4.4Å; I64-N86 WeakPolarHBondContact CB-OD1 3.24Å; I64-N86 WeakPolarHBondContact CG1-OD1 3.23Å; I64-N86 PolarHBondContact N-OD1 3.46Å; I64-T87 CarbonylContact O-C 3.27Å; I64-T87 WeakPolarHBondContact O-CA 3.27Å; I64-T87 PolarHBondContact O-N 2.98Å; I64-T87 PolarHBondContact O-OG1 3.2Å; I64-I88 HydrophobicContact CB-CG1 4.27Å; I64-I88 HydrophobicContact CG2-CD1 4.49Å; I64-I88 HydrophobicContact CG2-CG1 4.09Å; I64-I88 PolarHBondContact O-N 3.34Å
65	L	95.8	Very high	95.6	Very high	100 Å²	100	44.8 Å²	44.8	52%	0.524	23%	0.231	S	C	.	.			trans	-94.9	-29.2	-173.8	-70.7	169	0	0	0	113.9	F63 I88 S89	F63-L65 PolarHBondContact O-N 3.34Å; L65-I88 WeakPolarHBondContact O-CA 3.4Å; L65-S89 PolarHBondContact O-N 2.92Å; L65-S89 PolarHBondContact O-OG 2.92Å
66	K	96.4	Very high	95.5	Very high	114 Å²	114	46.1 Å²	46.1	50%	0.496	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	160.2	178.8	61.7	169.9	-174.1	164.4	0	110.4	I64 T68 S90	I64-K66 WeakPolarHBondContact CG2-O 3.41Å; K66-T68 HydrophobicContact CD-CG2 4.26Å; K66-T68 HydrophobicContact CG-CG2 4.37Å; K66-S90 VanDerWaalsContact CA-O 3.29Å; K66-S90 WeakPolarHBondContact CA-O 3.24Å; K66-S90 WeakPolarHBondContact CB-O 3.45Å
67	V	97.1	Very high	95.4	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	140.1	167.2	174.7	0	0	0	0	109.4	D71 F72 L83 I88 S90 I91 Q92 F96	V67-D71 WeakPolarHBondContact CA-OD2 3.48Å; V67-F72 HydrophobicContact CG1-CD2 3.94Å; V67-F72 HydrophobicContact CG1-CE2 3.58Å; V67-F72 HydrophobicContact CG2-CE2 4.28Å; V67-L83 HydrophobicContact CG2-CD1 4.11Å; V67-I88 HydrophobicContact CG2-CD1 4.17Å; V67-I88 HydrophobicContact CG2-CG2 4.33Å; V67-S90 PolarHBondContact N-O 3.35Å; V67-I91 HydrophobicContact CB-CG1 4.29Å; V67-I91 HydrophobicContact CB-CG2 4.42Å; V67-I91 HydrophobicContact CG2-CG1 4.43Å; V67-Q92 WeakPolarHBondContact O-CB 3.03Å; V67-Q92 PolarHBondContact O-N 3.11Å; V67-Q92 VanDerWaalsContact O-N 3.15Å; V67-F96 HydrophobicContact CG1-CE1 4.13Å; V67-F96 HydrophobicContact CG1-CZ 4.32Å
68	T	96.5	Very high	95.4	Very high	26 Å²	26	46.5 Å²	46.5	16%	0.16	25%	0.249	C	C	.	.			trans	-122.7	158.7	177.5	91	0	0	0	0	112.6	K66 Q70 D71 S95	K66-T68 HydrophobicContact CD-CG2 4.26Å; K66-T68 HydrophobicContact CG-CG2 4.37Å; T68-Q70 PolarHBondContact O-N 2.78Å; T68-Q70 PolarHBondContact OG1-N 3.46Å; T68-D71 PolarHBondContact N-OD2 3.19Å; T68-D71 WeakPolarHBondContact O-CB 3.5Å; T68-D71 PolarHBondContact O-N 2.83Å; T68-D71 PolarHBondContact OG1-OD1 2.82Å; T68-S95 VanDerWaalsContact C-OG 3.27Å
69	T	95	Very high	95.4	Very high	53 Å²	53	43.3 Å²	43.3	33%	0.325	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-9.7	179.4	53.9	0	0	0	0	114.8	Q92 P93 S95	T69-Q92 HydrophobicContact CG2-CG 4.12Å; T69-Q92 PolarHBondContact OG1-NE2 2.96Å; T69-Q92 VanDerWaalsContact OG1-NE2 3.13Å; T69-P93 WeakPolarHBondContact CG2-O 3.36Å; T69-S95 PolarHBondContact N-OG 3.05Å
70	Q	94.3	Very high	95.4	Very high	154 Å²	154	45.1 Å²	45.1	72%	0.72	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-15.1	175.1	-63.9	-173.9	-6.4	0	0	112.9	T68	T68-Q70 PolarHBondContact O-N 2.78Å; T68-Q70 PolarHBondContact OG1-N 3.46Å
71	D	95.6	Very high	95.5	Very high	21 Å²	21	44.8 Å²	44.8	11%	0.112	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-56.3	-173.6	-61.5	0.4	0	0	0	109.7	V46 R52 V67 T68	V46-D71 HydrophobicContact CB-CB 3.84Å; V46-D71 HydrophobicContact CG1-CB 4.02Å; V46-D71 HydrophobicContact CG2-CB 3.94Å; V46-D71 WeakPolarHBondContact CG2-OD2 3.44Å; R52-D71 PolarHBondContact NH1-O 2.94Å; R52-D71 PolarHBondContact NH2-O 3.22Å; V67-D71 WeakPolarHBondContact CA-OD2 3.48Å; T68-D71 PolarHBondContact N-OD2 3.19Å; T68-D71 WeakPolarHBondContact O-CB 3.5Å; T68-D71 PolarHBondContact O-N 2.83Å; T68-D71 PolarHBondContact OG1-OD1 2.82Å
72	F	95.9	Very high	95.6	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	24%	0.241	C	C	.	.	S	Bend	trans	-105.8	9.2	-174.3	-51.3	-58.9	0	0	0	114.5	V46 L57 L59 V67 N74 M75 L81 L83 F96 L99	V46-F72 HydrophobicContact CG1-CE1 3.92Å; V46-F72 HydrophobicContact CG1-CZ 4.31Å; V46-F72 HydrophobicContact CG2-CE1 4.29Å; V46-F72 HydrophobicContact CG2-CZ 3.83Å; L57-F72 HydrophobicContact CD2-CD1 4Å; L57-F72 HydrophobicContact CD2-CE1 3.71Å; L59-F72 HydrophobicContact CD1-CE1 3.98Å; L59-F72 HydrophobicContact CD1-CZ 4.22Å; V67-F72 HydrophobicContact CG1-CD2 3.94Å; V67-F72 HydrophobicContact CG1-CE2 3.58Å; V67-F72 HydrophobicContact CG2-CE2 4.28Å; F72-N74 PolarHBondContact O-N 3.16Å; F72-M75 HydrophobicContact CD1-SD 4.32Å; F72-M75 WeakPolarHBondContact O-CB 3.2Å; F72-M75 WeakPolarHBondContact O-CG 3.45Å; F72-M75 PolarHBondContact O-N 2.86Å; F72-L81 HydrophobicContact CD1-CD2 4.33Å; F72-L81 HydrophobicContact CD2-CD2 4.21Å; F72-L81 HydrophobicContact CE1-CD1 3.86Å; F72-L81 HydrophobicContact CE1-CD2 4.18Å; F72-L81 HydrophobicContact CE2-CD2 4.04Å; F72-L81 HydrophobicContact CG-CD2 4.36Å; F72-L81 HydrophobicContact CZ-CD1 4.04Å; F72-L81 HydrophobicContact CZ-CD2 4.04Å; F72-L83 HydrophobicContact CE2-CD1 4.15Å; F72-L83 HydrophobicContact CZ-CD1 4.05Å; F72-L83 HydrophobicContact CZ-CD2 4.22Å; F72-F96 AromaticContact CD2-CD1 3.92Å; F72-F96 HydrophobicContact CD2-CD1 3.92Å; F72-F96 AromaticContact CD2-CE1 3.69Å; F72-F96 HydrophobicContact CD2-CE1 3.69Å; F72-F96 HydrophobicContact CE2-CD1 4.49Å; F72-F96 AromaticContact CE2-CE1 3.8Å; F72-F96 HydrophobicContact CE2-CE1 3.8Å; F72-L99 HydrophobicContact CB-CD1 4.12Å; F72-L99 HydrophobicContact CB-CD2 4.2Å; F72-L99 HydrophobicContact CB-CG 4.47Å
73	A	94.6	Very high	95.7	Very high	32 Å²	32	44.4 Å²	44.4	26%	0.264	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	138.6	178.2	0	0	0	0	0	112.8	R52 M75 D98	R52-A73 WeakPolarHBondContact CD-O 3.29Å; R52-A73 PolarHBondContact NH1-O 2.86Å; A73-M75 PolarHBondContact O-N 2.93Å; A73-D98 WeakPolarHBondContact CA-OD2 3.36Å
74	N	94	Very high	95.7	Very high	109 Å²	109	39.1 Å²	39.1	58%	0.583	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	30.1	178.1	-165.9	37	0	0	0	114.8	F72 T76 D98	F72-N74 PolarHBondContact O-N 3.16Å; N74-T76 PolarHBondContact O-N 3.37Å; N74-D98 PolarHBondContact N-OD2 2.94Å
75	M	94.1	Very high	95.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.243	C	C	.	.			trans	-97.5	49.9	176.1	-63.2	-167.2	66.4	0	0	112.4	I50 R52 T54 L57 F72 A73 G77 L78 L99	I50-M75 HydrophobicContact CG2-CE 3.83Å; I50-M75 HydrophobicContact CG2-SD 4.33Å; R52-M75 HydrophobicContact CB-CG 4.37Å; T54-M75 HydrophobicContact CG2-CE 4.45Å; L57-M75 HydrophobicContact CD2-CE 4.16Å; L57-M75 HydrophobicContact CD2-SD 4.44Å; F72-M75 HydrophobicContact CD1-SD 4.32Å; F72-M75 WeakPolarHBondContact O-CB 3.2Å; F72-M75 WeakPolarHBondContact O-CG 3.45Å; F72-M75 PolarHBondContact O-N 2.86Å; A73-M75 PolarHBondContact O-N 2.93Å; M75-G77 PolarHBondContact O-N 3.16Å; M75-L78 HydrophobicContact CB-CB 4.31Å; M75-L78 HydrophobicContact CE-CD1 4.32Å; M75-L78 HydrophobicContact CE-CD2 4.4Å; M75-L78 VanDerWaalsContact O-CB 3.3Å; M75-L78 WeakPolarHBondContact O-CB 3.46Å; M75-L78 PolarHBondContact O-N 2.03Å; M75-L99 HydrophobicContact CB-CD2 3.77Å
76	T	92.6	Very high	95.8	Very high	73 Å²	73	41.5 Å²	41.5	45%	0.448	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-4.8	-170.6	55.7	0	0	0	0	115.8	N74 D98 T101	N74-T76 PolarHBondContact O-N 3.37Å; T76-D98 WeakPolarHBondContact CA-O 3.47Å; T76-D98 HydrophobicContact CG2-CB 4.46Å; T76-D98 WeakPolarHBondContact CG2-O 3.49Å; T76-T101 VanDerWaalsContact O-CG2 3.26Å; T76-T101 WeakPolarHBondContact O-CG2 3.45Å; T76-T101 PolarHBondContact O-OG1 3.04Å
77	G	92	Very high	95.9	Very high	30 Å²	30	37.4 Å²	37.4	31%	0.309	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	5.4	174.4	0	0	0	0	0	114.6	V55 M75	V55-G77 WeakPolarHBondContact CA-O 3Å; M75-G77 PolarHBondContact O-N 3.16Å
78	L	95.2	Very high	95.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.205	C	C	.	.			trans	-74.9	129.5	-178.8	-171.2	67.4	0	0	0	110.6	T54 L57 M75 L81 L99 T101 L102	T54-L78 HydrophobicContact CG2-CD1 4.25Å; T54-L78 WeakPolarHBondContact O-CA 3.49Å; T54-L78 WeakPolarHBondContact O-CD1 3.41Å; L57-L78 HydrophobicContact CB-CD1 3.66Å; M75-L78 HydrophobicContact CB-CB 4.31Å; M75-L78 HydrophobicContact CE-CD1 4.32Å; M75-L78 HydrophobicContact CE-CD2 4.4Å; M75-L78 VanDerWaalsContact O-CB 3.3Å; M75-L78 WeakPolarHBondContact O-CB 3.46Å; M75-L78 PolarHBondContact O-N 2.03Å; L78-L81 HydrophobicContact CD2-CB 4.15Å; L78-L81 HydrophobicContact CD2-CD1 4.46Å; L78-L81 HydrophobicContact CD2-CD2 4.31Å; L78-L99 HydrophobicContact CB-CD2 4.28Å; L78-L99 HydrophobicContact CD2-CD1 4.29Å; L78-L99 HydrophobicContact CD2-CD2 4.07Å; L78-T101 PolarHBondContact N-OG1 2.84Å; L78-T101 CarbonylContact O-C 3.59Å; L78-T101 VanDerWaalsContact O-C 3.27Å; L78-T101 PolarHBondContact O-OG1 2.84Å; L78-L102 HydrophobicContact CB-CD1 4.45Å; L78-L102 HydrophobicContact CD2-CD1 4.13Å; L78-L102 HydrophobicContact CG-CD1 3.87Å; L78-L102 VanDerWaalsContact O-CA 3.29Å; L78-L102 WeakPolarHBondContact O-CA 3.3Å; L78-L102 PolarHBondContact O-N 3.03Å
79	V	96.1	Very high	95.9	Very high	46 Å²	46	38.9 Å²	38.9	28%	0.279	22%	0.217	S	C	.	.			trans	-115.5	-34.9	-175.1	176.6	0	0	0	0	112.3	V55 R103 S104	V55-V79 HydrophobicContact CG1-CB 4.04Å; V55-V79 HydrophobicContact CG1-CG2 3.84Å; V55-V79 PolarHBondContact O-N 3.08Å; V79-R103 HydrophobicContact CG1-CB 4.14Å; V79-R103 HydrophobicContact CG1-CG 4.06Å; V79-R103 PolarHBondContact O-N 3.37Å; V79-S104 PolarHBondContact O-N 3.24Å; V79-S104 VanDerWaalsContact O-N 3.12Å
80	D	96.5	Very high	96	Very high	38 Å²	38	39.1 Å²	39.1	20%	0.203	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.1	175.8	177	9.2	0	0	0	110.6	V55 E56 L57 T82 H106	V55-D80 PolarHBondContact O-N 3.08Å; E56-D80 HydrophobicContact CG-CB 4.37Å; L57-D80 PolarHBondContact N-O 3.17Å; D80-T82 PolarHBondContact OD1-OG1 3.3Å; D80-H106 IonicContact OD1-CD2 3.02Å
81	L	97.6	Very high	96.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	106.5	177	177.9	52.1	0	0	0	110.6	L57 F72 L78 L83 F96 L99 L102 S104 L105 H106	L57-L81 HydrophobicContact CB-CD1 4.13Å; L57-L81 HydrophobicContact CD2-CD1 3.98Å; L57-L81 HydrophobicContact CG-CD1 4.01Å; F72-L81 HydrophobicContact CD1-CD2 4.33Å; F72-L81 HydrophobicContact CD2-CD2 4.21Å; F72-L81 HydrophobicContact CE1-CD1 3.86Å; F72-L81 HydrophobicContact CE1-CD2 4.18Å; F72-L81 HydrophobicContact CE2-CD2 4.04Å; F72-L81 HydrophobicContact CG-CD2 4.36Å; F72-L81 HydrophobicContact CZ-CD1 4.04Å; F72-L81 HydrophobicContact CZ-CD2 4.04Å; L78-L81 HydrophobicContact CD2-CB 4.15Å; L78-L81 HydrophobicContact CD2-CD1 4.46Å; L78-L81 HydrophobicContact CD2-CD2 4.31Å; L81-L83 HydrophobicContact CD1-CD1 4.42Å; L81-L83 HydrophobicContact CD1-CG 4.14Å; L81-L83 HydrophobicContact CD2-CD1 4.25Å; L81-L83 HydrophobicContact CG-CD1 4.21Å; L81-L83 HydrophobicContact CG-CG 4.27Å; L81-F96 HydrophobicContact CD2-CD1 4.44Å; L81-F96 HydrophobicContact CD2-CE1 4.06Å; L81-L99 HydrophobicContact CD2-CD1 4.14Å; L81-L102 HydrophobicContact CB-CD1 3.79Å; L81-L102 HydrophobicContact CB-CD2 4.28Å; L81-S104 PolarHBondContact N-O 3.09Å; L81-L105 HydrophobicContact CB-CD1 4.17Å; L81-L105 HydrophobicContact CD2-CD1 3.95Å; L81-L105 HydrophobicContact CG-CD1 3.99Å; L81-H106 PolarHBondContact O-N 2.71Å
82	T	97.7	Very high	96.1	Very high	19 Å²	19	35.1 Å²	35.1	12%	0.117	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	100.7	179.6	-38.5	0	0	0	0	112.1	L57 L59 G60 D80 S84 H106	L57-T82 PolarHBondContact O-N 3.32Å; L59-T82 CarbonylContact C-O 3.57Å; L59-T82 WeakPolarHBondContact CA-O 3.26Å; L59-T82 PolarHBondContact N-O 3.18Å; G60-T82 PolarHBondContact N-O 2.81Å; D80-T82 PolarHBondContact OD1-OG1 3.3Å; T82-S84 WeakPolarHBondContact CG2-OG 3.48Å; T82-H106 HydrophobicContact CG2-CB 4.19Å
83	L	97.7	Very high	96.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.219	C	C	.	.			trans	-104	6.7	174.2	-73.1	167.7	0	0	0	113.7	L59 I64 V67 F72 L81 N86 I88 H106 L107 N110	L59-L83 HydrophobicContact CB-CD2 3.86Å; L59-L83 HydrophobicContact CD1-CD2 3.97Å; I64-L83 HydrophobicContact CD1-CD2 4.23Å; V67-L83 HydrophobicContact CG2-CD1 4.11Å; F72-L83 HydrophobicContact CE2-CD1 4.15Å; F72-L83 HydrophobicContact CZ-CD1 4.05Å; F72-L83 HydrophobicContact CZ-CD2 4.22Å; L81-L83 HydrophobicContact CD1-CD1 4.42Å; L81-L83 HydrophobicContact CD1-CG 4.14Å; L81-L83 HydrophobicContact CD2-CD1 4.25Å; L81-L83 HydrophobicContact CG-CD1 4.21Å; L81-L83 HydrophobicContact CG-CG 4.27Å; L83-N86 PolarHBondContact O-ND2 2.86Å; L83-I88 HydrophobicContact CB-CD1 4.01Å; L83-I88 HydrophobicContact CD1-CD1 4.3Å; L83-I88 HydrophobicContact CD2-CD1 4.18Å; L83-I88 HydrophobicContact CG-CD1 4.4Å; L83-H106 CarbonylContact C-O 3.54Å; L83-H106 VanDerWaalsContact CA-O 3.28Å; L83-H106 WeakPolarHBondContact CA-O 3.37Å; L83-H106 WeakPolarHBondContact CB-O 3.21Å; L83-H106 PolarHBondContact N-O 3.03Å; L83-L107 HydrophobicContact CB-CD2 3.92Å; L83-L107 HydrophobicContact CD1-CD2 3.8Å; L83-N110 PolarHBondContact O-ND2 3.09Å; L83-N110 VanDerWaalsContact O-ND2 3.11Å
84	S	97.9	Very high	96.3	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.028	23%	0.225	C	C	.	.			trans	-36.5	139.7	174.2	-52.2	0	0	0	0	116	G60 G61 T82 N86 H106 D108	G60-S84 CarbonylContact C-O 3.5Å; G60-S84 WeakPolarHBondContact CA-O 3.49Å; G61-S84 PolarHBondContact N-O 3.29Å; T82-S84 WeakPolarHBondContact CG2-OG 3.48Å; S84-N86 PolarHBondContact O-N 2.83Å; S84-N86 PolarHBondContact O-ND2 3.27Å; S84-H106 PolarHBondContact N-O 2.91Å; S84-D108 CarbonylContact C-O 3.53Å; S84-D108 WeakPolarHBondContact CA-O 3.32Å; S84-D108 WeakPolarHBondContact CA-OD1 3.47Å; S84-D108 VanDerWaalsContact CB-CG 3.5Å; S84-D108 WeakPolarHBondContact CB-OD1 3.3Å; S84-D108 WeakPolarHBondContact CB-OD2 2.98Å; S84-D108 PolarHBondContact OG-OD1 2.84Å
85	R	97.6	Very high	96.4	Very high	142 Å²	142	35.5 Å²	35.5	54%	0.536	20%	0.199	S	C	.	.	S	Bend	trans	53.2	54.3	170.8	-64.4	172.9	-63.7	-71.3	4.1	112.2	G61 N62 D108 S109	G61-R85 CarbonylContact C-O 3.59Å; G61-R85 WeakPolarHBondContact CA-O 3.23Å; G61-R85 PolarHBondContact N-O 2.78Å; N62-R85 PolarHBondContact N-O 3.1Å; R85-D108 PolarHBondContact N-O 2.9Å; R85-D108 IonicContact NH1-OD2 2.94Å; R85-D108 PolarHBondContact NH1-OD2 2.85Å; R85-S109 WeakPolarHBondContact CA-O 3.5Å; R85-S109 VanDerWaalsContact CG-CB 3.49Å
86	N	97.9	Very high	96.5	Very high	9 Å²	9	35.5 Å²	35.5	5%	0.048	20%	0.199	C	C	.	.	S	Bend	trans	-114.6	-162.3	171.6	-89.7	-83.5	0	0	0	109.7	L59 N62 F63 I64 L83 S84 I88 N110	L59-N86 PolarHBondContact O-ND2 3.49Å; N62-N86 WeakPolarHBondContact CA-OD1 3.11Å; N62-N86 WeakPolarHBondContact CB-OD1 3.39Å; N62-N86 PolarHBondContact N-OD1 3.27Å; N62-N86 WeakPolarHBondContact O-CA 3.39Å; N62-N86 PolarHBondContact O-OD1 3.04Å; F63-N86 PolarHBondContact N-OD1 3.45Å; I64-N86 HydrophobicContact CB-CB 4.4Å; I64-N86 WeakPolarHBondContact CB-OD1 3.24Å; I64-N86 WeakPolarHBondContact CG1-OD1 3.23Å; I64-N86 PolarHBondContact N-OD1 3.46Å; L83-N86 PolarHBondContact O-ND2 2.86Å; S84-N86 PolarHBondContact O-N 2.83Å; S84-N86 PolarHBondContact O-ND2 3.27Å; N86-I88 HydrophobicContact CB-CD1 4.12Å; N86-I88 HydrophobicContact CB-CG1 3.97Å; N86-N110 VanDerWaalsContact CA-OD1 3.29Å; N86-N110 WeakPolarHBondContact CA-OD1 3.42Å; N86-N110 WeakPolarHBondContact CB-OD1 3.4Å; N86-N110 PolarHBondContact N-OD1 2.67Å; N86-N110 PolarHBondContact O-OD1 3.28Å
87	T	97.3	Very high	96.7	Very high	28 Å²	28	35.9 Å²	35.9	17%	0.172	20%	0.197	C	C	.	.			trans	-120.5	27.5	177	48	0	0	0	0	111.9	F63 I64 S89 N110	F63-T87 HydrophobicContact CD1-CG2 4.5Å; F63-T87 PolarHBondContact O-OG1 2.85Å; I64-T87 CarbonylContact O-C 3.27Å; I64-T87 WeakPolarHBondContact O-CA 3.27Å; I64-T87 PolarHBondContact O-N 2.98Å; I64-T87 PolarHBondContact O-OG1 3.2Å; T87-S89 PolarHBondContact O-N 2.78Å; T87-S89 VanDerWaalsContact O-N 3.12Å; T87-N110 PolarHBondContact N-OD1 2.69Å
88	I	98.1	Very high	96.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.			trans	-66.5	112.6	-171.8	-59	167.2	0	0	0	108.6	I64 L65 V67 L83 N86 S90 L107 N110 R111 L112	I64-I88 HydrophobicContact CB-CG1 4.27Å; I64-I88 HydrophobicContact CG2-CD1 4.49Å; I64-I88 HydrophobicContact CG2-CG1 4.09Å; I64-I88 PolarHBondContact O-N 3.34Å; L65-I88 WeakPolarHBondContact O-CA 3.4Å; V67-I88 HydrophobicContact CG2-CD1 4.17Å; V67-I88 HydrophobicContact CG2-CG2 4.33Å; L83-I88 HydrophobicContact CB-CD1 4.01Å; L83-I88 HydrophobicContact CD1-CD1 4.3Å; L83-I88 HydrophobicContact CD2-CD1 4.18Å; L83-I88 HydrophobicContact CG-CD1 4.4Å; N86-I88 HydrophobicContact CB-CD1 4.12Å; N86-I88 HydrophobicContact CB-CG1 3.97Å; I88-S90 WeakPolarHBondContact CG2-O 3.46Å; I88-L107 HydrophobicContact CD1-CD2 4.25Å; I88-N110 HydrophobicContact CB-CB 4.32Å; I88-N110 WeakPolarHBondContact CB-OD1 3.24Å; I88-N110 WeakPolarHBondContact CG1-OD1 3.44Å; I88-N110 PolarHBondContact N-OD1 2.89Å; I88-R111 CarbonylContact O-C 3.45Å; I88-R111 VanDerWaalsContact O-CA 3.29Å; I88-R111 WeakPolarHBondContact O-CA 3.3Å; I88-R111 WeakPolarHBondContact O-CB 3.5Å; I88-R111 PolarHBondContact O-N 2.83Å; I88-L112 HydrophobicContact CG2-CD2 3.81Å; I88-L112 PolarHBondContact O-N 3.22Å; I88-L112 VanDerWaalsContact O-N 3.15Å
89	S	96.4	Very high	96.8	Very high	57 Å²	57	37.3 Å²	37.3	40%	0.399	20%	0.198	S	C	.	.			trans	-90.9	-26.2	177.1	59.2	0	0	0	0	113	L65 T87	L65-S89 PolarHBondContact O-N 2.92Å; L65-S89 PolarHBondContact O-OG 2.92Å; T87-S89 PolarHBondContact O-N 2.78Å; T87-S89 VanDerWaalsContact O-N 3.12Å
90	S	96.2	Very high	96.7	Very high	59 Å²	59	40.4 Å²	40.4	41%	0.413	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	153.8	178.5	54.9	0	0	0	0	112.7	K66 V67 I88	K66-S90 VanDerWaalsContact CA-O 3.29Å; K66-S90 WeakPolarHBondContact CA-O 3.24Å; K66-S90 WeakPolarHBondContact CB-O 3.45Å; V67-S90 PolarHBondContact N-O 3.35Å; I88-S90 WeakPolarHBondContact CG2-O 3.46Å
91	I	97.3	Very high	96.6	Very high	12 Å²	12	41 Å²	41	6%	0.062	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	147.5	168.2	-64.7	159.3	0	0	0	106.4	V67 F96 L107 L112 D119	V67-I91 HydrophobicContact CB-CG1 4.29Å; V67-I91 HydrophobicContact CB-CG2 4.42Å; V67-I91 HydrophobicContact CG2-CG1 4.43Å; I91-F96 HydrophobicContact CD1-CE2 4.18Å; I91-F96 HydrophobicContact CD1-CZ 4.41Å; I91-F96 HydrophobicContact CG2-CE2 4.01Å; I91-F96 HydrophobicContact CG2-CZ 4.32Å; I91-L107 HydrophobicContact CD1-CD1 3.92Å; I91-L107 HydrophobicContact CD1-CD2 4.47Å; I91-L112 HydrophobicContact CD1-CD1 4.18Å; I91-L112 HydrophobicContact CD1-CD2 4.12Å; I91-L112 HydrophobicContact CG1-CD2 4.11Å; I91-D119 HydrophobicContact CB-CB 4.45Å; I91-D119 HydrophobicContact CG2-CB 4.22Å
92	Q	96.3	Very high	96.6	Very high	78 Å²	78	41 Å²	41	36%	0.364	21%	0.214	S	C	.	.			trans	-89.7	137.1	172	-176.8	-175.2	-31.6	0	0	109.2	V67 T69 F94 S95	V67-Q92 WeakPolarHBondContact O-CB 3.03Å; V67-Q92 PolarHBondContact O-N 3.11Å; V67-Q92 VanDerWaalsContact O-N 3.15Å; T69-Q92 HydrophobicContact CG2-CG 4.12Å; T69-Q92 PolarHBondContact OG1-NE2 2.96Å; T69-Q92 VanDerWaalsContact OG1-NE2 3.13Å; Q92-F94 PolarHBondContact O-N 2.86Å; Q92-S95 WeakPolarHBondContact CB-OG 3.34Å; Q92-S95 VanDerWaalsContact O-CB 3.26Å; Q92-S95 WeakPolarHBondContact O-CB 3.4Å; Q92-S95 PolarHBondContact O-N 2.96Å; Q92-S95 VanDerWaalsContact O-N 3.11Å; Q92-S95 PolarHBondContact O-OG 2.88Å
93	P	96.5	Very high	96.6	Very high	59 Å²	59	46.6 Å²	46.6	38%	0.383	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.9	138.5	173.9	-36.3	39.1	0	0	0	113.6	T69 S95 D118	T69-P93 WeakPolarHBondContact CG2-O 3.36Å; P93-S95 VanDerWaalsContact C-N 3.26Å; P93-S95 PolarHBondContact O-N 3.35Å; P93-D118 HydrophobicContact CB-CB 3.83Å
94	F	96.4	Very high	96.6	Very high	86 Å²	86	47.3 Å²	47.3	38%	0.377	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	15.7	-178.2	-43	-74.7	0	0	0	115.7	Q92 F96 I97 D118 R121	Q92-F94 PolarHBondContact O-N 2.86Å; F94-F96 PolarHBondContact O-N 2.95Å; F94-F96 VanDerWaalsContact O-N 3.13Å; F94-I97 HydrophobicContact CB-CB 4.23Å; F94-I97 HydrophobicContact CB-CD1 4.35Å; F94-I97 HydrophobicContact CB-CG2 4.45Å; F94-I97 HydrophobicContact CD1-CD1 4.24Å; F94-I97 WeakPolarHBondContact O-CB 3.32Å; F94-I97 VanDerWaalsContact O-CG2 3.26Å; F94-I97 WeakPolarHBondContact O-CG2 3.28Å; F94-I97 PolarHBondContact O-N 2.84Å; F94-D118 HydrophobicContact CD1-CB 4.27Å; F94-D118 HydrophobicContact CE1-CB 3.76Å; F94-D118 VanDerWaalsContact CE1-OD1 3.26Å; F94-D118 WeakPolarHBondContact CE1-OD1 3.46Å; F94-D118 HydrophobicContact CE2-CB 4.1Å; F94-D118 HydrophobicContact CZ-CB 3.66Å; F94-D118 WeakPolarHBondContact CZ-OD1 3.31Å; F94-D118 PolarHBondContact N-O 2.83Å; F94-R121 HydrophobicContact CD1-CB 3.93Å; F94-R121 HydrophobicContact CD1-CG 3.93Å; F94-R121 HydrophobicContact CE1-CB 4.27Å; F94-R121 HydrophobicContact CE1-CG 3.97Å
95	S	96.8	Very high	96.6	Very high	5 Å²	5	47.1 Å²	47.1	4%	0.035	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.3	-179.2	-65.3	0	0	0	0	115.3	T68 T69 Q92 P93	T68-S95 VanDerWaalsContact C-OG 3.27Å; T69-S95 PolarHBondContact N-OG 3.05Å; Q92-S95 WeakPolarHBondContact CB-OG 3.34Å; Q92-S95 VanDerWaalsContact O-CB 3.26Å; Q92-S95 WeakPolarHBondContact O-CB 3.4Å; Q92-S95 PolarHBondContact O-N 2.96Å; Q92-S95 VanDerWaalsContact O-N 3.11Å; Q92-S95 PolarHBondContact O-OG 2.88Å; P93-S95 VanDerWaalsContact C-N 3.26Å; P93-S95 PolarHBondContact O-N 3.35Å
96	F	96.7	Very high	96.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	12	179.1	-53.5	-51	0	0	0	113.2	V67 F72 L81 I91 F94 D98 L99 L105 D119 L120 R121 L123	V67-F96 HydrophobicContact CG1-CE1 4.13Å; V67-F96 HydrophobicContact CG1-CZ 4.32Å; F72-F96 AromaticContact CD2-CD1 3.92Å; F72-F96 HydrophobicContact CD2-CD1 3.92Å; F72-F96 AromaticContact CD2-CE1 3.69Å; F72-F96 HydrophobicContact CD2-CE1 3.69Å; F72-F96 HydrophobicContact CE2-CD1 4.49Å; F72-F96 AromaticContact CE2-CE1 3.8Å; F72-F96 HydrophobicContact CE2-CE1 3.8Å; L81-F96 HydrophobicContact CD2-CD1 4.44Å; L81-F96 HydrophobicContact CD2-CE1 4.06Å; I91-F96 HydrophobicContact CD1-CE2 4.18Å; I91-F96 HydrophobicContact CD1-CZ 4.41Å; I91-F96 HydrophobicContact CG2-CE2 4.01Å; I91-F96 HydrophobicContact CG2-CZ 4.32Å; F94-F96 PolarHBondContact O-N 2.95Å; F94-F96 VanDerWaalsContact O-N 3.13Å; F96-D98 VanDerWaalsContact C-N 3.29Å; F96-D98 PolarHBondContact O-N 2.77Å; F96-L99 HydrophobicContact CB-CD1 4Å; F96-L99 HydrophobicContact CB-CG 4.36Å; F96-L99 HydrophobicContact CD1-CD1 3.68Å; F96-L99 HydrophobicContact CG-CD1 4.25Å; F96-L99 VanDerWaalsContact O-CB 3.3Å; F96-L99 WeakPolarHBondContact O-CB 3.31Å; F96-L99 PolarHBondContact O-N 2.89Å; F96-L105 HydrophobicContact CD2-CD2 4.41Å; F96-L105 HydrophobicContact CE2-CD2 4.08Å; F96-L105 HydrophobicContact CZ-CD2 4.38Å; F96-D119 WeakPolarHBondContact CD2-O 3.16Å; F96-L120 HydrophobicContact CD2-CD2 4.12Å; F96-L120 HydrophobicContact CE2-CD2 4Å; F96-R121 CarbonylContact C-O 3.43Å; F96-L123 HydrophobicContact CB-CD1 4.16Å; F96-L123 HydrophobicContact CB-CD2 3.81Å; F96-L123 HydrophobicContact CB-CG 3.9Å; F96-L123 HydrophobicContact CD2-CD1 3.97Å; F96-L123 HydrophobicContact CG-CD1 4.3Å; F96-L123 HydrophobicContact CG-CD2 4.49Å
97	I	95.6	Very high	96.7	Very high	82 Å²	82	42.5 Å²	42.5	42%	0.421	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-33.9	-170.2	-165.9	169.7	0	0	0	114.3	F94 L99 R121	F94-I97 HydrophobicContact CB-CB 4.23Å; F94-I97 HydrophobicContact CB-CD1 4.35Å; F94-I97 HydrophobicContact CB-CG2 4.45Å; F94-I97 HydrophobicContact CD1-CD1 4.24Å; F94-I97 WeakPolarHBondContact O-CB 3.32Å; F94-I97 VanDerWaalsContact O-CG2 3.26Å; F94-I97 WeakPolarHBondContact O-CG2 3.28Å; F94-I97 PolarHBondContact O-N 2.84Å; I97-L99 VanDerWaalsContact C-N 3.31Å; I97-L99 PolarHBondContact O-N 2.82Å; I97-R121 WeakPolarHBondContact CA-O 3.33Å
98	D	94.6	Very high	96.7	Very high	59 Å²	59	41.8 Å²	41.8	32%	0.316	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-0.9	179.6	-60.4	-38.4	0	0	0	113.2	A73 N74 T76 F96 E100	A73-D98 WeakPolarHBondContact CA-OD2 3.36Å; N74-D98 PolarHBondContact N-OD2 2.94Å; T76-D98 WeakPolarHBondContact CA-O 3.47Å; T76-D98 HydrophobicContact CG2-CB 4.46Å; T76-D98 WeakPolarHBondContact CG2-O 3.49Å; F96-D98 VanDerWaalsContact C-N 3.29Å; F96-D98 PolarHBondContact O-N 2.77Å; D98-E100 VanDerWaalsContact C-N 3.27Å; D98-E100 PolarHBondContact O-N 3.29Å
99	L	95.9	Very high	96.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.			trans	-91.2	43.1	-171.3	-56.3	-171	0	0	0	113	F72 M75 L78 L81 F96 I97 T101 L102 L123	F72-L99 HydrophobicContact CB-CD1 4.12Å; F72-L99 HydrophobicContact CB-CD2 4.2Å; F72-L99 HydrophobicContact CB-CG 4.47Å; M75-L99 HydrophobicContact CB-CD2 3.77Å; L78-L99 HydrophobicContact CB-CD2 4.28Å; L78-L99 HydrophobicContact CD2-CD1 4.29Å; L78-L99 HydrophobicContact CD2-CD2 4.07Å; L81-L99 HydrophobicContact CD2-CD1 4.14Å; F96-L99 HydrophobicContact CB-CD1 4Å; F96-L99 HydrophobicContact CB-CG 4.36Å; F96-L99 HydrophobicContact CD1-CD1 3.68Å; F96-L99 HydrophobicContact CG-CD1 4.25Å; F96-L99 VanDerWaalsContact O-CB 3.3Å; F96-L99 WeakPolarHBondContact O-CB 3.31Å; F96-L99 PolarHBondContact O-N 2.89Å; I97-L99 VanDerWaalsContact C-N 3.31Å; I97-L99 PolarHBondContact O-N 2.82Å; L99-T101 PolarHBondContact O-N 3.46Å; L99-L102 HydrophobicContact CB-CB 4.1Å; L99-L102 HydrophobicContact CD1-CD2 4.21Å; L99-L102 WeakPolarHBondContact O-CB 3.41Å; L99-L102 PolarHBondContact O-N 2.78Å; L99-L123 HydrophobicContact CB-CD2 3.97Å
100	E	92.8	Very high	96.8	Very high	111 Å²	111	41 Å²	41	52%	0.519	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-29.3	-174.8	-65.4	-176.6	-176.7	0	0	114	D98 I124 N125	D98-E100 VanDerWaalsContact C-N 3.27Å; D98-E100 PolarHBondContact O-N 3.29Å; E100-I124 HydrophobicContact CB-CD1 4.32Å; E100-I124 HydrophobicContact CB-CG1 4.43Å; E100-I124 HydrophobicContact CG-CD1 4.42Å; E100-N125 WeakPolarHBondContact O-CB 3.49Å; E100-N125 PolarHBondContact O-ND2 3.37Å
101	T	95.4	Very high	96.9	Very high	51 Å²	51	44.6 Å²	44.6	31%	0.313	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-0	-178.8	60.5	0	0	0	0	114.9	T76 L78 L99 R103	T76-T101 VanDerWaalsContact O-CG2 3.26Å; T76-T101 WeakPolarHBondContact O-CG2 3.45Å; T76-T101 PolarHBondContact O-OG1 3.04Å; L78-T101 PolarHBondContact N-OG1 2.84Å; L78-T101 CarbonylContact O-C 3.59Å; L78-T101 VanDerWaalsContact O-C 3.27Å; L78-T101 PolarHBondContact O-OG1 2.84Å; L99-T101 PolarHBondContact O-N 3.46Å; T101-R103 PolarHBondContact O-N 2.02Å
102	L	97.4	Very high	96.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.212	C	C	.	.			trans	-68.1	128.9	-174.7	-164.4	77.1	0	0	0	110.7	L78 L81 L99 L105 L123 N125 L126	L78-L102 HydrophobicContact CB-CD1 4.45Å; L78-L102 HydrophobicContact CD2-CD1 4.13Å; L78-L102 HydrophobicContact CG-CD1 3.87Å; L78-L102 VanDerWaalsContact O-CA 3.29Å; L78-L102 WeakPolarHBondContact O-CA 3.3Å; L78-L102 PolarHBondContact O-N 3.03Å; L81-L102 HydrophobicContact CB-CD1 3.79Å; L81-L102 HydrophobicContact CB-CD2 4.28Å; L99-L102 HydrophobicContact CB-CB 4.1Å; L99-L102 HydrophobicContact CD1-CD2 4.21Å; L99-L102 WeakPolarHBondContact O-CB 3.41Å; L99-L102 PolarHBondContact O-N 2.78Å; L102-L105 HydrophobicContact CD2-CB 4.04Å; L102-L105 HydrophobicContact CD2-CD1 4.4Å; L102-L123 HydrophobicContact CB-CD2 4.04Å; L102-L123 HydrophobicContact CD2-CD2 3.6Å; L102-L123 HydrophobicContact CG-CD2 4.44Å; L102-N125 CarbonylContact O-C 3.13Å; L102-L126 HydrophobicContact CD2-CD1 4.05Å; L102-L126 HydrophobicContact CG-CD1 4.18Å; L102-L126 VanDerWaalsContact O-CA 3.29Å; L102-L126 WeakPolarHBondContact O-CA 3.49Å; L102-L126 PolarHBondContact O-N 2.91Å
103	R	97.6	Very high	96.9	Very high	136 Å²	136	43.3 Å²	43.3	51%	0.513	21%	0.213	S	C	.	.			trans	-111.4	-31.8	180	-64.5	177	-172.1	-166.8	1.9	112.8	V79 T101 Q127 H128	V79-R103 HydrophobicContact CG1-CB 4.14Å; V79-R103 HydrophobicContact CG1-CG 4.06Å; V79-R103 PolarHBondContact O-N 3.37Å; T101-R103 PolarHBondContact O-N 2.02Å; R103-Q127 VanDerWaalsContact CD-OE1 3.31Å; R103-Q127 PolarHBondContact O-N 2.92Å; R103-H128 PolarHBondContact O-N 2.93Å
104	S	98	Very high	97	Very high	15 Å²	15	46.5 Å²	46.5	11%	0.105	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	130.1	176.2	-161.5	0	0	0	0	111.8	V79 L81 H106	V79-S104 PolarHBondContact O-N 3.24Å; V79-S104 VanDerWaalsContact O-N 3.12Å; L81-S104 PolarHBondContact N-O 3.09Å; S104-H106 PolarHBondContact OG-CD2 2.65Å; S104-H106 VanDerWaalsContact OG-CD2 3.27Å; S104-H106 PolarHBondContact OG-NE2 2.63Å
105	L	98.3	Very high	97	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	107.7	173.2	179	56.3	0	0	0	109.6	L81 F96 L102 L107 L120 L123 L126 H128 L129 I130	L81-L105 HydrophobicContact CB-CD1 4.17Å; L81-L105 HydrophobicContact CD2-CD1 3.95Å; L81-L105 HydrophobicContact CG-CD1 3.99Å; F96-L105 HydrophobicContact CD2-CD2 4.41Å; F96-L105 HydrophobicContact CE2-CD2 4.08Å; F96-L105 HydrophobicContact CZ-CD2 4.38Å; L102-L105 HydrophobicContact CD2-CB 4.04Å; L102-L105 HydrophobicContact CD2-CD1 4.4Å; L105-L107 HydrophobicContact CD1-CD1 4.28Å; L105-L107 HydrophobicContact CD1-CG 4.16Å; L105-L107 HydrophobicContact CD2-CD1 3.93Å; L105-L107 HydrophobicContact CG-CD1 3.98Å; L105-L107 HydrophobicContact CG-CG 4.19Å; L105-L120 HydrophobicContact CD2-CD2 4.1Å; L105-L123 HydrophobicContact CD2-CD1 3.7Å; L105-L126 HydrophobicContact CB-CD1 3.82Å; L105-L126 HydrophobicContact CB-CD2 4.43Å; L105-H128 PolarHBondContact N-O 2.9Å; L105-L129 HydrophobicContact CB-CD1 4.39Å; L105-L129 HydrophobicContact CD2-CD1 4.11Å; L105-L129 HydrophobicContact CG-CD1 4.34Å; L105-I130 PolarHBondContact O-N 3.43Å
106	H	98.5	Very high	96.9	Very high	54 Å²	54	43.5 Å²	43.5	25%	0.25	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	108.5	175.4	-64	-98.4	0	0	0	110.8	D80 L81 T82 L83 S84 S104	D80-H106 IonicContact OD1-CD2 3.02Å; L81-H106 PolarHBondContact O-N 2.71Å; T82-H106 HydrophobicContact CG2-CB 4.19Å; L83-H106 CarbonylContact C-O 3.54Å; L83-H106 VanDerWaalsContact CA-O 3.28Å; L83-H106 WeakPolarHBondContact CA-O 3.37Å; L83-H106 WeakPolarHBondContact CB-O 3.21Å; L83-H106 PolarHBondContact N-O 3.03Å; S84-H106 PolarHBondContact N-O 2.91Å; S104-H106 PolarHBondContact OG-CD2 2.65Å; S104-H106 VanDerWaalsContact OG-CD2 3.27Å; S104-H106 PolarHBondContact OG-NE2 2.63Å
107	L	98	Very high	96.9	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.			trans	-110.9	15.8	173.4	-76.1	163.2	0	0	0	111.8	L83 I88 I91 L105 N110 L112 I130 L131 N134	L83-L107 HydrophobicContact CB-CD2 3.92Å; L83-L107 HydrophobicContact CD1-CD2 3.8Å; I88-L107 HydrophobicContact CD1-CD2 4.25Å; I91-L107 HydrophobicContact CD1-CD1 3.92Å; I91-L107 HydrophobicContact CD1-CD2 4.47Å; L105-L107 HydrophobicContact CD1-CD1 4.28Å; L105-L107 HydrophobicContact CD1-CG 4.16Å; L105-L107 HydrophobicContact CD2-CD1 3.93Å; L105-L107 HydrophobicContact CG-CD1 3.98Å; L105-L107 HydrophobicContact CG-CG 4.19Å; L107-N110 WeakPolarHBondContact O-CB 3.14Å; L107-N110 PolarHBondContact O-ND2 2.79Å; L107-L112 HydrophobicContact CB-CD1 4.35Å; L107-L112 HydrophobicContact CD1-CD1 4.42Å; L107-I130 CarbonylContact C-O 3.45Å; L107-I130 WeakPolarHBondContact CA-O 3.43Å; L107-I130 PolarHBondContact N-O 2.91Å; L107-L131 HydrophobicContact CB-CD2 3.75Å; L107-L131 HydrophobicContact CD1-CD2 3.84Å; L107-L131 HydrophobicContact CG-CD2 4.46Å; L107-N134 PolarHBondContact O-ND2 3.29Å
108	D	98.1	Very high	96.9	Very high	13 Å²	13	44 Å²	44	7%	0.07	22%	0.223	C	C	.	.			trans	-54.8	151.3	-177.5	67.6	-90.5	0	0	0	114.2	S84 R85 N110 I130 N132	S84-D108 CarbonylContact C-O 3.53Å; S84-D108 WeakPolarHBondContact CA-O 3.32Å; S84-D108 WeakPolarHBondContact CA-OD1 3.47Å; S84-D108 VanDerWaalsContact CB-CG 3.5Å; S84-D108 WeakPolarHBondContact CB-OD1 3.3Å; S84-D108 WeakPolarHBondContact CB-OD2 2.98Å; S84-D108 PolarHBondContact OG-OD1 2.84Å; R85-D108 PolarHBondContact N-O 2.9Å; R85-D108 IonicContact NH1-OD2 2.94Å; R85-D108 PolarHBondContact NH1-OD2 2.85Å; D108-N110 PolarHBondContact O-N 2.87Å; D108-N110 PolarHBondContact O-ND2 2.81Å; D108-I130 HydrophobicContact CB-CG2 4.28Å; D108-I130 PolarHBondContact N-O 3.42Å; D108-N132 CarbonylContact C-O 3.01Å; D108-N132 VanDerWaalsContact CA-O 3.31Å; D108-N132 WeakPolarHBondContact CA-O 3.22Å; D108-N132 WeakPolarHBondContact CB-OD1 3.37Å
109	S	98.2	Very high	97	Very high	33 Å²	33	42 Å²	42	23%	0.231	21%	0.213	C	C	.	.	S	Bend	trans	55.4	46.9	171.3	-54	0	0	0	0	113.3	R85 N132 N133	R85-S109 WeakPolarHBondContact CA-O 3.5Å; R85-S109 VanDerWaalsContact CG-CB 3.49Å; S109-N132 PolarHBondContact N-O 2.95Å; S109-N133 WeakPolarHBondContact CA-O 3.04Å; S109-N133 WeakPolarHBondContact CB-ND2 3.48Å; S109-N133 PolarHBondContact N-O 2.8Å; S109-N133 PolarHBondContact OG-ND2 3.2Å
110	N	98.5	Very high	97	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.048	21%	0.213	C	C	.	.	S	Bend	trans	-114.9	-156.3	179.3	-89.1	-73.1	0	0	0	110.9	L83 N86 T87 I88 L107 D108 N133 N134	L83-N110 PolarHBondContact O-ND2 3.09Å; L83-N110 VanDerWaalsContact O-ND2 3.11Å; N86-N110 VanDerWaalsContact CA-OD1 3.29Å; N86-N110 WeakPolarHBondContact CA-OD1 3.42Å; N86-N110 WeakPolarHBondContact CB-OD1 3.4Å; N86-N110 PolarHBondContact N-OD1 2.67Å; N86-N110 PolarHBondContact O-OD1 3.28Å; T87-N110 PolarHBondContact N-OD1 2.69Å; I88-N110 HydrophobicContact CB-CB 4.32Å; I88-N110 WeakPolarHBondContact CB-OD1 3.24Å; I88-N110 WeakPolarHBondContact CG1-OD1 3.44Å; I88-N110 PolarHBondContact N-OD1 2.89Å; L107-N110 WeakPolarHBondContact O-CB 3.14Å; L107-N110 PolarHBondContact O-ND2 2.79Å; D108-N110 PolarHBondContact O-N 2.87Å; D108-N110 PolarHBondContact O-ND2 2.81Å; N110-N133 PolarHBondContact N-O 3.44Å; N110-N134 VanDerWaalsContact CA-OD1 3.32Å; N110-N134 WeakPolarHBondContact CA-OD1 3.11Å; N110-N134 WeakPolarHBondContact CB-OD1 3.41Å
111	R	97.7	Very high	97.2	Very high	133 Å²	133	41 Å²	41	50%	0.502	20%	0.204	S	C	.	.			trans	-130.3	22.7	-176.1	-63.1	179.1	175.6	-93.9	-4.1	112.2	I88 T113 N134	I88-R111 CarbonylContact O-C 3.45Å; I88-R111 VanDerWaalsContact O-CA 3.29Å; I88-R111 WeakPolarHBondContact O-CA 3.3Å; I88-R111 WeakPolarHBondContact O-CB 3.5Å; I88-R111 PolarHBondContact O-N 2.83Å; R111-T113 PolarHBondContact O-N 3.28Å; R111-N134 PolarHBondContact N-OD1 2.91Å
112	L	98	Very high	97	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	20%	0.196	C	C	.	.			trans	-62.9	125.5	-179.8	-61.6	173.4	0	0	0	109.4	I88 I91 L107 L131 N134 Q135 L136	I88-L112 HydrophobicContact CG2-CD2 3.81Å; I88-L112 PolarHBondContact O-N 3.22Å; I88-L112 VanDerWaalsContact O-N 3.15Å; I91-L112 HydrophobicContact CD1-CD1 4.18Å; I91-L112 HydrophobicContact CD1-CD2 4.12Å; I91-L112 HydrophobicContact CG1-CD2 4.11Å; L107-L112 HydrophobicContact CB-CD1 4.35Å; L107-L112 HydrophobicContact CD1-CD1 4.42Å; L112-L131 HydrophobicContact CD1-CD2 3.8Å; L112-N134 HydrophobicContact CB-CB 4.42Å; L112-N134 WeakPolarHBondContact CB-OD1 3.3Å; L112-N134 PolarHBondContact N-OD1 3.26Å; L112-N134 VanDerWaalsContact N-OD1 3.07Å; L112-Q135 CarbonylContact O-C 3.21Å; L112-Q135 VanDerWaalsContact O-CA 3.28Å; L112-Q135 WeakPolarHBondContact O-CA 3.3Å; L112-Q135 PolarHBondContact O-N 2.59Å; L112-L136 HydrophobicContact CB-CD2 3.77Å; L112-L136 HydrophobicContact CB-CG 4.45Å; L112-L136 PolarHBondContact O-N 3.35Å; L112-L136 VanDerWaalsContact O-N 3.08Å
113	T	96.7	Very high	96.9	Very high	61 Å²	61	39.2 Å²	39.2	37%	0.374	20%	0.196	S	C	.	.			trans	-97.3	-26.8	-178.3	50.4	0	0	0	0	113.5	R111 Q135 L136 N137	R111-T113 PolarHBondContact O-N 3.28Å; T113-Q135 HydrophobicContact CG2-CB 4.46Å; T113-L136 CarbonylContact O-C 3.4Å; T113-L136 WeakPolarHBondContact O-CA 3.44Å; T113-N137 VanDerWaalsContact O-CG 3.26Å; T113-N137 PolarHBondContact O-N 3.15Å; T113-N137 PolarHBondContact O-OD1 3.26Å
114	E	96.8	Very high	96.8	Very high	125 Å²	125	36.3 Å²	36.3	58%	0.584	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-149.7	165.3	-178.7	61.6	-170.1	-170.2	0	0	109.5	Q138	E114-Q138 WeakPolarHBondContact CA-O 3.36Å
115	L	97.3	Very high	96.7	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	113	172.5	-170.9	68.6	0	0	0	110.1	D119 L120 L131 L136 Q138 I139 S140 A143 F144	L115-D119 HydrophobicContact CD1-CB 3.9Å; L115-L120 HydrophobicContact CD1-CD1 4.5Å; L115-L120 HydrophobicContact CD1-CD2 4.4Å; L115-L120 HydrophobicContact CD1-CG 4.15Å; L115-L120 HydrophobicContact CD2-CD1 3.87Å; L115-L120 HydrophobicContact CD2-CG 4.31Å; L115-L131 HydrophobicContact CD2-CD1 4.31Å; L115-L136 HydrophobicContact CB-CD2 4.45Å; L115-Q138 PolarHBondContact N-O 2.86Å; L115-I139 HydrophobicContact CB-CG1 4.11Å; L115-I139 HydrophobicContact CB-CG2 4.42Å; L115-I139 HydrophobicContact CD2-CG1 4.48Å; L115-I139 HydrophobicContact CD2-CG2 4.17Å; L115-S140 WeakPolarHBondContact O-CB 3.46Å; L115-S140 PolarHBondContact O-N 3.17Å; L115-A143 HydrophobicContact CD2-CB 4.18Å; L115-A143 HydrophobicContact CG-CB 4.26Å; L115-F144 HydrophobicContact CD2-CE1 3.93Å
116	G	95.9	Very high	96.7	Very high	24 Å²	24	39.3 Å²	39.3	25%	0.247	21%	0.205	C	C	.	.			trans	-78.1	163.7	-178.2	0	0	0	0	0	113.9	D118 D119	G116-D118 VanDerWaalsContact C-N 3.26Å; G116-D118 PolarHBondContact O-N 3.01Å; G116-D119 WeakPolarHBondContact CA-OD2 3.22Å; G116-D119 PolarHBondContact N-OD2 3.4Å; G116-D119 PolarHBondContact O-N 3.1Å
117	A	95.8	Very high	96.6	Very high	30 Å²	30	39.1 Å²	39.1	25%	0.248	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-36	-179.7	0	0	0	0	0	113.8	S142	A117-S142 VanDerWaalsContact CB-OG 3.27Å; A117-S142 WeakPolarHBondContact CB-OG 3.13Å
118	D	96.4	Very high	96.7	Very high	61 Å²	61	42.3 Å²	42.3	33%	0.326	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	2.6	-173.2	-67.6	-55.6	0	0	0	113.7	P93 F94 G116 R121	P93-D118 HydrophobicContact CB-CB 3.83Å; F94-D118 HydrophobicContact CD1-CB 4.27Å; F94-D118 HydrophobicContact CE1-CB 3.76Å; F94-D118 VanDerWaalsContact CE1-OD1 3.26Å; F94-D118 WeakPolarHBondContact CE1-OD1 3.46Å; F94-D118 HydrophobicContact CE2-CB 4.1Å; F94-D118 HydrophobicContact CZ-CB 3.66Å; F94-D118 WeakPolarHBondContact CZ-OD1 3.31Å; F94-D118 PolarHBondContact N-O 2.83Å; G116-D118 VanDerWaalsContact C-N 3.26Å; G116-D118 PolarHBondContact O-N 3.01Å; D118-R121 WeakPolarHBondContact O-CB 3.48Å; D118-R121 PolarHBondContact O-N 2.9Å
119	D	96.4	Very high	96.7	Very high	17 Å²	17	41.7 Å²	41.7	9%	0.091	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-31.9	-173.4	-70.7	-10.3	0	0	0	112.6	I91 F96 L115 G116	I91-D119 HydrophobicContact CB-CB 4.45Å; I91-D119 HydrophobicContact CG2-CB 4.22Å; F96-D119 WeakPolarHBondContact CD2-O 3.16Å; L115-D119 HydrophobicContact CD1-CB 3.9Å; G116-D119 WeakPolarHBondContact CA-OD2 3.22Å; G116-D119 PolarHBondContact N-OD2 3.4Å; G116-D119 PolarHBondContact O-N 3.1Å
120	L	96.2	Very high	96.7	Very high	3 Å²	3	41 Å²	41	2%	0.016	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	11.3	176.5	-59.4	-171.9	0	0	0	113.4	F96 L105 L115 G122 L123 L129 F144 L147	F96-L120 HydrophobicContact CD2-CD2 4.12Å; F96-L120 HydrophobicContact CE2-CD2 4Å; L105-L120 HydrophobicContact CD2-CD2 4.1Å; L115-L120 HydrophobicContact CD1-CD1 4.5Å; L115-L120 HydrophobicContact CD1-CD2 4.4Å; L115-L120 HydrophobicContact CD1-CG 4.15Å; L115-L120 HydrophobicContact CD2-CD1 3.87Å; L115-L120 HydrophobicContact CD2-CG 4.31Å; L120-G122 PolarHBondContact O-N 3.22Å; L120-L123 HydrophobicContact CB-CD1 4.11Å; L120-L123 HydrophobicContact CD2-CD1 4Å; L120-L123 WeakPolarHBondContact O-CB 3.35Å; L120-L123 WeakPolarHBondContact O-CG 3.16Å; L120-L123 PolarHBondContact O-N 3.02Å; L120-L129 HydrophobicContact CD1-CD1 4.28Å; L120-L129 HydrophobicContact CD1-CD2 3.66Å; L120-F144 HydrophobicContact CD1-CD1 4.32Å; L120-F144 HydrophobicContact CD1-CE1 4.27Å; L120-L147 HydrophobicContact CD1-CD1 4.1Å
121	R	95.6	Very high	96.7	Very high	88 Å²	88	40.6 Å²	40.6	33%	0.332	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	132.3	-176	-158.8	85.7	-162.8	121.3	31.5	111.4	F94 F96 I97 D118 D146	F94-R121 HydrophobicContact CD1-CB 3.93Å; F94-R121 HydrophobicContact CD1-CG 3.93Å; F94-R121 HydrophobicContact CE1-CB 4.27Å; F94-R121 HydrophobicContact CE1-CG 3.97Å; F96-R121 CarbonylContact C-O 3.43Å; I97-R121 WeakPolarHBondContact CA-O 3.33Å; D118-R121 WeakPolarHBondContact O-CB 3.48Å; D118-R121 PolarHBondContact O-N 2.9Å; R121-D146 VanDerWaalsContact CZ-CG 3.42Å; R121-D146 IonicContact CZ-OD1 3.95Å; R121-D146 IonicContact CZ-OD2 2.69Å; R121-D146 IonicContact NE-OD2 2.71Å; R121-D146 IonicContact NH1-OD1 2.72Å; R121-D146 PolarHBondContact NH1-OD1 2.77Å; R121-D146 IonicContact NH1-OD2 3.56Å; R121-D146 PolarHBondContact NH1-OD2 3.08Å; R121-D146 IonicContact NH2-OD1 3.58Å; R121-D146 PolarHBondContact NH2-OD1 3.12Å; R121-D146 IonicContact NH2-OD2 2.79Å; R121-D146 PolarHBondContact NH2-OD2 2.98Å
122	G	91.8	Very high	96.7	Very high	13 Å²	13	36 Å²	36	13%	0.134	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	-5.6	178.1	0	0	0	0	0	115.9	L120 I124 D146	L120-G122 PolarHBondContact O-N 3.22Å; G122-I124 PolarHBondContact O-N 2.95Å; G122-D146 PolarHBondContact N-OD2 2.7Å
123	L	95.9	Very high	96.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.213	C	C	.	.			trans	-77.3	46.7	-179.3	-69.1	179.8	0	0	0	114	F96 L99 L102 L105 L120 N125 L126 L147	F96-L123 HydrophobicContact CB-CD1 4.16Å; F96-L123 HydrophobicContact CB-CD2 3.81Å; F96-L123 HydrophobicContact CB-CG 3.9Å; F96-L123 HydrophobicContact CD2-CD1 3.97Å; F96-L123 HydrophobicContact CG-CD1 4.3Å; F96-L123 HydrophobicContact CG-CD2 4.49Å; L99-L123 HydrophobicContact CB-CD2 3.97Å; L102-L123 HydrophobicContact CB-CD2 4.04Å; L102-L123 HydrophobicContact CD2-CD2 3.6Å; L102-L123 HydrophobicContact CG-CD2 4.44Å; L105-L123 HydrophobicContact CD2-CD1 3.7Å; L120-L123 HydrophobicContact CB-CD1 4.11Å; L120-L123 HydrophobicContact CD2-CD1 4Å; L120-L123 WeakPolarHBondContact O-CB 3.35Å; L120-L123 WeakPolarHBondContact O-CG 3.16Å; L120-L123 PolarHBondContact O-N 3.02Å; L123-N125 VanDerWaalsContact C-N 3.29Å; L123-N125 PolarHBondContact O-N 3.07Å; L123-N125 VanDerWaalsContact O-N 3.14Å; L123-L126 HydrophobicContact CB-CB 4.22Å; L123-L126 HydrophobicContact CD1-CD2 4.25Å; L123-L126 VanDerWaalsContact O-CB 3.31Å; L123-L126 WeakPolarHBondContact O-CB 3.44Å; L123-L126 PolarHBondContact O-N 3.21Å; L123-L126 VanDerWaalsContact O-N 3.14Å; L123-L147 HydrophobicContact CB-CD2 3.77Å; L123-L147 WeakPolarHBondContact O-CD2 3.42Å
124	I	94.3	Very high	96.8	Very high	76 Å²	76	37.5 Å²	37.5	39%	0.39	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.2	-166.7	56.7	167.7	0	0	0	115.6	E100 G122 D146 T150	E100-I124 HydrophobicContact CB-CD1 4.32Å; E100-I124 HydrophobicContact CB-CG1 4.43Å; E100-I124 HydrophobicContact CG-CD1 4.42Å; G122-I124 PolarHBondContact O-N 2.95Å; I124-D146 HydrophobicContact CG2-CB 4.45Å; I124-T150 VanDerWaalsContact O-CG2 3.26Å; I124-T150 WeakPolarHBondContact O-CG2 3.44Å; I124-T150 PolarHBondContact O-OG1 2.88Å
125	N	96.3	Very high	96.8	Very high	78 Å²	78	35.7 Å²	35.7	42%	0.417	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	16	-180	-70.6	-70.3	0	0	0	113.8	E100 L102 L123 Q127	E100-N125 WeakPolarHBondContact O-CB 3.49Å; E100-N125 PolarHBondContact O-ND2 3.37Å; L102-N125 CarbonylContact O-C 3.13Å; L123-N125 VanDerWaalsContact C-N 3.29Å; L123-N125 PolarHBondContact O-N 3.07Å; L123-N125 VanDerWaalsContact O-N 3.14Å; N125-Q127 PolarHBondContact O-N 2.89Å
126	L	97.8	Very high	96.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.188	C	C	.	.			trans	-70.2	124.3	-176.3	-165.7	77.1	0	0	0	111.8	L102 L105 L123 L129 L147 T150 L151	L102-L126 HydrophobicContact CD2-CD1 4.05Å; L102-L126 HydrophobicContact CG-CD1 4.18Å; L102-L126 VanDerWaalsContact O-CA 3.29Å; L102-L126 WeakPolarHBondContact O-CA 3.49Å; L102-L126 PolarHBondContact O-N 2.91Å; L105-L126 HydrophobicContact CB-CD1 3.82Å; L105-L126 HydrophobicContact CB-CD2 4.43Å; L123-L126 HydrophobicContact CB-CB 4.22Å; L123-L126 HydrophobicContact CD1-CD2 4.25Å; L123-L126 VanDerWaalsContact O-CB 3.31Å; L123-L126 WeakPolarHBondContact O-CB 3.44Å; L123-L126 PolarHBondContact O-N 3.21Å; L123-L126 VanDerWaalsContact O-N 3.14Å; L126-L129 HydrophobicContact CD2-CB 3.92Å; L126-L129 HydrophobicContact CD2-CD1 4.16Å; L126-L129 HydrophobicContact CD2-CG 4.44Å; L126-L147 HydrophobicContact CB-CD2 4.11Å; L126-L147 HydrophobicContact CD2-CD1 4.43Å; L126-L147 HydrophobicContact CD2-CD2 4.1Å; L126-T150 CarbonylContact O-C 3.56Å; L126-L151 HydrophobicContact CD2-CD1 4.29Å; L126-L151 HydrophobicContact CG-CD1 4.44Å; L126-L151 WeakPolarHBondContact O-CA 3.34Å; L126-L151 PolarHBondContact O-N 2.83Å
127	Q	97.9	Very high	96.9	Very high	50 Å²	50	38.4 Å²	38.4	23%	0.234	20%	0.198	C	C	.	.			trans	-102.4	-33.2	178.7	-62.7	178.1	-83.1	0	0	111.8	R103 N125 E152 D153	R103-Q127 VanDerWaalsContact CD-OE1 3.31Å; R103-Q127 PolarHBondContact O-N 2.92Å; N125-Q127 PolarHBondContact O-N 2.89Å; Q127-E152 HydrophobicContact CB-CB 4.47Å; Q127-E152 HydrophobicContact CB-CG 4.41Å; Q127-E152 PolarHBondContact NE2-OE1 2.85Å; Q127-E152 WeakPolarHBondContact O-CA 3.32Å; Q127-E152 PolarHBondContact O-N 2.86Å; Q127-D153 PolarHBondContact O-N 2.91Å
128	H	98.4	Very high	96.9	Very high	66 Å²	66	43.1 Å²	43.1	31%	0.306	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	120.3	-177.5	-50.3	-77.8	0	0	0	111	R103 L105 D153	R103-H128 PolarHBondContact O-N 2.93Å; L105-H128 PolarHBondContact N-O 2.9Å; H128-D153 HydrophobicContact CB-CB 4.45Å; H128-D153 WeakPolarHBondContact ND1-CB 3.18Å; H128-D153 IonicContact ND1-OD2 3.94Å
129	L	98.3	Very high	97	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	104.6	175	179.7	58.3	0	0	0	109.9	L105 L120 L126 L131 F144 L147 L151 D153 L154 D155	L105-L129 HydrophobicContact CB-CD1 4.39Å; L105-L129 HydrophobicContact CD2-CD1 4.11Å; L105-L129 HydrophobicContact CG-CD1 4.34Å; L120-L129 HydrophobicContact CD1-CD1 4.28Å; L120-L129 HydrophobicContact CD1-CD2 3.66Å; L126-L129 HydrophobicContact CD2-CB 3.92Å; L126-L129 HydrophobicContact CD2-CD1 4.16Å; L126-L129 HydrophobicContact CD2-CG 4.44Å; L129-L131 HydrophobicContact CD1-CD1 3.92Å; L129-L131 HydrophobicContact CD1-CG 4.03Å; L129-L131 HydrophobicContact CD2-CD1 3.89Å; L129-L131 HydrophobicContact CG-CD1 3.81Å; L129-L131 HydrophobicContact CG-CG 4.2Å; L129-F144 HydrophobicContact CD2-CD1 4.46Å; L129-F144 HydrophobicContact CD2-CE1 3.96Å; L129-L147 HydrophobicContact CD2-CD1 3.89Å; L129-L151 HydrophobicContact CB-CD1 3.79Å; L129-D153 PolarHBondContact N-O 2.97Å; L129-L154 HydrophobicContact CB-CD1 4.25Å; L129-L154 HydrophobicContact CD2-CD1 4.01Å; L129-L154 HydrophobicContact CG-CD1 4.22Å; L129-D155 PolarHBondContact O-N 3Å
130	I	98.6	Very high	97	Very high	19 Å²	19	41.6 Å²	41.6	10%	0.097	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	103.2	-175.1	-48.5	-58.2	0	0	0	109.2	L105 L107 D108 D155	L105-I130 PolarHBondContact O-N 3.43Å; L107-I130 CarbonylContact C-O 3.45Å; L107-I130 WeakPolarHBondContact CA-O 3.43Å; L107-I130 PolarHBondContact N-O 2.91Å; D108-I130 HydrophobicContact CB-CG2 4.28Å; D108-I130 PolarHBondContact N-O 3.42Å; I130-D155 HydrophobicContact CD1-CB 3.88Å; I130-D155 HydrophobicContact CG2-CB 4.32Å
131	L	98.2	Very high	96.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.241	C	C	.	.			trans	-116.8	10.2	-174.6	-82.5	165.9	0	0	0	112.8	L107 L112 L115 L129 N134 L136 D155 L156 N159	L107-L131 HydrophobicContact CB-CD2 3.75Å; L107-L131 HydrophobicContact CD1-CD2 3.84Å; L107-L131 HydrophobicContact CG-CD2 4.46Å; L112-L131 HydrophobicContact CD1-CD2 3.8Å; L115-L131 HydrophobicContact CD2-CD1 4.31Å; L129-L131 HydrophobicContact CD1-CD1 3.92Å; L129-L131 HydrophobicContact CD1-CG 4.03Å; L129-L131 HydrophobicContact CD2-CD1 3.89Å; L129-L131 HydrophobicContact CG-CD1 3.81Å; L129-L131 HydrophobicContact CG-CG 4.2Å; L131-N134 PolarHBondContact O-ND2 2.94Å; L131-L136 HydrophobicContact CB-CD1 4.37Å; L131-D155 CarbonylContact C-O 3.49Å; L131-D155 WeakPolarHBondContact CA-O 3.45Å; L131-D155 PolarHBondContact N-O 2.1Å; L131-L156 HydrophobicContact CB-CD2 3.87Å; L131-L156 HydrophobicContact CD1-CD2 3.8Å; L131-N159 PolarHBondContact O-ND2 2.89Å
132	N	98.3	Very high	96.9	Very high	38 Å²	38	45.2 Å²	45.2	20%	0.203	24%	0.239	C	C	.	.			trans	-65.7	159.9	-173.9	69.4	-2.1	0	0	0	114.5	D108 S109 N134 D155 S157	D108-N132 CarbonylContact C-O 3.01Å; D108-N132 VanDerWaalsContact CA-O 3.31Å; D108-N132 WeakPolarHBondContact CA-O 3.22Å; D108-N132 WeakPolarHBondContact CB-OD1 3.37Å; S109-N132 PolarHBondContact N-O 2.95Å; N132-N134 VanDerWaalsContact C-N 3.33Å; N132-N134 PolarHBondContact O-N 2.93Å; N132-N134 PolarHBondContact O-ND2 3.38Å; N132-D155 WeakPolarHBondContact CB-OD1 3.24Å; N132-D155 VanDerWaalsContact CG-OD2 3.29Å; N132-D155 PolarHBondContact N-O 2.85Å; N132-D155 PolarHBondContact ND2-OD2 3.39Å; N132-S157 CarbonylContact C-O 3.6Å; N132-S157 WeakPolarHBondContact CA-O 3.41Å; N132-S157 VanDerWaalsContact CB-O 3.25Å; N132-S157 WeakPolarHBondContact CB-O 3.42Å
133	N	98.4	Very high	97.1	Very high	84 Å²	84	44.8 Å²	44.8	45%	0.449	24%	0.235	S	C	.	.	S	Bend	trans	54.8	47.4	-179.3	-170.4	39.4	0	0	0	112.2	S109 N110 S157 Y158	S109-N133 WeakPolarHBondContact CA-O 3.04Å; S109-N133 WeakPolarHBondContact CB-ND2 3.48Å; S109-N133 PolarHBondContact N-O 2.8Å; S109-N133 PolarHBondContact OG-ND2 3.2Å; N110-N133 PolarHBondContact N-O 3.44Å; N133-S157 PolarHBondContact N-O 2.86Å; N133-Y158 VanDerWaalsContact CA-O 3.26Å; N133-Y158 WeakPolarHBondContact CA-O 3.43Å; N133-Y158 PolarHBondContact N-O 3.23Å
134	N	98.5	Very high	97.1	Very high	11 Å²	11	44.8 Å²	44.8	6%	0.059	24%	0.235	C	C	.	.	S	Bend	trans	-113	-158	174.5	-91.2	-79	0	0	0	109.4	L107 N110 R111 L112 L131 N132 L136 Y158 N159	L107-N134 PolarHBondContact O-ND2 3.29Å; N110-N134 VanDerWaalsContact CA-OD1 3.32Å; N110-N134 WeakPolarHBondContact CA-OD1 3.11Å; N110-N134 WeakPolarHBondContact CB-OD1 3.41Å; R111-N134 PolarHBondContact N-OD1 2.91Å; L112-N134 HydrophobicContact CB-CB 4.42Å; L112-N134 WeakPolarHBondContact CB-OD1 3.3Å; L112-N134 PolarHBondContact N-OD1 3.26Å; L112-N134 VanDerWaalsContact N-OD1 3.07Å; L131-N134 PolarHBondContact O-ND2 2.94Å; N132-N134 VanDerWaalsContact C-N 3.33Å; N132-N134 PolarHBondContact O-N 2.93Å; N132-N134 PolarHBondContact O-ND2 3.38Å; N134-L136 HydrophobicContact CB-CG 4.24Å; N134-Y158 PolarHBondContact N-O 2.8Å; N134-N159 VanDerWaalsContact CA-OD1 3.31Å; N134-N159 WeakPolarHBondContact CA-OD1 3.29Å; N134-N159 WeakPolarHBondContact CB-OD1 2.94Å
135	Q	97.6	Very high	97.1	Very high	86 Å²	86	44.7 Å²	44.7	40%	0.402	24%	0.235	S	C	.	.			trans	-125.7	17.5	180	-56.3	-172.4	10.5	0	0	112.1	L112 T113 N137 N159 N160	L112-Q135 CarbonylContact O-C 3.21Å; L112-Q135 VanDerWaalsContact O-CA 3.28Å; L112-Q135 WeakPolarHBondContact O-CA 3.3Å; L112-Q135 PolarHBondContact O-N 2.59Å; T113-Q135 HydrophobicContact CG2-CB 4.46Å; Q135-N137 PolarHBondContact O-N 3.26Å; Q135-N159 PolarHBondContact N-OD1 2.87Å; Q135-N160 WeakPolarHBondContact CA-ND2 3.2Å; Q135-N160 PolarHBondContact O-ND2 3.04Å
136	L	98.1	Very high	97	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.224	C	C	.	.			trans	-56.5	118.1	-170.4	-63.2	171.8	0	0	0	111.1	L112 T113 L115 L131 N134 L156 N159 N160 L161	L112-L136 HydrophobicContact CB-CD2 3.77Å; L112-L136 HydrophobicContact CB-CG 4.45Å; L112-L136 PolarHBondContact O-N 3.35Å; L112-L136 VanDerWaalsContact O-N 3.08Å; T113-L136 CarbonylContact O-C 3.4Å; T113-L136 WeakPolarHBondContact O-CA 3.44Å; L115-L136 HydrophobicContact CB-CD2 4.45Å; L131-L136 HydrophobicContact CB-CD1 4.37Å; N134-L136 HydrophobicContact CB-CG 4.24Å; L136-L156 HydrophobicContact CD1-CD2 4.22Å; L136-N159 HydrophobicContact CB-CB 4.23Å; L136-N159 WeakPolarHBondContact CB-OD1 3.36Å; L136-N159 WeakPolarHBondContact CG-OD1 3.41Å; L136-N159 PolarHBondContact N-OD1 3.3Å; L136-N160 CarbonylContact O-C 3.52Å; L136-N160 VanDerWaalsContact O-CA 3.23Å; L136-N160 WeakPolarHBondContact O-CA 3.41Å; L136-N160 WeakPolarHBondContact O-CB 3.42Å; L136-N160 PolarHBondContact O-N 3.08Å; L136-L161 HydrophobicContact CB-CD2 3.84Å; L136-L161 HydrophobicContact CB-CG 4.27Å; L136-L161 PolarHBondContact O-N 3Å; L136-L161 VanDerWaalsContact O-N 3.15Å
137	N	96.8	Very high	96.9	Very high	86 Å²	86	42.7 Å²	42.7	46%	0.46	22%	0.224	S	C	.	.			trans	-95.8	-28.5	176.6	64.8	12.9	0	0	0	112.5	T113 Q135 N160	T113-N137 VanDerWaalsContact O-CG 3.26Å; T113-N137 PolarHBondContact O-N 3.15Å; T113-N137 PolarHBondContact O-OD1 3.26Å; Q135-N137 PolarHBondContact O-N 3.26Å; N137-N160 HydrophobicContact CB-CB 4.46Å
138	Q	95.9	Very high	96.7	Very high	129 Å²	129	41.5 Å²	41.5	60%	0.603	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-151.1	147.6	-175.2	-178.2	170.2	-3.4	0	0	109.9	E114 L115	E114-Q138 WeakPolarHBondContact CA-O 3.36Å; L115-Q138 PolarHBondContact N-O 2.86Å
139	I	97.5	Very high	96.4	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.051	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	138.7	170.1	-67.3	163.1	0	0	0	106.4	L115 A143 F144 L156 L161 V164 P165	L115-I139 HydrophobicContact CB-CG1 4.11Å; L115-I139 HydrophobicContact CB-CG2 4.42Å; L115-I139 HydrophobicContact CD2-CG1 4.48Å; L115-I139 HydrophobicContact CD2-CG2 4.17Å; I139-A143 HydrophobicContact CG2-CB 3.94Å; I139-F144 HydrophobicContact CD1-CZ 4.18Å; I139-F144 HydrophobicContact CG2-CE1 4.41Å; I139-F144 HydrophobicContact CG2-CE2 4.27Å; I139-F144 HydrophobicContact CG2-CZ 4.02Å; I139-L156 HydrophobicContact CD1-CD1 4.08Å; I139-L156 HydrophobicContact CD1-CD2 3.91Å; I139-L161 HydrophobicContact CD1-CD1 3.98Å; I139-L161 HydrophobicContact CD1-CD2 3.75Å; I139-L161 HydrophobicContact CG1-CD2 3.88Å; I139-V164 HydrophobicContact CD1-CG1 4.38Å; I139-P165 HydrophobicContact CG2-CG 4.08Å
140	S	96.9	Very high	96.2	Very high	37 Å²	37	46 Å²	46	26%	0.259	25%	0.246	S	C	.	.			trans	-71.9	143.2	176.2	-168.8	0	0	0	0	111.6	L115 S142 A143	L115-S140 WeakPolarHBondContact O-CB 3.46Å; L115-S140 PolarHBondContact O-N 3.17Å; S140-S142 PolarHBondContact O-N 3.38Å; S140-S142 VanDerWaalsContact O-N 3.17Å; S140-A143 VanDerWaalsContact O-CB 3.23Å; S140-A143 WeakPolarHBondContact O-CB 3.34Å; S140-A143 PolarHBondContact O-N 3.35Å
141	D	94.3	Very high	96.2	Very high	125 Å²	125	45.1 Å²	45.1	67%	0.668	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-30.5	-173.3	-63.6	-61.6	0	0	0	114.2
142	S	95.3	Very high	96.1	Very high	42 Å²	42	47.7 Å²	47.7	29%	0.294	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-0.3	177.4	55.4	0	0	0	0	114.7	A117 S140 F144 D145	A117-S142 VanDerWaalsContact CB-OG 3.27Å; A117-S142 WeakPolarHBondContact CB-OG 3.13Å; S140-S142 PolarHBondContact O-N 3.38Å; S140-S142 VanDerWaalsContact O-N 3.17Å; S142-F144 PolarHBondContact O-N 3.37Å; S142-D145 WeakPolarHBondContact CA-OD2 3.29Å; S142-D145 WeakPolarHBondContact CB-OD2 3.22Å; S142-D145 WeakPolarHBondContact O-CB 3.45Å; S142-D145 PolarHBondContact O-N 2.9Å
143	A	96.5	Very high	96.1	Very high	4 Å²	4	47.3 Å²	47.3	3%	0.033	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.7	-175.9	0	0	0	0	0	114.1	L115 I139 S140	L115-A143 HydrophobicContact CD2-CB 4.18Å; L115-A143 HydrophobicContact CG-CB 4.26Å; I139-A143 HydrophobicContact CG2-CB 3.94Å; S140-A143 VanDerWaalsContact O-CB 3.23Å; S140-A143 WeakPolarHBondContact O-CB 3.34Å; S140-A143 PolarHBondContact O-N 3.35Å
144	F	96.3	Very high	96.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	6.3	178	-58.1	-30.6	0	0	0	114	L115 L120 L129 I139 S142 D146 L147 L148 L154 L156 P165 A168 M172	L115-F144 HydrophobicContact CD2-CE1 3.93Å; L120-F144 HydrophobicContact CD1-CD1 4.32Å; L120-F144 HydrophobicContact CD1-CE1 4.27Å; L129-F144 HydrophobicContact CD2-CD1 4.46Å; L129-F144 HydrophobicContact CD2-CE1 3.96Å; I139-F144 HydrophobicContact CD1-CZ 4.18Å; I139-F144 HydrophobicContact CG2-CE1 4.41Å; I139-F144 HydrophobicContact CG2-CE2 4.27Å; I139-F144 HydrophobicContact CG2-CZ 4.02Å; S142-F144 PolarHBondContact O-N 3.37Å; F144-D146 VanDerWaalsContact C-N 3.26Å; F144-D146 PolarHBondContact O-N 3.34Å; F144-L147 HydrophobicContact CB-CD1 4.35Å; F144-L147 HydrophobicContact CD1-CD1 3.79Å; F144-L147 HydrophobicContact CG-CD1 4.42Å; F144-L147 WeakPolarHBondContact O-CB 3.18Å; F144-L147 PolarHBondContact O-N 2.96Å; F144-L148 WeakPolarHBondContact O-CD2 3.23Å; F144-L148 WeakPolarHBondContact O-CG 3.07Å; F144-L148 PolarHBondContact O-N 2.97Å; F144-L154 HydrophobicContact CE2-CD2 4.47Å; F144-L156 HydrophobicContact CZ-CD1 4.44Å; F144-P165 HydrophobicContact CD2-CG 3.6Å; F144-P165 HydrophobicContact CE2-CG 3.67Å; F144-A168 HydrophobicContact CB-CB 4.2Å; F144-A168 HydrophobicContact CD2-CB 4.43Å; F144-M172 HydrophobicContact CB-CE 3.64Å; F144-M172 HydrophobicContact CD2-CE 3.72Å; F144-M172 HydrophobicContact CG-CE 3.88Å
145	D	94.3	Very high	96.1	Very high	73 Å²	73	43.8 Å²	43.8	39%	0.39	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.2	-172.8	-82.1	-19.2	0	0	0	113.9	S142 L147 L148	S142-D145 WeakPolarHBondContact CA-OD2 3.29Å; S142-D145 WeakPolarHBondContact CB-OD2 3.22Å; S142-D145 WeakPolarHBondContact O-CB 3.45Å; S142-D145 PolarHBondContact O-N 2.9Å; D145-L147 VanDerWaalsContact C-N 3.35Å; D145-L148 WeakPolarHBondContact O-CG 3.42Å
146	D	94	Very high	96.2	Very high	35 Å²	35	39.7 Å²	39.7	19%	0.187	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-12.5	175.8	-70.3	-12.6	0	0	0	113.4	R121 G122 I124 F144	R121-D146 VanDerWaalsContact CZ-CG 3.42Å; R121-D146 IonicContact CZ-OD1 3.95Å; R121-D146 IonicContact CZ-OD2 2.69Å; R121-D146 IonicContact NE-OD2 2.71Å; R121-D146 IonicContact NH1-OD1 2.72Å; R121-D146 PolarHBondContact NH1-OD1 2.77Å; R121-D146 IonicContact NH1-OD2 3.56Å; R121-D146 PolarHBondContact NH1-OD2 3.08Å; R121-D146 IonicContact NH2-OD1 3.58Å; R121-D146 PolarHBondContact NH2-OD1 3.12Å; R121-D146 IonicContact NH2-OD2 2.79Å; R121-D146 PolarHBondContact NH2-OD2 2.98Å; G122-D146 PolarHBondContact N-OD2 2.7Å; I124-D146 HydrophobicContact CG2-CB 4.45Å; F144-D146 VanDerWaalsContact C-N 3.26Å; F144-D146 PolarHBondContact O-N 3.34Å
147	L	95.1	Very high	96.2	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-11.5	-173.1	-44.5	-177	0	0	0	113.2	L120 L123 L126 L129 F144 D145 L149 T150 L151	L120-L147 HydrophobicContact CD1-CD1 4.1Å; L123-L147 HydrophobicContact CB-CD2 3.77Å; L123-L147 WeakPolarHBondContact O-CD2 3.42Å; L126-L147 HydrophobicContact CB-CD2 4.11Å; L126-L147 HydrophobicContact CD2-CD1 4.43Å; L126-L147 HydrophobicContact CD2-CD2 4.1Å; L129-L147 HydrophobicContact CD2-CD1 3.89Å; F144-L147 HydrophobicContact CB-CD1 4.35Å; F144-L147 HydrophobicContact CD1-CD1 3.79Å; F144-L147 HydrophobicContact CG-CD1 4.42Å; F144-L147 WeakPolarHBondContact O-CB 3.18Å; F144-L147 PolarHBondContact O-N 2.96Å; D145-L147 VanDerWaalsContact C-N 3.35Å; L147-L149 PolarHBondContact O-N 2.88Å; L147-T150 PolarHBondContact O-N 3.34Å; L147-T150 VanDerWaalsContact O-N 3.11Å; L147-L151 HydrophobicContact CB-CB 4.41Å; L147-L151 PolarHBondContact O-N 2.96Å; L147-L151 VanDerWaalsContact O-N 3.11Å
148	L	93.4	Very high	96.3	Very high	26 Å²	26	41.5 Å²	41.5	14%	0.136	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.7	-163.9	-58.6	178	0	0	0	114.7	F144 D145 A168 K171 M172	F144-L148 WeakPolarHBondContact O-CD2 3.23Å; F144-L148 WeakPolarHBondContact O-CG 3.07Å; F144-L148 PolarHBondContact O-N 2.97Å; D145-L148 WeakPolarHBondContact O-CG 3.42Å; L148-A168 HydrophobicContact CD2-CB 3.83Å; L148-A168 WeakPolarHBondContact CD2-O 3.34Å; L148-K171 HydrophobicContact CB-CB 4.44Å; L148-K171 HydrophobicContact CD1-CD 3.93Å; L148-K171 HydrophobicContact CD2-CB 4.39Å; L148-K171 VanDerWaalsContact O-O 3.11Å; L148-M172 HydrophobicContact CD2-CE 4.31Å; L148-M172 WeakPolarHBondContact O-CA 3.15Å
149	L	92.1	Very high	96.4	Very high	126 Å²	126	35.8 Å²	35.8	66%	0.66	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-3.6	-176	-62.1	180	0	0	0	113.8	L147 N174	L147-L149 PolarHBondContact O-N 2.88Å; L149-N174 PolarHBondContact O-ND2 3.41Å
150	T	95.3	Very high	96.4	Very high	33 Å²	33	39 Å²	39	20%	0.202	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-21	-168.3	38.6	0	0	0	0	114.4	I124 L126 L147	I124-T150 VanDerWaalsContact O-CG2 3.26Å; I124-T150 WeakPolarHBondContact O-CG2 3.44Å; I124-T150 PolarHBondContact O-OG1 2.88Å; L126-T150 CarbonylContact O-C 3.56Å; L147-T150 PolarHBondContact O-N 3.34Å; L147-T150 VanDerWaalsContact O-N 3.11Å
151	L	97.3	Very high	96.5	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.193	C	C	.	.			trans	-69.9	131.2	-179.2	-158.7	69.2	0	0	0	112.7	L126 L129 L147 L154 M172 N174 L175	L126-L151 HydrophobicContact CD2-CD1 4.29Å; L126-L151 HydrophobicContact CG-CD1 4.44Å; L126-L151 WeakPolarHBondContact O-CA 3.34Å; L126-L151 PolarHBondContact O-N 2.83Å; L129-L151 HydrophobicContact CB-CD1 3.79Å; L147-L151 HydrophobicContact CB-CB 4.41Å; L147-L151 PolarHBondContact O-N 2.96Å; L147-L151 VanDerWaalsContact O-N 3.11Å; L151-L154 HydrophobicContact CD2-CB 3.95Å; L151-L154 HydrophobicContact CD2-CD1 4.2Å; L151-L154 HydrophobicContact CD2-CD2 4.32Å; L151-L154 HydrophobicContact CD2-CG 4.38Å; L151-M172 HydrophobicContact CD2-CE 4.16Å; L151-M172 HydrophobicContact CD2-SD 4Å; L151-N174 CarbonylContact O-C 3.54Å; L151-N174 VanDerWaalsContact O-C 3.26Å; L151-L175 HydrophobicContact CD2-CD1 4.48Å; L151-L175 HydrophobicContact CG-CD1 4.43Å; L151-L175 PolarHBondContact O-N 2.82Å
152	E	97.1	Very high	96.6	Very high	55 Å²	55	40.2 Å²	40.2	26%	0.257	20%	0.195	S	C	.	.			trans	-117.8	-29.3	-178.7	-66.2	-172.4	-148.4	0	0	112.9	Q127 N174 H176 Q177	Q127-E152 HydrophobicContact CB-CB 4.47Å; Q127-E152 HydrophobicContact CB-CG 4.41Å; Q127-E152 PolarHBondContact NE2-OE1 2.85Å; Q127-E152 WeakPolarHBondContact O-CA 3.32Å; Q127-E152 PolarHBondContact O-N 2.86Å; E152-N174 HydrophobicContact CG-CB 4.41Å; E152-H176 PolarHBondContact O-N 3.01Å; E152-H176 IonicContact OE2-CE1 2.65Å; E152-H176 PolarHBondContact OE2-CE1 2.84Å; E152-H176 IonicContact OE2-ND1 2.71Å; E152-H176 PolarHBondContact OE2-ND1 2.85Å; E152-Q177 PolarHBondContact O-N 2.04Å; E152-Q177 VanDerWaalsContact O-N 3.14Å
153	D	98.1	Very high	96.6	Very high	29 Å²	29	40.2 Å²	40.2	16%	0.155	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	122.3	179.2	-166.3	4.5	0	0	0	110.6	Q127 H128 L129 Q177	Q127-D153 PolarHBondContact O-N 2.91Å; H128-D153 HydrophobicContact CB-CB 4.45Å; H128-D153 WeakPolarHBondContact ND1-CB 3.18Å; H128-D153 IonicContact ND1-OD2 3.94Å; L129-D153 PolarHBondContact N-O 2.97Å; D153-Q177 VanDerWaalsContact CG-NE2 3.27Å; D153-Q177 WeakPolarHBondContact OD1-CB 3.42Å; D153-Q177 WeakPolarHBondContact OD1-CG 3.31Å; D153-Q177 PolarHBondContact OD1-NE2 2.8Å; D153-Q177 PolarHBondContact OD2-NE2 3.08Å; D153-Q177 VanDerWaalsContact OD2-NE2 3.13Å
154	L	98.3	Very high	96.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	109.3	179.5	177.9	58.4	0	0	0	110.1	L129 F144 L151 L156 M172 L175 Q177 M178 S179	L129-L154 HydrophobicContact CB-CD1 4.25Å; L129-L154 HydrophobicContact CD2-CD1 4.01Å; L129-L154 HydrophobicContact CG-CD1 4.22Å; F144-L154 HydrophobicContact CE2-CD2 4.47Å; L151-L154 HydrophobicContact CD2-CB 3.95Å; L151-L154 HydrophobicContact CD2-CD1 4.2Å; L151-L154 HydrophobicContact CD2-CD2 4.32Å; L151-L154 HydrophobicContact CD2-CG 4.38Å; L154-L156 HydrophobicContact CD1-CD1 4.05Å; L154-L156 HydrophobicContact CD1-CD2 4.46Å; L154-L156 HydrophobicContact CD1-CG 3.91Å; L154-L156 HydrophobicContact CD2-CD1 4.07Å; L154-L156 HydrophobicContact CG-CD1 4.07Å; L154-L156 HydrophobicContact CG-CG 4.19Å; L154-M172 HydrophobicContact CD2-SD 4.47Å; L154-L175 HydrophobicContact CB-CD1 3.93Å; L154-Q177 PolarHBondContact N-O 2.88Å; L154-Q177 VanDerWaalsContact N-O 3.08Å; L154-M178 HydrophobicContact CD2-CE 4.15Å; L154-M178 WeakPolarHBondContact O-CA 3.11Å; L154-S179 PolarHBondContact O-N 3.4Å
155	D	98.6	Very high	96.6	Very high	22 Å²	22	40.7 Å²	40.7	12%	0.118	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	107.9	176.8	-171.8	2.5	0	0	0	111.2	L129 I130 L131 N132 S157 S179	L129-D155 PolarHBondContact O-N 3Å; I130-D155 HydrophobicContact CD1-CB 3.88Å; I130-D155 HydrophobicContact CG2-CB 4.32Å; L131-D155 CarbonylContact C-O 3.49Å; L131-D155 WeakPolarHBondContact CA-O 3.45Å; L131-D155 PolarHBondContact N-O 2.1Å; N132-D155 WeakPolarHBondContact CB-OD1 3.24Å; N132-D155 VanDerWaalsContact CG-OD2 3.29Å; N132-D155 PolarHBondContact N-O 2.85Å; N132-D155 PolarHBondContact ND2-OD2 3.39Å; D155-S157 WeakPolarHBondContact OD1-CB 3.33Å; D155-S157 PolarHBondContact OD1-N 2.94Å; D155-S157 PolarHBondContact OD1-OG 3.47Å; D155-S179 WeakPolarHBondContact OD1-CB 3.45Å
156	L	98.4	Very high	96.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.182	C	C	.	.			trans	-112.8	13.8	178.4	-71.3	168	0	0	0	111.8	L131 L136 I139 F144 L154 N159 L161 V164 S179 L180 N183	L131-L156 HydrophobicContact CB-CD2 3.87Å; L131-L156 HydrophobicContact CD1-CD2 3.8Å; L136-L156 HydrophobicContact CD1-CD2 4.22Å; I139-L156 HydrophobicContact CD1-CD1 4.08Å; I139-L156 HydrophobicContact CD1-CD2 3.91Å; F144-L156 HydrophobicContact CZ-CD1 4.44Å; L154-L156 HydrophobicContact CD1-CD1 4.05Å; L154-L156 HydrophobicContact CD1-CD2 4.46Å; L154-L156 HydrophobicContact CD1-CG 3.91Å; L154-L156 HydrophobicContact CD2-CD1 4.07Å; L154-L156 HydrophobicContact CG-CD1 4.07Å; L154-L156 HydrophobicContact CG-CG 4.19Å; L156-N159 PolarHBondContact O-ND2 2.87Å; L156-L161 HydrophobicContact CB-CD1 4.01Å; L156-L161 HydrophobicContact CD1-CD1 4.35Å; L156-L161 HydrophobicContact CD2-CD1 4.35Å; L156-L161 HydrophobicContact CG-CD1 4.49Å; L156-V164 HydrophobicContact CD1-CG1 4.07Å; L156-S179 PolarHBondContact N-O 3.38Å; L156-L180 HydrophobicContact CB-CD2 4.06Å; L156-L180 HydrophobicContact CD1-CD2 4.02Å; L156-N183 PolarHBondContact O-ND2 3.44Å
157	S	98.5	Very high	96.7	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.021	20%	0.196	C	C	.	.			trans	-67.3	157.4	-169.9	-44	0	0	0	0	113	N132 N133 D155 N159 S179 D181	N132-S157 CarbonylContact C-O 3.6Å; N132-S157 WeakPolarHBondContact CA-O 3.41Å; N132-S157 VanDerWaalsContact CB-O 3.25Å; N132-S157 WeakPolarHBondContact CB-O 3.42Å; N133-S157 PolarHBondContact N-O 2.86Å; D155-S157 WeakPolarHBondContact OD1-CB 3.33Å; D155-S157 PolarHBondContact OD1-N 2.94Å; D155-S157 PolarHBondContact OD1-OG 3.47Å; S157-N159 PolarHBondContact O-ND2 2.85Å; S157-S179 VanDerWaalsContact OG-C 3.28Å; S157-S179 WeakPolarHBondContact OG-CB 3.48Å; S157-S179 PolarHBondContact OG-O 3.11Å; S157-D181 CarbonylContact C-O 3.58Å; S157-D181 WeakPolarHBondContact CA-O 3.25Å; S157-D181 WeakPolarHBondContact CB-O 3.37Å; S157-D181 WeakPolarHBondContact CB-OD1 3.27Å; S157-D181 PolarHBondContact OG-OD1 3.24Å; S157-D181 VanDerWaalsContact OG-OD1 3.11Å
158	Y	98.5	Very high	96.7	Very high	121 Å²	121	41.3 Å²	41.3	48%	0.475	20%	0.197	S	C	.	.	S	Bend	trans	53	62.1	-176.3	-62.2	-101.2	0	0	0	112.1	N133 N134 D181 H182	N133-Y158 VanDerWaalsContact CA-O 3.26Å; N133-Y158 WeakPolarHBondContact CA-O 3.43Å; N133-Y158 PolarHBondContact N-O 3.23Å; N134-Y158 PolarHBondContact N-O 2.8Å; Y158-D181 WeakPolarHBondContact CE2-OD2 3.26Å; Y158-D181 PolarHBondContact N-O 3.11Å; Y158-H182 WeakPolarHBondContact CA-O 3.35Å; Y158-H182 HydrophobicContact CD1-CB 3.8Å; Y158-H182 HydrophobicContact CD2-CB 4.2Å; Y158-H182 HydrophobicContact CE1-CB 3.97Å; Y158-H182 AromaticContact CE1-CG 3.67Å; Y158-H182 AromaticContact CE1-ND1 3.8Å; Y158-H182 HydrophobicContact CE2-CB 4.34Å; Y158-H182 AromaticContact CE2-ND1 3.63Å; Y158-H182 HydrophobicContact CG-CB 3.92Å; Y158-H182 AromaticContact CZ-CE1 3.82Å; Y158-H182 AromaticContact CZ-CG 3.71Å; Y158-H182 AromaticContact CZ-ND1 3.33Å; Y158-H182 VanDerWaalsContact CZ-ND1 3.33Å; Y158-H182 PolarHBondContact OH-CE1 2.82Å; Y158-H182 PolarHBondContact OH-ND1 3.21Å
159	N	98.6	Very high	96.8	Very high	8 Å²	8	40 Å²	40	4%	0.043	19%	0.191	C	C	.	.	S	Bend	trans	-137.5	-175.5	176.7	-86.2	-72.3	0	0	0	110.2	L131 N134 Q135 L136 L156 S157 L161 H182 N183	L131-N159 PolarHBondContact O-ND2 2.89Å; N134-N159 VanDerWaalsContact CA-OD1 3.31Å; N134-N159 WeakPolarHBondContact CA-OD1 3.29Å; N134-N159 WeakPolarHBondContact CB-OD1 2.94Å; Q135-N159 PolarHBondContact N-OD1 2.87Å; L136-N159 HydrophobicContact CB-CB 4.23Å; L136-N159 WeakPolarHBondContact CB-OD1 3.36Å; L136-N159 WeakPolarHBondContact CG-OD1 3.41Å; L136-N159 PolarHBondContact N-OD1 3.3Å; L156-N159 PolarHBondContact O-ND2 2.87Å; S157-N159 PolarHBondContact O-ND2 2.85Å; N159-L161 HydrophobicContact CB-CD1 4.25Å; N159-L161 HydrophobicContact CB-CG 4.13Å; N159-H182 PolarHBondContact N-O 3.12Å; N159-N183 WeakPolarHBondContact CA-OD1 3.49Å; N159-N183 WeakPolarHBondContact CB-OD1 3.34Å; N159-N183 PolarHBondContact O-OD1 2.79Å
160	N	98.1	Very high	97	Very high	77 Å²	77	36.8 Å²	36.8	41%	0.412	17%	0.17	S	C	.	.			trans	-106.4	19.3	-178.8	-60.9	-64.8	0	0	0	112.9	Q135 L136 N137 R162 L184	Q135-N160 WeakPolarHBondContact CA-ND2 3.2Å; Q135-N160 PolarHBondContact O-ND2 3.04Å; L136-N160 CarbonylContact O-C 3.52Å; L136-N160 VanDerWaalsContact O-CA 3.23Å; L136-N160 WeakPolarHBondContact O-CA 3.41Å; L136-N160 WeakPolarHBondContact O-CB 3.42Å; L136-N160 PolarHBondContact O-N 3.08Å; N137-N160 HydrophobicContact CB-CB 4.46Å; N160-R162 PolarHBondContact O-N 2.81Å; N160-L184 HydrophobicContact CB-CD1 4.45Å
161	L	98.1	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.181	C	C	.	.			trans	-67.9	126.7	-167.9	-62.5	166.2	0	0	0	111.2	L136 I139 L156 N159 V164 N183 L184 I185	L136-L161 HydrophobicContact CB-CD2 3.84Å; L136-L161 HydrophobicContact CB-CG 4.27Å; L136-L161 PolarHBondContact O-N 3Å; L136-L161 VanDerWaalsContact O-N 3.15Å; I139-L161 HydrophobicContact CD1-CD1 3.98Å; I139-L161 HydrophobicContact CD1-CD2 3.75Å; I139-L161 HydrophobicContact CG1-CD2 3.88Å; L156-L161 HydrophobicContact CB-CD1 4.01Å; L156-L161 HydrophobicContact CD1-CD1 4.35Å; L156-L161 HydrophobicContact CD2-CD1 4.35Å; L156-L161 HydrophobicContact CG-CD1 4.49Å; N159-L161 HydrophobicContact CB-CD1 4.25Å; N159-L161 HydrophobicContact CB-CG 4.13Å; L161-V164 HydrophobicContact CD1-CG1 3.94Å; L161-N183 VanDerWaalsContact CB-OD1 3.27Å; L161-N183 WeakPolarHBondContact CB-OD1 3.46Å; L161-N183 WeakPolarHBondContact CG-OD1 3.12Å; L161-N183 PolarHBondContact N-OD1 3.12Å; L161-L184 CarbonylContact O-C 3.58Å; L161-L184 VanDerWaalsContact O-CA 3.22Å; L161-L184 WeakPolarHBondContact O-CA 3.36Å; L161-L184 WeakPolarHBondContact O-CB 3.34Å; L161-L184 PolarHBondContact O-N 2.9Å; L161-I185 WeakPolarHBondContact O-CG1 3.47Å; L161-I185 PolarHBondContact O-N 3.32Å; L161-I185 VanDerWaalsContact O-N 3.12Å
162	R	96.3	Very high	96.8	Very high	188 Å²	188	40 Å²	40	71%	0.709	18%	0.181	S	C	*	.	S	Bend	trans	-89.2	-24.6	174.1	-63.8	-175.2	178.7	-155.4	1	113.5	N160 L184 I185	N160-R162 PolarHBondContact O-N 2.81Å; R162-L184 HydrophobicContact CG-CB 4.33Å; R162-I185 WeakPolarHBondContact O-CA 3.47Å
163	S	96.3	Very high	96.6	Very high	43 Å²	43	40.4 Å²	40.4	30%	0.301	19%	0.187	S	C	.	.			trans	-156.7	163.7	172.6	-167.7	0	0	0	0	107.9	W166	S163-W166 PolarHBondContact OG-NE1 2.87Å
164	V	96.6	Very high	96.4	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.042	19%	0.191	C	C	.	.			trans	-122.5	164.2	169.1	-69.2	0	0	0	0	108.7	I139 L156 L161 W166 I169 L180 I185	I139-V164 HydrophobicContact CD1-CG1 4.38Å; L156-V164 HydrophobicContact CD1-CG1 4.07Å; L161-V164 HydrophobicContact CD1-CG1 3.94Å; V164-W166 VanDerWaalsContact C-N 3.32Å; V164-W166 HydrophobicContact CG2-CD2 3.81Å; V164-W166 HydrophobicContact CG2-CE3 3.56Å; V164-W166 HydrophobicContact CG2-CH2 3.38Å; V164-W166 HydrophobicContact CG2-CZ2 3.6Å; V164-W166 HydrophobicContact CG2-CZ3 3.35Å; V164-W166 PolarHBondContact O-N 3.36Å; V164-I169 HydrophobicContact CB-CD1 3.79Å; V164-I169 HydrophobicContact CG2-CD1 3.4Å; V164-I169 VanDerWaalsContact CG2-CD1 3.4Å; V164-L180 HydrophobicContact CG1-CD2 4.04Å; V164-I185 HydrophobicContact CG1-CD1 4.42Å
165	P	96.4	Very high	96.3	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.039	19%	0.191	C	C	.	.			trans	-73.4	82.4	-179.1	29.9	-37.6	0	0	0	112.1	I139 F144 E167 A168 I169	I139-P165 HydrophobicContact CG2-CG 4.08Å; F144-P165 HydrophobicContact CD2-CG 3.6Å; F144-P165 HydrophobicContact CE2-CG 3.67Å; P165-E167 PolarHBondContact O-N 2.73Å; P165-E167 VanDerWaalsContact O-N 3.16Å; P165-A168 HydrophobicContact CB-CB 4.18Å; P165-A168 HydrophobicContact CG-CB 4.35Å; P165-A168 WeakPolarHBondContact O-CB 3.44Å; P165-A168 PolarHBondContact O-N 3.42Å; P165-I169 PolarHBondContact O-N 3.2Å
166	W	95.6	Very high	96.1	Very high	14 Å²	14	43.5 Å²	43.5	5%	0.053	20%	0.201	C	C	.	.	H	α-helix	trans	-56.7	-31.8	-175.1	-57.7	118.2	0	0	0	114	S163 V164 A168 I169 R170 L180 I185 F187 I188 A189 T192	S163-W166 PolarHBondContact OG-NE1 2.87Å; V164-W166 VanDerWaalsContact C-N 3.32Å; V164-W166 HydrophobicContact CG2-CD2 3.81Å; V164-W166 HydrophobicContact CG2-CE3 3.56Å; V164-W166 HydrophobicContact CG2-CH2 3.38Å; V164-W166 HydrophobicContact CG2-CZ2 3.6Å; V164-W166 HydrophobicContact CG2-CZ3 3.35Å; V164-W166 PolarHBondContact O-N 3.36Å; W166-A168 VanDerWaalsContact C-N 3.34Å; W166-I169 HydrophobicContact CE3-CD1 4.1Å; W166-I169 HydrophobicContact CZ3-CD1 4.48Å; W166-I169 PolarHBondContact O-N 2.94Å; W166-R170 PolarHBondContact O-N 2.82Å; W166-L180 HydrophobicContact CH2-CD1 4.16Å; W166-L180 HydrophobicContact CZ3-CD1 4.3Å; W166-I185 HydrophobicContact CH2-CG2 4.2Å; W166-I185 HydrophobicContact CZ2-CG2 3.77Å; W166-F187 VanDerWaalsContact CZ2-O 3.29Å; W166-F187 WeakPolarHBondContact CZ2-O 3.18Å; W166-F187 AromaticContact NE1-CE2 3.98Å; W166-I188 HydrophobicContact CD2-CG2 4.4Å; W166-I188 HydrophobicContact CE3-CG2 4.08Å; W166-I188 HydrophobicContact CH2-CB 4.22Å; W166-I188 HydrophobicContact CH2-CG1 3.83Å; W166-I188 HydrophobicContact CH2-CG2 3.95Å; W166-I188 HydrophobicContact CZ2-CB 4.27Å; W166-I188 HydrophobicContact CZ2-CG1 4.1Å; W166-I188 HydrophobicContact CZ2-CG2 4.28Å; W166-I188 HydrophobicContact CZ3-CG2 3.84Å; W166-A189 HydrophobicContact CB-CB 3.78Å; W166-A189 HydrophobicContact CG-CB 3.87Å; W166-T192 HydrophobicContact CE3-CG2 3.88Å; W166-T192 HydrophobicContact CZ3-CG2 4.5Å
167	E	94.3	Very high	96.1	Very high	105 Å²	105	46.3 Å²	46.3	49%	0.491	21%	0.214	S	C	.	.	H	α-helix	trans	-75.6	-18.2	177.3	-68.2	-59.5	140.2	0	0	114	P165 R170 K171	P165-E167 PolarHBondContact O-N 2.73Å; P165-E167 VanDerWaalsContact O-N 3.16Å; E167-R170 IonicContact OE1-CZ 3.11Å; E167-R170 IonicContact OE1-NH1 3.28Å; E167-R170 PolarHBondContact OE1-NH1 2.94Å; E167-R170 IonicContact OE1-NH2 3.11Å; E167-R170 PolarHBondContact OE1-NH2 2.91Å; E167-R170 IonicContact OE2-CZ 3.16Å; E167-R170 IonicContact OE2-NH1 2.63Å; E167-R170 PolarHBondContact OE2-NH1 3.03Å; E167-K171 WeakPolarHBondContact O-CD 3.41Å; E167-K171 WeakPolarHBondContact O-CE 3.46Å; E167-K171 PolarHBondContact O-NZ 3.13Å
168	A	95.3	Very high	96	Very high	3 Å²	3	46.2 Å²	46.2	3%	0.025	21%	0.213	C	C	.	.	H	α-helix	trans	-81.9	-47.7	165.6	0	0	0	0	0	109.5	F144 L148 P165 W166 R170 K171	F144-A168 HydrophobicContact CB-CB 4.2Å; F144-A168 HydrophobicContact CD2-CB 4.43Å; L148-A168 HydrophobicContact CD2-CB 3.83Å; L148-A168 WeakPolarHBondContact CD2-O 3.34Å; P165-A168 HydrophobicContact CB-CB 4.18Å; P165-A168 HydrophobicContact CG-CB 4.35Å; P165-A168 WeakPolarHBondContact O-CB 3.44Å; P165-A168 PolarHBondContact O-N 3.42Å; W166-A168 VanDerWaalsContact C-N 3.34Å; A168-R170 PolarHBondContact O-N 2.98Å; A168-K171 WeakPolarHBondContact O-CB 3.48Å; A168-K171 PolarHBondContact O-N 2.8Å
169	I	95.6	Very high	96	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.5	-40.4	-177.5	-67.5	154.3	0	0	0	112.5	V164 P165 W166 K171 M172 M178 T192 L196	V164-I169 HydrophobicContact CB-CD1 3.79Å; V164-I169 HydrophobicContact CG2-CD1 3.4Å; V164-I169 VanDerWaalsContact CG2-CD1 3.4Å; P165-I169 PolarHBondContact O-N 3.2Å; W166-I169 HydrophobicContact CE3-CD1 4.1Å; W166-I169 HydrophobicContact CZ3-CD1 4.48Å; W166-I169 PolarHBondContact O-N 2.94Å; I169-K171 PolarHBondContact O-N 2.93Å; I169-K171 VanDerWaalsContact O-N 3.08Å; I169-M172 HydrophobicContact CG1-CE 4.49Å; I169-M172 HydrophobicContact CG1-SD 4.27Å; I169-M172 WeakPolarHBondContact O-CB 3.44Å; I169-M172 PolarHBondContact O-N 3.05Å; I169-M178 HydrophobicContact CD1-CE 3.61Å; I169-M178 HydrophobicContact CG1-CE 4.01Å; I169-M178 HydrophobicContact CG2-CE 3.82Å; I169-M178 HydrophobicContact CG2-SD 4.14Å; I169-T192 HydrophobicContact CG2-CG2 4Å; I169-L196 HydrophobicContact CG2-CD1 4.45Å
170	R	94.8	Very high	96	Very high	57 Å²	57	40.6 Å²	40.6	22%	0.215	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-29	175.8	-170.8	-172.9	-70.6	124.3	0.9	112.9	W166 E167 A168 E190 G191 T192	W166-R170 PolarHBondContact O-N 2.82Å; E167-R170 IonicContact OE1-CZ 3.11Å; E167-R170 IonicContact OE1-NH1 3.28Å; E167-R170 PolarHBondContact OE1-NH1 2.94Å; E167-R170 IonicContact OE1-NH2 3.11Å; E167-R170 PolarHBondContact OE1-NH2 2.91Å; E167-R170 IonicContact OE2-CZ 3.16Å; E167-R170 IonicContact OE2-NH1 2.63Å; E167-R170 PolarHBondContact OE2-NH1 3.03Å; A168-R170 PolarHBondContact O-N 2.98Å; R170-E190 PolarHBondContact NH2-O 2.75Å; R170-G191 PolarHBondContact NE-O 3.05Å; R170-T192 WeakPolarHBondContact CA-O 3.43Å
171	K	94.5	Very high	96	Very high	101 Å²	101	38.1 Å²	38.1	44%	0.439	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-8.5	-177.9	-58.8	165.9	-172.6	141.9	0	113.4	L148 E167 A168 I169 V173	L148-K171 HydrophobicContact CB-CB 4.44Å; L148-K171 HydrophobicContact CD1-CD 3.93Å; L148-K171 HydrophobicContact CD2-CB 4.39Å; L148-K171 VanDerWaalsContact O-O 3.11Å; E167-K171 WeakPolarHBondContact O-CD 3.41Å; E167-K171 WeakPolarHBondContact O-CE 3.46Å; E167-K171 PolarHBondContact O-NZ 3.13Å; A168-K171 WeakPolarHBondContact O-CB 3.48Å; A168-K171 PolarHBondContact O-N 2.8Å; I169-K171 PolarHBondContact O-N 2.93Å; I169-K171 VanDerWaalsContact O-N 3.08Å; K171-V173 PolarHBondContact O-N 2.95Å
172	M	95.3	Very high	96	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	20%	0.196	C	C	.	.			trans	-77.6	58	-174.9	-62.8	179.8	173.8	0	0	112.8	F144 L148 L151 L154 I169 N174 L175 L196	F144-M172 HydrophobicContact CB-CE 3.64Å; F144-M172 HydrophobicContact CD2-CE 3.72Å; F144-M172 HydrophobicContact CG-CE 3.88Å; L148-M172 HydrophobicContact CD2-CE 4.31Å; L148-M172 WeakPolarHBondContact O-CA 3.15Å; L151-M172 HydrophobicContact CD2-CE 4.16Å; L151-M172 HydrophobicContact CD2-SD 4Å; L154-M172 HydrophobicContact CD2-SD 4.47Å; I169-M172 HydrophobicContact CG1-CE 4.49Å; I169-M172 HydrophobicContact CG1-SD 4.27Å; I169-M172 WeakPolarHBondContact O-CB 3.44Å; I169-M172 PolarHBondContact O-N 3.05Å; M172-N174 PolarHBondContact O-N 2.89Å; M172-L175 HydrophobicContact CB-CB 4.08Å; M172-L175 HydrophobicContact CB-CD2 4.46Å; M172-L175 WeakPolarHBondContact O-CB 3.3Å; M172-L175 PolarHBondContact O-N 2.84Å; M172-L196 WeakPolarHBondContact O-CD2 3.22Å
173	V	92.6	Very high	96.1	Very high	63 Å²	63	32.9 Å²	32.9	38%	0.382	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-9.8	-174.3	-62.6	0	0	0	0	115.6	K171	K171-V173 PolarHBondContact O-N 2.95Å
174	N	94.5	Very high	96.2	Very high	44 Å²	44	33.7 Å²	33.7	24%	0.235	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-2.6	174.8	-76.2	-37.6	0	0	0	114.5	L149 L151 E152 M172 H176 K198	L149-N174 PolarHBondContact O-ND2 3.41Å; L151-N174 CarbonylContact O-C 3.54Å; L151-N174 VanDerWaalsContact O-C 3.26Å; E152-N174 HydrophobicContact CG-CB 4.41Å; M172-N174 PolarHBondContact O-N 2.89Å; N174-H176 PolarHBondContact O-CE1 3.24Å; N174-H176 PolarHBondContact O-N 2.83Å; N174-H176 PolarHBondContact O-ND1 2.91Å; N174-H176 VanDerWaalsContact O-ND1 3.15Å; N174-K198 PolarHBondContact OD1-NZ 3.14Å
175	L	95.9	Very high	96.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.162	C	C	.	.			trans	-67.4	116.2	-176.6	-162.6	68.6	0	0	0	111.5	L151 L154 M172 Q177 M178 K198 L199	L151-L175 HydrophobicContact CD2-CD1 4.48Å; L151-L175 HydrophobicContact CG-CD1 4.43Å; L151-L175 PolarHBondContact O-N 2.82Å; L154-L175 HydrophobicContact CB-CD1 3.93Å; M172-L175 HydrophobicContact CB-CB 4.08Å; M172-L175 HydrophobicContact CB-CD2 4.46Å; M172-L175 WeakPolarHBondContact O-CB 3.3Å; M172-L175 PolarHBondContact O-N 2.84Å; L175-Q177 WeakPolarHBondContact CD1-O 3.48Å; L175-M178 HydrophobicContact CD2-CB 3.98Å; L175-M178 HydrophobicContact CD2-CG 4.18Å; L175-M178 HydrophobicContact CD2-SD 4.29Å; L175-K198 CarbonylContact O-C 3.53Å; L175-L199 HydrophobicContact CD2-CD1 4.35Å; L175-L199 HydrophobicContact CG-CD1 4.23Å; L175-L199 VanDerWaalsContact O-CA 3.26Å; L175-L199 WeakPolarHBondContact O-CA 3.48Å; L175-L199 PolarHBondContact O-N 2.79Å
176	H	94.8	Very high	96.2	Very high	72 Å²	72	35.2 Å²	35.2	33%	0.333	18%	0.177	S	C	.	.			trans	-96.7	-31.8	176.4	-62.8	105.5	0	0	0	112.1	E152 N174 A200 R201	E152-H176 PolarHBondContact O-N 3.01Å; E152-H176 IonicContact OE2-CE1 2.65Å; E152-H176 PolarHBondContact OE2-CE1 2.84Å; E152-H176 IonicContact OE2-ND1 2.71Å; E152-H176 PolarHBondContact OE2-ND1 2.85Å; N174-H176 PolarHBondContact O-CE1 3.24Å; N174-H176 PolarHBondContact O-N 2.83Å; N174-H176 PolarHBondContact O-ND1 2.91Å; N174-H176 VanDerWaalsContact O-ND1 3.15Å; H176-A200 PolarHBondContact O-N 3.16Å; H176-R201 PolarHBondContact O-N 3.47Å
177	Q	96.8	Very high	96.2	Very high	60 Å²	60	40.1 Å²	40.1	28%	0.28	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	135.3	-178.8	177.7	169.3	-89.9	0	0	111	E152 D153 L154 L175 R201	E152-Q177 PolarHBondContact O-N 2.04Å; E152-Q177 VanDerWaalsContact O-N 3.14Å; D153-Q177 VanDerWaalsContact CG-NE2 3.27Å; D153-Q177 WeakPolarHBondContact OD1-CB 3.42Å; D153-Q177 WeakPolarHBondContact OD1-CG 3.31Å; D153-Q177 PolarHBondContact OD1-NE2 2.8Å; D153-Q177 PolarHBondContact OD2-NE2 3.08Å; D153-Q177 VanDerWaalsContact OD2-NE2 3.13Å; L154-Q177 PolarHBondContact N-O 2.88Å; L154-Q177 VanDerWaalsContact N-O 3.08Å; L175-Q177 WeakPolarHBondContact CD1-O 3.48Å; Q177-R201 HydrophobicContact CB-CB 4.46Å; Q177-R201 HydrophobicContact CG-CB 4.08Å; Q177-R201 HydrophobicContact CG-CG 4.34Å; Q177-R201 VanDerWaalsContact OE1-CD 3.27Å
178	M	97.4	Very high	96.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	119.8	173.6	-165.6	-172.4	-167.8	0	0	109.8	L154 I169 L175 L180 L199 R201 L202 D203	L154-M178 HydrophobicContact CD2-CE 4.15Å; L154-M178 WeakPolarHBondContact O-CA 3.11Å; I169-M178 HydrophobicContact CD1-CE 3.61Å; I169-M178 HydrophobicContact CG1-CE 4.01Å; I169-M178 HydrophobicContact CG2-CE 3.82Å; I169-M178 HydrophobicContact CG2-SD 4.14Å; L175-M178 HydrophobicContact CD2-CB 3.98Å; L175-M178 HydrophobicContact CD2-CG 4.18Å; L175-M178 HydrophobicContact CD2-SD 4.29Å; M178-L180 HydrophobicContact CE-CD1 3.72Å; M178-L180 HydrophobicContact CE-CD2 4.06Å; M178-L180 HydrophobicContact CE-CG 4.04Å; M178-L180 HydrophobicContact CG-CG 4.38Å; M178-L180 HydrophobicContact SD-CD1 4.07Å; M178-L180 HydrophobicContact SD-CG 4.47Å; M178-L199 HydrophobicContact CB-CD1 4.05Å; M178-R201 PolarHBondContact N-O 2.88Å; M178-L202 HydrophobicContact CB-CD1 3.94Å; M178-L202 HydrophobicContact CG-CD1 4.22Å; M178-L202 WeakPolarHBondContact O-CA 3.39Å; M178-L202 HydrophobicContact SD-CD1 3.95Å; M178-D203 PolarHBondContact O-N 3.36Å
179	S	98.4	Very high	96.3	Very high	12 Å²	12	36.7 Å²	36.7	8%	0.084	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.7	178.8	-53	0	0	0	0	109.5	L154 D155 L156 S157	L154-S179 PolarHBondContact O-N 3.4Å; D155-S179 WeakPolarHBondContact OD1-CB 3.45Å; L156-S179 PolarHBondContact N-O 3.38Å; S157-S179 VanDerWaalsContact OG-C 3.28Å; S157-S179 WeakPolarHBondContact OG-CB 3.48Å; S157-S179 PolarHBondContact OG-O 3.11Å
180	L	98.2	Very high	96.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.			trans	-123.4	12.5	-178.9	-68.6	172.1	0	0	0	111.3	L156 V164 W166 M178 N183 I185 D203 L204 N207	L156-L180 HydrophobicContact CB-CD2 4.06Å; L156-L180 HydrophobicContact CD1-CD2 4.02Å; V164-L180 HydrophobicContact CG1-CD2 4.04Å; W166-L180 HydrophobicContact CH2-CD1 4.16Å; W166-L180 HydrophobicContact CZ3-CD1 4.3Å; M178-L180 HydrophobicContact CE-CD1 3.72Å; M178-L180 HydrophobicContact CE-CD2 4.06Å; M178-L180 HydrophobicContact CE-CG 4.04Å; M178-L180 HydrophobicContact CG-CG 4.38Å; M178-L180 HydrophobicContact SD-CD1 4.07Å; M178-L180 HydrophobicContact SD-CG 4.47Å; L180-N183 WeakPolarHBondContact O-CB 3.16Å; L180-N183 PolarHBondContact O-ND2 2.83Å; L180-N183 VanDerWaalsContact O-ND2 3.16Å; L180-I185 HydrophobicContact CB-CD1 4.1Å; L180-I185 HydrophobicContact CD1-CD1 4.04Å; L180-I185 HydrophobicContact CD2-CD1 3.97Å; L180-I185 HydrophobicContact CG-CD1 4.28Å; L180-D203 WeakPolarHBondContact CA-O 3.16Å; L180-D203 WeakPolarHBondContact CB-O 3.49Å; L180-D203 PolarHBondContact N-O 3.5Å; L180-L204 HydrophobicContact CB-CD2 4.26Å; L180-L204 HydrophobicContact CD1-CD2 3.78Å; L180-N207 PolarHBondContact O-ND2 3.35Å
181	D	98	Very high	96	Very high	25 Å²	25	41.6 Å²	41.6	13%	0.134	22%	0.218	C	C	.	.			trans	-67	157	-170.4	71.6	-97.4	0	0	0	113	S157 Y158 N183 D203 T205	S157-D181 CarbonylContact C-O 3.58Å; S157-D181 WeakPolarHBondContact CA-O 3.25Å; S157-D181 WeakPolarHBondContact CB-O 3.37Å; S157-D181 WeakPolarHBondContact CB-OD1 3.27Å; S157-D181 PolarHBondContact OG-OD1 3.24Å; S157-D181 VanDerWaalsContact OG-OD1 3.11Å; Y158-D181 WeakPolarHBondContact CE2-OD2 3.26Å; Y158-D181 PolarHBondContact N-O 3.11Å; D181-N183 PolarHBondContact O-N 3.5Å; D181-N183 PolarHBondContact O-ND2 3.42Å; D181-N183 VanDerWaalsContact O-ND2 3.12Å; D181-D203 HydrophobicContact CB-CB 4.47Å; D181-T205 CarbonylContact C-O 3.56Å; D181-T205 WeakPolarHBondContact CA-O 3.45Å; D181-T205 WeakPolarHBondContact CB-O 3.09Å
182	H	98.4	Very high	96	Very high	73 Å²	73	36.8 Å²	36.8	34%	0.338	20%	0.197	S	C	.	.	S	Bend	trans	52	53.7	-177.7	-60.9	86.2	0	0	0	113.3	Y158 N159 T205 S206	Y158-H182 WeakPolarHBondContact CA-O 3.35Å; Y158-H182 HydrophobicContact CD1-CB 3.8Å; Y158-H182 HydrophobicContact CD2-CB 4.2Å; Y158-H182 HydrophobicContact CE1-CB 3.97Å; Y158-H182 AromaticContact CE1-CG 3.67Å; Y158-H182 AromaticContact CE1-ND1 3.8Å; Y158-H182 HydrophobicContact CE2-CB 4.34Å; Y158-H182 AromaticContact CE2-ND1 3.63Å; Y158-H182 HydrophobicContact CG-CB 3.92Å; Y158-H182 AromaticContact CZ-CE1 3.82Å; Y158-H182 AromaticContact CZ-CG 3.71Å; Y158-H182 AromaticContact CZ-ND1 3.33Å; Y158-H182 VanDerWaalsContact CZ-ND1 3.33Å; Y158-H182 PolarHBondContact OH-CE1 2.82Å; Y158-H182 PolarHBondContact OH-ND1 3.21Å; N159-H182 PolarHBondContact N-O 3.12Å; H182-T205 PolarHBondContact N-O 2.98Å; H182-S206 WeakPolarHBondContact CD2-CB 3.44Å; H182-S206 PolarHBondContact CD2-OG 3.34Å; H182-S206 WeakPolarHBondContact NE2-CB 3.08Å; H182-S206 PolarHBondContact NE2-OG 3Å
183	N	98.7	Very high	95.9	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.027	20%	0.197	C	C	.	.	S	Bend	trans	-124.7	-169.7	175.6	-89.5	-81.7	0	0	0	111.3	L156 N159 L161 L180 D181 I185 N207	L156-N183 PolarHBondContact O-ND2 3.44Å; N159-N183 WeakPolarHBondContact CA-OD1 3.49Å; N159-N183 WeakPolarHBondContact CB-OD1 3.34Å; N159-N183 PolarHBondContact O-OD1 2.79Å; L161-N183 VanDerWaalsContact CB-OD1 3.27Å; L161-N183 WeakPolarHBondContact CB-OD1 3.46Å; L161-N183 WeakPolarHBondContact CG-OD1 3.12Å; L161-N183 PolarHBondContact N-OD1 3.12Å; L180-N183 WeakPolarHBondContact O-CB 3.16Å; L180-N183 PolarHBondContact O-ND2 2.83Å; L180-N183 VanDerWaalsContact O-ND2 3.16Å; D181-N183 PolarHBondContact O-N 3.5Å; D181-N183 PolarHBondContact O-ND2 3.42Å; D181-N183 VanDerWaalsContact O-ND2 3.12Å; N183-I185 HydrophobicContact CB-CD1 4.37Å; N183-I185 HydrophobicContact CB-CG1 4.17Å; N183-N207 WeakPolarHBondContact CA-OD1 3.46Å; N183-N207 WeakPolarHBondContact CB-OD1 3.47Å; N183-N207 PolarHBondContact O-OD1 2.96Å
184	L	98	Very high	95.8	Very high	59 Å²	59	37.4 Å²	37.4	31%	0.309	20%	0.2	S	C	.	.			trans	-114.7	22.1	-179	-62.1	177.2	0	0	0	112.9	N160 L161 R162 A186 N207 R208	N160-L184 HydrophobicContact CB-CD1 4.45Å; L161-L184 CarbonylContact O-C 3.58Å; L161-L184 VanDerWaalsContact O-CA 3.22Å; L161-L184 WeakPolarHBondContact O-CA 3.36Å; L161-L184 WeakPolarHBondContact O-CB 3.34Å; L161-L184 PolarHBondContact O-N 2.9Å; R162-L184 HydrophobicContact CG-CB 4.33Å; L184-A186 PolarHBondContact O-N 2.92Å; L184-N207 PolarHBondContact N-OD1 3.27Å; L184-R208 HydrophobicContact CB-CG 4.45Å; L184-R208 HydrophobicContact CD2-CG 4.29Å
185	I	98.1	Very high	95.6	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.212	C	C	.	.			trans	-69	121.6	-171.2	-58.6	173.9	0	0	0	110.1	L161 R162 V164 W166 L180 N183 F187 N207 R208 L209	L161-I185 WeakPolarHBondContact O-CG1 3.47Å; L161-I185 PolarHBondContact O-N 3.32Å; L161-I185 VanDerWaalsContact O-N 3.12Å; R162-I185 WeakPolarHBondContact O-CA 3.47Å; V164-I185 HydrophobicContact CG1-CD1 4.42Å; W166-I185 HydrophobicContact CH2-CG2 4.2Å; W166-I185 HydrophobicContact CZ2-CG2 3.77Å; L180-I185 HydrophobicContact CB-CD1 4.1Å; L180-I185 HydrophobicContact CD1-CD1 4.04Å; L180-I185 HydrophobicContact CD2-CD1 3.97Å; L180-I185 HydrophobicContact CG-CD1 4.28Å; N183-I185 HydrophobicContact CB-CD1 4.37Å; N183-I185 HydrophobicContact CB-CG1 4.17Å; I185-F187 VanDerWaalsContact CG2-O 3.23Å; I185-F187 WeakPolarHBondContact CG2-O 3.11Å; I185-N207 VanDerWaalsContact CB-OD1 3.31Å; I185-N207 WeakPolarHBondContact CB-OD1 3.23Å; I185-N207 WeakPolarHBondContact CG1-OD1 3.29Å; I185-N207 PolarHBondContact N-OD1 3.22Å; I185-R208 CarbonylContact O-C 3.49Å; I185-R208 WeakPolarHBondContact O-CA 3.41Å; I185-R208 WeakPolarHBondContact O-CB 3.46Å; I185-R208 PolarHBondContact O-N 3.5Å; I185-L209 HydrophobicContact CG2-CD2 3.99Å; I185-L209 PolarHBondContact O-N 3.14Å; I185-L209 VanDerWaalsContact O-N 3.12Å
186	A	94.9	Very high	95.4	Very high	44 Å²	44	39.7 Å²	39.7	36%	0.364	21%	0.213	S	C	.	.			trans	-94.9	-27.1	-172.6	0	0	0	0	0	114.4	L184 R208	L184-A186 PolarHBondContact O-N 2.92Å; A186-R208 HydrophobicContact CB-CB 4.41Å
187	F	95.4	Very high	95.1	Very high	118 Å²	118	42.9 Å²	42.9	52%	0.518	23%	0.228	S	C	.	.			trans	-148.7	164	178.7	73.3	-83.8	0	0	0	110.3	W166 I185	W166-F187 VanDerWaalsContact CZ2-O 3.29Å; W166-F187 WeakPolarHBondContact CZ2-O 3.18Å; W166-F187 AromaticContact NE1-CE2 3.98Å; I185-F187 VanDerWaalsContact CG2-O 3.23Å; I185-F187 WeakPolarHBondContact CG2-O 3.11Å
188	I	96.4	Very high	94.8	Very high	12 Å²	12	44 Å²	44	6%	0.062	23%	0.232	C	C	.	.			trans	-122.4	141.1	169.2	-55	173.7	0	0	0	106.6	W166 F193 L204 L209 P213	W166-I188 HydrophobicContact CD2-CG2 4.4Å; W166-I188 HydrophobicContact CE3-CG2 4.08Å; W166-I188 HydrophobicContact CH2-CB 4.22Å; W166-I188 HydrophobicContact CH2-CG1 3.83Å; W166-I188 HydrophobicContact CH2-CG2 3.95Å; W166-I188 HydrophobicContact CZ2-CB 4.27Å; W166-I188 HydrophobicContact CZ2-CG1 4.1Å; W166-I188 HydrophobicContact CZ2-CG2 4.28Å; W166-I188 HydrophobicContact CZ3-CG2 3.84Å; I188-F193 HydrophobicContact CD1-CE2 4.39Å; I188-F193 HydrophobicContact CD1-CZ 4.26Å; I188-F193 HydrophobicContact CG2-CE2 3.76Å; I188-F193 HydrophobicContact CG2-CZ 3.81Å; I188-L204 HydrophobicContact CD1-CD1 3.72Å; I188-L204 HydrophobicContact CD1-CD2 3.96Å; I188-L209 HydrophobicContact CD1-CD1 4.02Å; I188-L209 HydrophobicContact CD1-CD2 4.25Å; I188-L209 HydrophobicContact CG1-CD2 3.84Å; I188-P213 HydrophobicContact CB-CG 4.22Å; I188-P213 HydrophobicContact CG2-CG 4.32Å
189	A	95	Very high	94.7	Very high	23 Å²	23	44 Å²	44	19%	0.19	23%	0.232	C	C	.	.			trans	-69	147	177.4	0	0	0	0	0	111.6	W166 T192	W166-A189 HydrophobicContact CB-CB 3.78Å; W166-A189 HydrophobicContact CG-CB 3.87Å; A189-T192 PolarHBondContact O-N 2.59Å; A189-T192 PolarHBondContact O-OG1 2.87Å
190	E	92.4	Very high	94.4	Very high	141 Å²	141	44.9 Å²	44.9	66%	0.659	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	141.1	179.2	-71.6	-179.7	-175.7	0	0	111.2	R170 T192 P213	R170-E190 PolarHBondContact NH2-O 2.75Å; E190-T192 PolarHBondContact O-N 2.88Å; E190-P213 HydrophobicContact CG-CB 3.83Å
191	G	92.4	Very high	94.3	Very high	20 Å²	20	49.6 Å²	49.6	21%	0.206	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	20.2	-177.5	0	0	0	0	0	115.3	R170 F193 T194	R170-G191 PolarHBondContact NE-O 3.05Å; G191-F193 VanDerWaalsContact C-N 3.28Å; G191-F193 PolarHBondContact O-N 2.85Å; G191-T194 VanDerWaalsContact C-OG1 3.24Å; G191-T194 WeakPolarHBondContact CA-OG1 3.31Å; G191-T194 PolarHBondContact O-OG1 3.13Å
192	T	94.8	Very high	94.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-61.3	-33.4	173.8	-74.9	0	0	0	0	113.1	W166 I169 R170 A189 E190	W166-T192 HydrophobicContact CE3-CG2 3.88Å; W166-T192 HydrophobicContact CZ3-CG2 4.5Å; I169-T192 HydrophobicContact CG2-CG2 4Å; R170-T192 WeakPolarHBondContact CA-O 3.43Å; A189-T192 PolarHBondContact O-N 2.59Å; A189-T192 PolarHBondContact O-OG1 2.87Å; E190-T192 PolarHBondContact O-N 2.88Å
193	F	93.3	Very high	94.2	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	24%	0.242	C	C	.	.	S	Bend	trans	-100.1	-5.7	-173.6	-45.2	-74.4	0	0	0	113.9	I188 G191 D195 L196 L199 L202 D215 I217 F218	I188-F193 HydrophobicContact CD1-CE2 4.39Å; I188-F193 HydrophobicContact CD1-CZ 4.26Å; I188-F193 HydrophobicContact CG2-CE2 3.76Å; I188-F193 HydrophobicContact CG2-CZ 3.81Å; G191-F193 VanDerWaalsContact C-N 3.28Å; G191-F193 PolarHBondContact O-N 2.85Å; F193-D195 VanDerWaalsContact C-N 3.29Å; F193-D195 PolarHBondContact O-N 2.82Å; F193-D195 VanDerWaalsContact O-N 3.13Å; F193-L196 HydrophobicContact CD1-CD1 4.13Å; F193-L196 WeakPolarHBondContact O-CB 3.47Å; F193-L196 PolarHBondContact O-N 3.06Å; F193-L199 HydrophobicContact CD1-CD2 4.09Å; F193-L202 HydrophobicContact CD1-CD2 4.25Å; F193-L202 HydrophobicContact CE1-CD1 4.19Å; F193-L202 HydrophobicContact CE1-CD2 3.7Å; F193-L202 HydrophobicContact CE2-CD2 4.2Å; F193-L202 HydrophobicContact CZ-CD2 3.68Å; F193-D215 WeakPolarHBondContact CA-OD2 3.31Å; F193-D215 WeakPolarHBondContact CB-OD2 3.37Å; F193-D215 PolarHBondContact N-OD2 3.5Å; F193-I217 HydrophobicContact CB-CG2 3.81Å; F193-F218 HydrophobicContact CD2-CE2 4.24Å; F193-F218 AromaticContact CD2-CZ 3.69Å; F193-F218 HydrophobicContact CD2-CZ 3.69Å; F193-F218 AromaticContact CE2-CZ 3.76Å; F193-F218 HydrophobicContact CE2-CZ 3.76Å
194	T	90	Very high	94.1	Very high	75 Å²	75	46 Å²	46	46%	0.46	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.1	-47.7	-176.3	-37	0	0	0	0	114.3	G191 D215	G191-T194 VanDerWaalsContact C-OG1 3.24Å; G191-T194 WeakPolarHBondContact CA-OG1 3.31Å; G191-T194 PolarHBondContact O-OG1 3.13Å; T194-D215 PolarHBondContact N-OD2 2.91Å; T194-D215 VanDerWaalsContact N-OD2 3.08Å
195	D	90.1	Very high	94.1	Very high	91 Å²	91	44.7 Å²	44.7	49%	0.487	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-0.6	-174	-55.7	-59.5	0	0	0	112.9	F193 E197	F193-D195 VanDerWaalsContact C-N 3.29Å; F193-D195 PolarHBondContact O-N 2.82Å; F193-D195 VanDerWaalsContact O-N 3.13Å; D195-E197 VanDerWaalsContact C-N 3.26Å; D195-E197 PolarHBondContact O-N 2.8Å; D195-E197 VanDerWaalsContact O-N 3.09Å
196	L	91.8	Very high	94.1	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	25%	0.249	C	C	.	.			trans	-89.6	51.9	-173.4	-54	-169.6	0	0	0	111.8	I169 M172 F193 K198 L199 I217	I169-L196 HydrophobicContact CG2-CD1 4.45Å; M172-L196 WeakPolarHBondContact O-CD2 3.22Å; F193-L196 HydrophobicContact CD1-CD1 4.13Å; F193-L196 WeakPolarHBondContact O-CB 3.47Å; F193-L196 PolarHBondContact O-N 3.06Å; L196-K198 PolarHBondContact O-N 2.92Å; L196-L199 HydrophobicContact CB-CB 4.19Å; L196-L199 WeakPolarHBondContact O-CB 3.4Å; L196-L199 PolarHBondContact O-N 3.25Å; L196-I217 WeakPolarHBondContact O-CD1 3.42Å
197	E	87.9	Confident	94.2	Very high	140 Å²	140	44.8 Å²	44.8	65%	0.654	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-31.5	-174.3	-64.8	-168	153.5	0	0	113.5	D195 R220	D195-E197 VanDerWaalsContact C-N 3.26Å; D195-E197 PolarHBondContact O-N 2.8Å; D195-E197 VanDerWaalsContact O-N 3.09Å; E197-R220 PolarHBondContact O-NH1 2.97Å; E197-R220 PolarHBondContact O-NH2 2.74Å
198	K	91.8	Very high	94.3	Very high	83 Å²	83	46 Å²	46	36%	0.361	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-14.7	-179	-67.8	-177.7	-177.7	-179.3	0	115.2	N174 L175 L196 A200	N174-K198 PolarHBondContact OD1-NZ 3.14Å; L175-K198 CarbonylContact O-C 3.53Å; L196-K198 PolarHBondContact O-N 2.92Å; K198-A200 PolarHBondContact O-N 3.25Å
199	L	94	Very high	94.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.231	C	C	.	.			trans	-62.1	121.7	-174.8	-172.3	68.7	0	0	0	110.1	L175 M178 F193 L196 R201 L202 I217 R220 L235	L175-L199 HydrophobicContact CD2-CD1 4.35Å; L175-L199 HydrophobicContact CG-CD1 4.23Å; L175-L199 VanDerWaalsContact O-CA 3.26Å; L175-L199 WeakPolarHBondContact O-CA 3.48Å; L175-L199 PolarHBondContact O-N 2.79Å; M178-L199 HydrophobicContact CB-CD1 4.05Å; F193-L199 HydrophobicContact CD1-CD2 4.09Å; L196-L199 HydrophobicContact CB-CB 4.19Å; L196-L199 WeakPolarHBondContact O-CB 3.4Å; L196-L199 PolarHBondContact O-N 3.25Å; L199-R201 WeakPolarHBondContact CD1-O 3.47Å; L199-L202 HydrophobicContact CD2-CB 4.26Å; L199-I217 HydrophobicContact CB-CD1 3.8Å; L199-I217 HydrophobicContact CD2-CD1 4.21Å; L199-I217 HydrophobicContact CG-CD1 4.46Å; L199-R220 PolarHBondContact O-NH2 3.44Å; L199-L235 HydrophobicContact CG-CD1 4.38Å
200	A	92.9	Very high	94.5	Very high	31 Å²	31	49.2 Å²	49.2	26%	0.256	25%	0.245	S	C	.	.			trans	-118	-21.7	-174	0	0	0	0	0	112.7	H176 K198 P233 S236	H176-A200 PolarHBondContact O-N 3.16Å; K198-A200 PolarHBondContact O-N 3.25Å; A200-P233 HydrophobicContact CB-CB 4.09Å; A200-P233 HydrophobicContact CB-CG 3.74Å; A200-S236 WeakPolarHBondContact O-CB 3.28Å; A200-S236 PolarHBondContact O-N 3.05Å
201	R	95.6	Very high	94.6	Very high	98 Å²	98	46.1 Å²	46.1	37%	0.37	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131	169.9	179.3	-179.4	-51.8	-67.2	-13.1	110.5	H176 Q177 M178 L199 S236	H176-R201 PolarHBondContact O-N 3.47Å; Q177-R201 HydrophobicContact CB-CB 4.46Å; Q177-R201 HydrophobicContact CG-CB 4.08Å; Q177-R201 HydrophobicContact CG-CG 4.34Å; Q177-R201 VanDerWaalsContact OE1-CD 3.27Å; M178-R201 PolarHBondContact N-O 2.88Å; L199-R201 WeakPolarHBondContact CD1-O 3.47Å; R201-S236 WeakPolarHBondContact CA-O 3.39Å; R201-S236 PolarHBondContact NH1-OG 2.95Å
202	L	96.9	Very high	94.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	111.8	169	177.3	61.5	0	0	0	108.8	M178 F193 L199 L204 F218 L235 S236 L237 S238	M178-L202 HydrophobicContact CB-CD1 3.94Å; M178-L202 HydrophobicContact CG-CD1 4.22Å; M178-L202 WeakPolarHBondContact O-CA 3.39Å; M178-L202 HydrophobicContact SD-CD1 3.95Å; F193-L202 HydrophobicContact CD1-CD2 4.25Å; F193-L202 HydrophobicContact CE1-CD1 4.19Å; F193-L202 HydrophobicContact CE1-CD2 3.7Å; F193-L202 HydrophobicContact CE2-CD2 4.2Å; F193-L202 HydrophobicContact CZ-CD2 3.68Å; L199-L202 HydrophobicContact CD2-CB 4.26Å; L202-L204 HydrophobicContact CD1-CD2 4.19Å; L202-L204 HydrophobicContact CD1-CG 4.31Å; L202-L204 HydrophobicContact CD2-CD1 4.1Å; L202-L204 HydrophobicContact CD2-CG 4.43Å; L202-L204 HydrophobicContact CG-CD1 4.27Å; L202-L204 HydrophobicContact CG-CD2 4.47Å; L202-L204 HydrophobicContact CG-CG 4.08Å; L202-F218 HydrophobicContact CD2-CE1 4.01Å; L202-F218 HydrophobicContact CD2-CZ 4.42Å; L202-L235 HydrophobicContact CB-CD1 4.38Å; L202-S236 PolarHBondContact N-O 2.82Å; L202-L237 HydrophobicContact CB-CD1 4.32Å; L202-L237 HydrophobicContact CD2-CD1 4.05Å; L202-L237 HydrophobicContact CG-CD1 4.23Å; L202-L237 WeakPolarHBondContact O-CA 3.36Å; L202-S238 PolarHBondContact O-N 3.01Å
203	D	97.6	Very high	94.7	Very high	26 Å²	26	45.6 Å²	45.6	14%	0.139	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.1	175.5	-148	-53.4	0	0	0	111.5	M178 L180 D181 T205 S238	M178-D203 PolarHBondContact O-N 3.36Å; L180-D203 WeakPolarHBondContact CA-O 3.16Å; L180-D203 WeakPolarHBondContact CB-O 3.49Å; L180-D203 PolarHBondContact N-O 3.5Å; D181-D203 HydrophobicContact CB-CB 4.47Å; D203-T205 WeakPolarHBondContact OD1-CB 3.47Å; D203-T205 PolarHBondContact OD1-N 2.82Å; D203-T205 PolarHBondContact OD1-OG1 2.86Å; D203-S238 VanDerWaalsContact CG-CB 3.46Å; D203-S238 WeakPolarHBondContact OD1-CB 3.26Å; D203-S238 WeakPolarHBondContact OD2-CB 3.47Å; D203-S238 PolarHBondContact OD2-OG 3.21Å
204	L	97.3	Very high	94.7	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.249	C	C	.	.			trans	-118.2	11.7	179.5	-61.4	168.6	0	0	0	111.5	L180 I188 L202 N207 L209 L212 L237 S238 F239 N242	L180-L204 HydrophobicContact CB-CD2 4.26Å; L180-L204 HydrophobicContact CD1-CD2 3.78Å; I188-L204 HydrophobicContact CD1-CD1 3.72Å; I188-L204 HydrophobicContact CD1-CD2 3.96Å; L202-L204 HydrophobicContact CD1-CD2 4.19Å; L202-L204 HydrophobicContact CD1-CG 4.31Å; L202-L204 HydrophobicContact CD2-CD1 4.1Å; L202-L204 HydrophobicContact CD2-CG 4.43Å; L202-L204 HydrophobicContact CG-CD1 4.27Å; L202-L204 HydrophobicContact CG-CD2 4.47Å; L202-L204 HydrophobicContact CG-CG 4.08Å; L204-N207 PolarHBondContact O-ND2 3.47Å; L204-N207 VanDerWaalsContact O-ND2 3.15Å; L204-L209 HydrophobicContact CB-CD1 3.96Å; L204-L209 HydrophobicContact CD1-CD1 4.04Å; L204-L209 HydrophobicContact CD2-CD1 4.38Å; L204-L209 HydrophobicContact CG-CD1 4.36Å; L204-L212 HydrophobicContact CD1-CD2 3.98Å; L204-L212 HydrophobicContact CD1-CG 4.46Å; L204-L237 HydrophobicContact CD1-CD1 4.31Å; L204-S238 WeakPolarHBondContact CB-O 3.35Å; L204-S238 PolarHBondContact N-O 2.99Å; L204-F239 HydrophobicContact CB-CB 4.4Å; L204-N242 PolarHBondContact O-ND2 3.18Å
205	T	97.3	Very high	94.8	Very high	33 Å²	33	46.7 Å²	46.7	20%	0.202	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	147.6	-170.3	-54.1	0	0	0	0	112	D181 H182 D203 N207 S238 G240	D181-T205 CarbonylContact C-O 3.56Å; D181-T205 WeakPolarHBondContact CA-O 3.45Å; D181-T205 WeakPolarHBondContact CB-O 3.09Å; H182-T205 PolarHBondContact N-O 2.98Å; D203-T205 WeakPolarHBondContact OD1-CB 3.47Å; D203-T205 PolarHBondContact OD1-N 2.82Å; D203-T205 PolarHBondContact OD1-OG1 2.86Å; T205-N207 PolarHBondContact O-N 3.02Å; T205-N207 PolarHBondContact O-ND2 3.09Å; T205-S238 VanDerWaalsContact OG1-CB 3.3Å; T205-S238 WeakPolarHBondContact OG1-CB 3.13Å; T205-G240 CarbonylContact C-O 3.31Å; T205-G240 VanDerWaalsContact CA-O 3.3Å; T205-G240 WeakPolarHBondContact CA-O 3.48Å; T205-G240 WeakPolarHBondContact CG2-O 3.24Å
206	S	97.4	Very high	94.7	Very high	42 Å²	42	47.3 Å²	47.3	29%	0.294	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	41.7	176.1	-60.6	0	0	0	0	114.8	H182 G240	H182-S206 WeakPolarHBondContact CD2-CB 3.44Å; H182-S206 PolarHBondContact CD2-OG 3.34Å; H182-S206 WeakPolarHBondContact NE2-CB 3.08Å; H182-S206 PolarHBondContact NE2-OG 3Å; S206-G240 PolarHBondContact N-O 3.16Å
207	N	98.6	Very high	94.7	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	24%	0.241	C	C	.	.	S	Bend	trans	-105.2	-162.5	175.9	-91.1	-80.8	0	0	0	112.6	L180 N183 L184 I185 L204 T205 L209 N242 P243	L180-N207 PolarHBondContact O-ND2 3.35Å; N183-N207 WeakPolarHBondContact CA-OD1 3.46Å; N183-N207 WeakPolarHBondContact CB-OD1 3.47Å; N183-N207 PolarHBondContact O-OD1 2.96Å; L184-N207 PolarHBondContact N-OD1 3.27Å; I185-N207 VanDerWaalsContact CB-OD1 3.31Å; I185-N207 WeakPolarHBondContact CB-OD1 3.23Å; I185-N207 WeakPolarHBondContact CG1-OD1 3.29Å; I185-N207 PolarHBondContact N-OD1 3.22Å; L204-N207 PolarHBondContact O-ND2 3.47Å; L204-N207 VanDerWaalsContact O-ND2 3.15Å; T205-N207 PolarHBondContact O-N 3.02Å; T205-N207 PolarHBondContact O-ND2 3.09Å; N207-L209 HydrophobicContact CB-CG 4.23Å; N207-N242 VanDerWaalsContact CA-OD1 3.23Å; N207-N242 WeakPolarHBondContact CA-OD1 3.49Å; N207-N242 WeakPolarHBondContact CB-OD1 3.25Å; N207-N242 PolarHBondContact N-OD1 2.69Å; N207-N242 PolarHBondContact O-OD1 2.87Å; N207-P243 WeakPolarHBondContact O-CD 3.43Å
208	R	97.9	Very high	94.8	Very high	143 Å²	143	41 Å²	41	54%	0.54	21%	0.21	S	C	.	.			trans	-112.3	18.4	177.5	-59.9	-62	-178	-178.7	-2.2	113.1	L184 I185 A186 Q210 N242	L184-R208 HydrophobicContact CB-CG 4.45Å; L184-R208 HydrophobicContact CD2-CG 4.29Å; I185-R208 CarbonylContact O-C 3.49Å; I185-R208 WeakPolarHBondContact O-CA 3.41Å; I185-R208 WeakPolarHBondContact O-CB 3.46Å; I185-R208 PolarHBondContact O-N 3.5Å; A186-R208 HydrophobicContact CB-CB 4.41Å; R208-Q210 PolarHBondContact O-N 2.96Å; R208-N242 PolarHBondContact N-OD1 3.27Å
209	L	97.6	Very high	94.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.211	C	C	.	.			trans	-64.5	125.3	-177.2	-57.9	175.6	0	0	0	110.9	I185 I188 L204 N207 L212 N242 P243	I185-L209 HydrophobicContact CG2-CD2 3.99Å; I185-L209 PolarHBondContact O-N 3.14Å; I185-L209 VanDerWaalsContact O-N 3.12Å; I188-L209 HydrophobicContact CD1-CD1 4.02Å; I188-L209 HydrophobicContact CD1-CD2 4.25Å; I188-L209 HydrophobicContact CG1-CD2 3.84Å; L204-L209 HydrophobicContact CB-CD1 3.96Å; L204-L209 HydrophobicContact CD1-CD1 4.04Å; L204-L209 HydrophobicContact CD2-CD1 4.38Å; L204-L209 HydrophobicContact CG-CD1 4.36Å; N207-L209 HydrophobicContact CB-CG 4.23Å; L209-L212 HydrophobicContact CD1-CD1 4.36Å; L209-N242 HydrophobicContact CB-CB 4.28Å; L209-N242 VanDerWaalsContact CB-OD1 3.29Å; L209-N242 WeakPolarHBondContact CB-OD1 3.33Å; L209-N242 WeakPolarHBondContact CG-OD1 3.45Å; L209-N242 PolarHBondContact N-OD1 2.96Å; L209-P243 CarbonylContact O-C 3.4Å; L209-P243 WeakPolarHBondContact O-CD 3.41Å
210	Q	96.1	Very high	94.3	Very high	103 Å²	103	41.3 Å²	41.3	48%	0.481	22%	0.219	S	C	.	.	S	Bend	trans	-87.2	-33.3	170	-72.2	176.9	80	0	0	111.5	R208 H245	R208-Q210 PolarHBondContact O-N 2.96Å; Q210-H245 HydrophobicContact CB-CB 4.04Å; Q210-H245 WeakPolarHBondContact O-CB 3.48Å; Q210-H245 PolarHBondContact O-N 3.16Å
211	K	95.4	Very high	94.1	Very high	76 Å²	76	40.2 Å²	40.2	33%	0.33	21%	0.209	S	C	.	.			trans	-145.9	160.1	175	66.2	-173.9	179.7	-172.9	0	110.5	E249 V250	K211-E249 HydrophobicContact CD-CB 4.15Å; K211-E249 WeakPolarHBondContact CD-OE2 3.31Å; K211-E249 IonicContact NZ-OE1 2.67Å; K211-E249 PolarHBondContact NZ-OE1 3.3Å; K211-E249 IonicContact NZ-OE2 2.68Å; K211-E249 PolarHBondContact NZ-OE2 3.05Å; K211-V250 HydrophobicContact CB-CG1 3.7Å
212	L	95.4	Very high	93.5	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-103.1	138.7	164.1	-75.9	73.7	0	0	0	107.8	L204 L209 F239 L244 W252 L253	L204-L212 HydrophobicContact CD1-CD2 3.98Å; L204-L212 HydrophobicContact CD1-CG 4.46Å; L209-L212 HydrophobicContact CD1-CD1 4.36Å; L212-F239 HydrophobicContact CD1-CB 4.39Å; L212-F239 HydrophobicContact CD1-CD2 4.29Å; L212-F239 HydrophobicContact CD1-CG 4.44Å; L212-F239 HydrophobicContact CD2-CB 4.39Å; L212-F239 HydrophobicContact CD2-CG 4.47Å; L212-L244 HydrophobicContact CD1-CD2 4.42Å; L212-W252 HydrophobicContact CB-CH2 4.48Å; L212-W252 HydrophobicContact CB-CZ2 3.99Å; L212-W252 WeakPolarHBondContact O-CZ2 3.45Å; L212-L253 HydrophobicContact CD1-CD2 4.28Å
213	P	94.6	Very high	92.2	Very high	8 Å²	8	42.2 Å²	42.2	5%	0.052	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-67.2	145.6	172.5	30.2	-34.8	0	0	0	110.2	I188 E190 D215 F218 W252	I188-P213 HydrophobicContact CB-CG 4.22Å; I188-P213 HydrophobicContact CG2-CG 4.32Å; E190-P213 HydrophobicContact CG-CB 3.83Å; P213-D215 PolarHBondContact O-N 2.89Å; P213-F218 WeakPolarHBondContact O-CE2 3.05Å; P213-W252 VanDerWaalsContact O-CZ2 3.3Å; P213-W252 WeakPolarHBondContact O-CZ2 3.46Å
214	P	93	Very high	90.6	Very high	86 Å²	86	44.1 Å²	44.1	56%	0.558	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-68.6	125.6	173.1	28.4	-33	0	0	0	110.2	W252	P214-W252 HydrophobicContact CB-CD2 4.05Å; P214-W252 HydrophobicContact CB-CG 4.12Å
215	D	92.4	Very high	88.7	Confident	13 Å²	13	52.2 Å²	52.2	7%	0.07	29%	0.285	C	S	.	.			trans	-139.2	137.4	179.7	-168.6	-65.3	0	0	0	109.5	F193 T194 P213 I217 F218	F193-D215 WeakPolarHBondContact CA-OD2 3.31Å; F193-D215 WeakPolarHBondContact CB-OD2 3.37Å; F193-D215 PolarHBondContact N-OD2 3.5Å; T194-D215 PolarHBondContact N-OD2 2.91Å; T194-D215 VanDerWaalsContact N-OD2 3.08Å; P213-D215 PolarHBondContact O-N 2.89Å; D215-I217 HydrophobicContact CB-CG2 4.42Å; D215-I217 PolarHBondContact O-N 3.32Å; D215-I217 VanDerWaalsContact O-N 3.1Å; D215-I217 WeakPolarHBondContact OD1-CB 3.38Å; D215-I217 WeakPolarHBondContact OD1-CG2 3.33Å; D215-I217 PolarHBondContact OD1-N 3.29Å; D215-F218 HydrophobicContact CB-CD2 3.64Å; D215-F218 HydrophobicContact CB-CE2 3.53Å; D215-F218 HydrophobicContact CB-CZ 4.44Å; D215-F218 PolarHBondContact O-N 3.28Å
216	P	88.1	Confident	86.7	Confident	104 Å²	104	56.6 Å²	56.6	68%	0.675	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-52.6	-29.6	178.2	-28.1	35.9	0	0	0	114.5	F218 A219	P216-F218 PolarHBondContact O-N 3.5Å; P216-A219 WeakPolarHBondContact O-CB 3.26Å; P216-A219 PolarHBondContact O-N 3.44Å
217	I	90.4	Very high	84.8	Confident	8 Å²	8	61.5 Å²	61.5	4%	0.041	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-63	-30.9	-177.4	-151.1	179.7	0	0	0	112.5	F193 L196 L199 D215 A219 R220 L235	F193-I217 HydrophobicContact CB-CG2 3.81Å; L196-I217 WeakPolarHBondContact O-CD1 3.42Å; L199-I217 HydrophobicContact CB-CD1 3.8Å; L199-I217 HydrophobicContact CD2-CD1 4.21Å; L199-I217 HydrophobicContact CG-CD1 4.46Å; D215-I217 HydrophobicContact CB-CG2 4.42Å; D215-I217 PolarHBondContact O-N 3.32Å; D215-I217 VanDerWaalsContact O-N 3.1Å; D215-I217 WeakPolarHBondContact OD1-CB 3.38Å; D215-I217 WeakPolarHBondContact OD1-CG2 3.33Å; D215-I217 PolarHBondContact OD1-N 3.29Å; I217-A219 PolarHBondContact O-N 3.06Å; I217-R220 WeakPolarHBondContact O-CB 3.45Å; I217-R220 PolarHBondContact O-N 3.47Å; I217-L235 HydrophobicContact CG1-CD2 4.18Å; I217-L235 HydrophobicContact CG2-CD2 4Å
218	F	91.4	Very high	82.8	Confident	1 Å²	1	64.9 Å²	64.9	0%	0.004	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-68.2	-19.7	-177.5	-60.5	-50.2	0	0	0	113.4	F193 L202 P213 D215 P216 R220 S221 L235 L237 W252 L256	F193-F218 HydrophobicContact CD2-CE2 4.24Å; F193-F218 AromaticContact CD2-CZ 3.69Å; F193-F218 HydrophobicContact CD2-CZ 3.69Å; F193-F218 AromaticContact CE2-CZ 3.76Å; F193-F218 HydrophobicContact CE2-CZ 3.76Å; L202-F218 HydrophobicContact CD2-CE1 4.01Å; L202-F218 HydrophobicContact CD2-CZ 4.42Å; P213-F218 WeakPolarHBondContact O-CE2 3.05Å; D215-F218 HydrophobicContact CB-CD2 3.64Å; D215-F218 HydrophobicContact CB-CE2 3.53Å; D215-F218 HydrophobicContact CB-CZ 4.44Å; D215-F218 PolarHBondContact O-N 3.28Å; P216-F218 PolarHBondContact O-N 3.5Å; F218-R220 PolarHBondContact O-N 2.9Å; F218-S221 WeakPolarHBondContact O-CB 3.34Å; F218-S221 PolarHBondContact O-N 3.5Å; F218-S221 PolarHBondContact O-OG 3.27Å; F218-L235 HydrophobicContact CD1-CD2 3.89Å; F218-L235 HydrophobicContact CE1-CD2 4.4Å; F218-L237 HydrophobicContact CD1-CD1 4.27Å; F218-L237 HydrophobicContact CD1-CD2 3.82Å; F218-L237 HydrophobicContact CE1-CD1 3.9Å; F218-L237 HydrophobicContact CE1-CD2 4.2Å; F218-W252 HydrophobicContact CB-CH2 4.05Å; F218-W252 HydrophobicContact CB-CZ3 3.73Å; F218-W252 AromaticContact CD2-CH2 3.35Å; F218-W252 HydrophobicContact CD2-CH2 3.35Å; F218-W252 HydrophobicContact CD2-CZ2 4.27Å; F218-W252 AromaticContact CD2-CZ3 3.85Å; F218-W252 HydrophobicContact CD2-CZ3 3.85Å; F218-W252 HydrophobicContact CE2-CH2 4.02Å; F218-W252 AromaticContact CG-CH2 3.9Å; F218-W252 HydrophobicContact CG-CH2 3.9Å; F218-W252 HydrophobicContact CG-CZ3 4.12Å; F218-L256 HydrophobicContact CB-CD1 4.42Å
219	A	87.3	Confident	81.3	Confident	47 Å²	47	61.6 Å²	61.6	39%	0.388	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-61.4	-28.4	170.5	0	0	0	0	0	112.5	P216 I217 S221	P216-A219 WeakPolarHBondContact O-CB 3.26Å; P216-A219 PolarHBondContact O-N 3.44Å; I217-A219 PolarHBondContact O-N 3.06Å; A219-S221 PolarHBondContact O-N 3.17Å
220	R	88.2	Confident	79.6	Confident	43 Å²	43	67.9 Å²	67.9	16%	0.162	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-74.7	-2.7	175.2	-64.9	160.8	49.3	-159	-13.7	113.7	E197 L199 I217 F218 P233 L235	E197-R220 PolarHBondContact O-NH1 2.97Å; E197-R220 PolarHBondContact O-NH2 2.74Å; L199-R220 PolarHBondContact O-NH2 3.44Å; I217-R220 WeakPolarHBondContact O-CB 3.45Å; I217-R220 PolarHBondContact O-N 3.47Å; F218-R220 PolarHBondContact O-N 2.9Å; R220-P233 VanDerWaalsContact CZ-O 3.24Å; R220-P233 PolarHBondContact NE-O 2.62Å; R220-P233 PolarHBondContact NH2-O 3.26Å; R220-L235 HydrophobicContact CB-CB 4.06Å; R220-L235 PolarHBondContact O-N 2.99Å
221	S	87.6	Confident	78	Confident	8 Å²	8	72.5 Å²	72.5	6%	0.056	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-96.9	6	178.2	77.3	0	0	0	0	114.4	F218 A219 L235 R258	F218-S221 WeakPolarHBondContact O-CB 3.34Å; F218-S221 PolarHBondContact O-N 3.5Å; F218-S221 PolarHBondContact O-OG 3.27Å; A219-S221 PolarHBondContact O-N 3.17Å; S221-L235 VanDerWaalsContact CA-O 3.31Å; S221-L235 WeakPolarHBondContact CA-O 3.33Å; S221-L235 WeakPolarHBondContact CB-O 3.43Å; S221-R258 WeakPolarHBondContact O-CG 3.25Å; S221-R258 PolarHBondContact O-NH1 2.86Å
222	Q	84.1	Confident	76.9	Confident	79 Å²	79	70.1 Å²	70.1	37%	0.369	40%	0.401	S	S	.	.	S	Bend	trans	-78.2	148.2	173.8	-64.9	-176.1	-2.3	0	0	111.8	S224 L256 D257	Q222-S224 PolarHBondContact O-N 3.35Å; Q222-L256 HydrophobicContact CG-CB 4.09Å; Q222-L256 HydrophobicContact CG-CD2 4.1Å; Q222-L256 VanDerWaalsContact NE2-CD2 3.31Å; Q222-D257 CarbonylContact C-O 3.56Å; Q222-D257 VanDerWaalsContact CA-O 3.23Å; Q222-D257 WeakPolarHBondContact CA-O 3.39Å
223	S	69.1	Low	76.1	Confident	60 Å²	60	72 Å²	72	42%	0.42	41%	0.413	S	S	.	.	S	Bend	trans	-69.9	-10.3	179.9	-57.1	0	0	0	0	114.4	M225 D257	S223-M225 PolarHBondContact O-N 3.31Å; S223-D257 PolarHBondContact N-O 3.08Å
224	S	64.4	Low	75.8	Confident	66 Å²	66	76 Å²	76	46%	0.462	44%	0.439	S	S	.	.			trans	-83.2	107.5	-178.2	-168.1	0	0	0	0	112.3	Q222 V226	Q222-S224 PolarHBondContact O-N 3.35Å; S224-V226 PolarHBondContact O-N 3.16Å
225	M	55.9	Low	75.7	Confident	172 Å²	172	72.2 Å²	72.2	85%	0.847	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	16.1	-168.2	-57.9	177.9	177.5	0	0	116.7	S223 M227	S223-M225 PolarHBondContact O-N 3.31Å; M225-M227 PolarHBondContact O-N 3.11Å
226	V	55.9	Low	75.7	Confident	125 Å²	125	73.9 Å²	73.9	76%	0.758	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-13.8	-167	-172.9	0	0	0	0	113.4	S224	S224-V226 PolarHBondContact O-N 3.16Å
227	M	56.8	Low	76	Confident	144 Å²	144	69.1 Å²	69.1	71%	0.709	40%	0.395	S	S	*	.	S	Bend	trans	-117.4	1.1	-171.3	-61.7	-164.8	72.1	0	0	116.3	M225 T229	M225-M227 PolarHBondContact O-N 3.11Å; M227-T229 PolarHBondContact O-N 2.95Å
228	S	57.7	Low	76.2	Confident	76 Å²	76	69.8 Å²	69.8	53%	0.531	40%	0.401	S	S	.	.			trans	-72	127	179.1	59.1	0	0	0	0	111.9
229	T	64.9	Low	76.4	Confident	74 Å²	74	69.7 Å²	69.7	45%	0.454	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-126.2	162.9	171.2	75.7	0	0	0	0	110.4	M227 Y231 A232	M227-T229 PolarHBondContact O-N 2.95Å; T229-Y231 PolarHBondContact O-N 3.19Å; T229-Y231 PolarHBondContact OG1-N 3.2Å; T229-A232 PolarHBondContact N-O 3.44Å; T229-A232 CarbonylContact O-C 3.56Å; T229-A232 VanDerWaalsContact O-C 3.31Å; T229-A232 PolarHBondContact O-N 3.13Å; T229-A232 VanDerWaalsContact O-O 3.06Å; T229-A232 PolarHBondContact OG1-N 3.2Å
230	P	62.3	Low	76.8	Confident	131 Å²	131	67.9 Å²	67.9	85%	0.851	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-15.4	175.6	-24.8	35.6	0	0	0	114.9
231	Y	64	Low	77.1	Confident	200 Å²	200	68.7 Å²	68.7	78%	0.784	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-13.8	179.1	-59.8	-81.3	0	0	0	113.1	T229	T229-Y231 PolarHBondContact O-N 3.19Å; T229-Y231 PolarHBondContact OG1-N 3.2Å
232	A	70.8	Confident	77.6	Confident	26 Å²	26	68.6 Å²	68.6	22%	0.215	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-137.5	92.3	179.9	0	0	0	0	0	109.4	T229	T229-A232 PolarHBondContact N-O 3.44Å; T229-A232 CarbonylContact O-C 3.56Å; T229-A232 VanDerWaalsContact O-C 3.31Å; T229-A232 PolarHBondContact O-N 3.13Å; T229-A232 VanDerWaalsContact O-O 3.06Å; T229-A232 PolarHBondContact OG1-N 3.2Å
233	P	79.6	Confident	78.3	Confident	41 Å²	41	66.8 Å²	66.8	27%	0.266	40%	0.402	S	S	.	.			trans	-67.3	160.7	-178.6	25.6	-32.5	0	0	0	112.3	A200 R220	A200-P233 HydrophobicContact CB-CB 4.09Å; A200-P233 HydrophobicContact CB-CG 3.74Å; R220-P233 VanDerWaalsContact CZ-O 3.24Å; R220-P233 PolarHBondContact NE-O 2.62Å; R220-P233 PolarHBondContact NH2-O 3.26Å
234	P	86.9	Confident	79.6	Confident	92 Å²	92	64 Å²	64	60%	0.597	38%	0.382	S	S	*	.			trans	-59.7	143.4	166.6	28.3	-35	0	0	0	110.2
235	L	90.9	Very high	81.2	Confident	7 Å²	7	62.4 Å²	62.4	4%	0.037	37%	0.367	C	S	.	.			trans	-97.6	110.3	-178.7	177.7	63.9	0	0	0	111	L199 L202 I217 F218 R220 S221 L237	L199-L235 HydrophobicContact CG-CD1 4.38Å; L202-L235 HydrophobicContact CB-CD1 4.38Å; I217-L235 HydrophobicContact CG1-CD2 4.18Å; I217-L235 HydrophobicContact CG2-CD2 4Å; F218-L235 HydrophobicContact CD1-CD2 3.89Å; F218-L235 HydrophobicContact CE1-CD2 4.4Å; R220-L235 HydrophobicContact CB-CB 4.06Å; R220-L235 PolarHBondContact O-N 2.99Å; S221-L235 VanDerWaalsContact CA-O 3.31Å; S221-L235 WeakPolarHBondContact CA-O 3.33Å; S221-L235 WeakPolarHBondContact CB-O 3.43Å; L235-L237 VanDerWaalsContact C-N 3.34Å; L235-L237 HydrophobicContact CG-CB 4.38Å; L235-L237 PolarHBondContact O-N 3.27Å
236	S	92.9	Very high	83.2	Confident	48 Å²	48	54.2 Å²	54.2	34%	0.336	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	85.5	166.4	-175.6	0	0	0	0	109.7	A200 R201 L202	A200-S236 WeakPolarHBondContact O-CB 3.28Å; A200-S236 PolarHBondContact O-N 3.05Å; R201-S236 WeakPolarHBondContact CA-O 3.39Å; R201-S236 PolarHBondContact NH1-OG 2.95Å; L202-S236 PolarHBondContact N-O 2.82Å
237	L	94.1	Very high	85.1	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	131.8	170.8	178.3	67.9	0	0	0	110.8	L202 L204 F218 L235 F239 R258	L202-L237 HydrophobicContact CB-CD1 4.32Å; L202-L237 HydrophobicContact CD2-CD1 4.05Å; L202-L237 HydrophobicContact CG-CD1 4.23Å; L202-L237 WeakPolarHBondContact O-CA 3.36Å; L204-L237 HydrophobicContact CD1-CD1 4.31Å; F218-L237 HydrophobicContact CD1-CD1 4.27Å; F218-L237 HydrophobicContact CD1-CD2 3.82Å; F218-L237 HydrophobicContact CE1-CD1 3.9Å; F218-L237 HydrophobicContact CE1-CD2 4.2Å; L235-L237 VanDerWaalsContact C-N 3.34Å; L235-L237 HydrophobicContact CG-CB 4.38Å; L235-L237 PolarHBondContact O-N 3.27Å; L237-F239 HydrophobicContact CD2-CD1 3.99Å; L237-F239 HydrophobicContact CD2-CE1 4.29Å; L237-F239 HydrophobicContact CG-CD1 4.1Å; L237-R258 PolarHBondContact O-NH1 2.79Å; L237-R258 PolarHBondContact O-NH2 2.88Å
238	S	95.4	Very high	87	Confident	22 Å²	22	43.2 Å²	43.2	15%	0.154	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.8	167.9	-33	0	0	0	0	109.7	L202 D203 L204 T205	L202-S238 PolarHBondContact O-N 3.01Å; D203-S238 VanDerWaalsContact CG-CB 3.46Å; D203-S238 WeakPolarHBondContact OD1-CB 3.26Å; D203-S238 WeakPolarHBondContact OD2-CB 3.47Å; D203-S238 PolarHBondContact OD2-OG 3.21Å; L204-S238 WeakPolarHBondContact CB-O 3.35Å; L204-S238 PolarHBondContact N-O 2.99Å; T205-S238 VanDerWaalsContact OG1-CB 3.3Å; T205-S238 WeakPolarHBondContact OG1-CB 3.13Å
239	F	95.8	Very high	88.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	26%	0.255	C	S	.	.			trans	-143.3	17.1	176.7	66.5	-84.3	0	0	0	114.7	L204 L212 L237 N242 L244 L253 E263 W277	L204-F239 HydrophobicContact CB-CB 4.4Å; L212-F239 HydrophobicContact CD1-CB 4.39Å; L212-F239 HydrophobicContact CD1-CD2 4.29Å; L212-F239 HydrophobicContact CD1-CG 4.44Å; L212-F239 HydrophobicContact CD2-CB 4.39Å; L212-F239 HydrophobicContact CD2-CG 4.47Å; L237-F239 HydrophobicContact CD2-CD1 3.99Å; L237-F239 HydrophobicContact CD2-CE1 4.29Å; L237-F239 HydrophobicContact CG-CD1 4.1Å; F239-N242 PolarHBondContact O-ND2 2.92Å; F239-L244 HydrophobicContact CD2-CD1 4.05Å; F239-L244 HydrophobicContact CD2-CD2 4.41Å; F239-L244 HydrophobicContact CE2-CD1 3.84Å; F239-L253 HydrophobicContact CD2-CD2 4.38Å; F239-L253 HydrophobicContact CE1-CD1 4.09Å; F239-L253 HydrophobicContact CE1-CD2 4.31Å; F239-L253 HydrophobicContact CE2-CD2 3.77Å; F239-L253 HydrophobicContact CZ-CD1 4.09Å; F239-L253 HydrophobicContact CZ-CD2 3.74Å; F239-L253 HydrophobicContact CZ-CG 4.04Å; F239-E263 HydrophobicContact CD2-CB 4.48Å; F239-E263 HydrophobicContact CD2-CG 4.01Å; F239-E263 WeakPolarHBondContact CE1-OE1 3.25Å; F239-E263 HydrophobicContact CE2-CB 4.04Å; F239-E263 HydrophobicContact CE2-CG 3.72Å; F239-E263 HydrophobicContact CZ-CG 4.02Å; F239-E263 WeakPolarHBondContact CZ-OE1 3.07Å; F239-W277 HydrophobicContact CE1-CZ2 4.31Å; F239-W277 AromaticContact CZ-CZ2 3.89Å; F239-W277 HydrophobicContact CZ-CZ2 3.89Å
240	G	95.3	Very high	90.3	Very high	8 Å²	8	38.4 Å²	38.4	8%	0.082	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	165.5	177.9	0	0	0	0	0	114.1	T205 S206 N242	T205-G240 CarbonylContact C-O 3.31Å; T205-G240 VanDerWaalsContact CA-O 3.3Å; T205-G240 WeakPolarHBondContact CA-O 3.48Å; T205-G240 WeakPolarHBondContact CG2-O 3.24Å; S206-G240 PolarHBondContact N-O 3.16Å; G240-N242 PolarHBondContact O-N 3.19Å; G240-N242 PolarHBondContact O-ND2 2.85Å
241	G	95.7	Very high	91.9	Very high	60 Å²	60	33.6 Å²	33.6	62%	0.619	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.8	-0.8	178.9	0	0	0	0	0	116.3
242	N	97.9	Very high	93.3	Very high	7 Å²	7	26.8 Å²	26.8	4%	0.037	17%	0.173	C	C	.	.			trans	-80.1	148.6	176.8	-81.3	-77.8	0	0	0	112.8	L204 N207 R208 L209 F239 G240 L244	L204-N242 PolarHBondContact O-ND2 3.18Å; N207-N242 VanDerWaalsContact CA-OD1 3.23Å; N207-N242 WeakPolarHBondContact CA-OD1 3.49Å; N207-N242 WeakPolarHBondContact CB-OD1 3.25Å; N207-N242 PolarHBondContact N-OD1 2.69Å; N207-N242 PolarHBondContact O-OD1 2.87Å; R208-N242 PolarHBondContact N-OD1 3.27Å; L209-N242 HydrophobicContact CB-CB 4.28Å; L209-N242 VanDerWaalsContact CB-OD1 3.29Å; L209-N242 WeakPolarHBondContact CB-OD1 3.33Å; L209-N242 WeakPolarHBondContact CG-OD1 3.45Å; L209-N242 PolarHBondContact N-OD1 2.96Å; F239-N242 PolarHBondContact O-ND2 2.92Å; G240-N242 PolarHBondContact O-N 3.19Å; G240-N242 PolarHBondContact O-ND2 2.85Å; N242-L244 HydrophobicContact CB-CD2 3.98Å; N242-L244 HydrophobicContact CB-CG 4.23Å; N242-L244 PolarHBondContact O-N 3.24Å
243	P	97.4	Very high	94.4	Very high	40 Å²	40	25.5 Å²	25.5	26%	0.26	16%	0.163	S	C	.	.			trans	-80.1	63.9	177.4	35.9	-37.9	0	0	0	111.8	N207 L209 A266	N207-P243 WeakPolarHBondContact O-CD 3.43Å; L209-P243 CarbonylContact O-C 3.4Å; L209-P243 WeakPolarHBondContact O-CD 3.41Å; P243-A266 HydrophobicContact CB-CB 3.91Å
244	L	97.4	Very high	95.1	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	137	-170.5	-61.9	175.5	0	0	0	113.4	L212 F239 N242 E263 A266 S267 F276	L212-L244 HydrophobicContact CD1-CD2 4.42Å; F239-L244 HydrophobicContact CD2-CD1 4.05Å; F239-L244 HydrophobicContact CD2-CD2 4.41Å; F239-L244 HydrophobicContact CE2-CD1 3.84Å; N242-L244 HydrophobicContact CB-CD2 3.98Å; N242-L244 HydrophobicContact CB-CG 4.23Å; N242-L244 PolarHBondContact O-N 3.24Å; L244-E263 HydrophobicContact CD1-CB 4.1Å; L244-A266 PolarHBondContact O-N 3.01Å; L244-S267 PolarHBondContact O-N 3.08Å; L244-F276 HydrophobicContact CD1-CD2 4.1Å; L244-F276 HydrophobicContact CD1-CG 4.5Å
245	H	97.3	Very high	95.4	Very high	34 Å²	34	29 Å²	29	16%	0.157	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	96.2	173.9	-168.5	-9.3	0	0	0	108.7	Q210 N247 V250 S267 D315	Q210-H245 HydrophobicContact CB-CB 4.04Å; Q210-H245 WeakPolarHBondContact O-CB 3.48Å; Q210-H245 PolarHBondContact O-N 3.16Å; H245-N247 PolarHBondContact O-N 3.21Å; H245-V250 WeakPolarHBondContact O-CG2 3.21Å; H245-S267 WeakPolarHBondContact CA-OG 3.26Å; H245-S267 WeakPolarHBondContact CB-OG 3.12Å; H245-S267 VanDerWaalsContact CG-OG 3.27Å; H245-S267 PolarHBondContact ND1-OG 3.07Å; H245-D315 IonicContact CE1-OD1 2.71Å; H245-D315 PolarHBondContact CE1-OD1 3.33Å; H245-D315 IonicContact CE1-OD2 2.87Å; H245-D315 PolarHBondContact CE1-OD2 2.91Å; H245-D315 IonicContact NE2-OD1 3.24Å; H245-D315 PolarHBondContact NE2-OD1 3.05Å
246	C	97.5	Very high	95.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.			trans	-82.2	61.7	-172.4	-65	0	0	0	0	112.5	C265 S267 P268 L271 F284	C246-C265 HydrophobicContact CB-CB 3.81Å; C246-C265 WeakPolarHBondContact CB-SG 3.44Å; C246-C265 VanDerWaalsContact SG-CA 3.54Å; C246-C265 WeakPolarHBondContact SG-CB 3.2Å; C246-C265 CovalentContact SG-SG 2.03Å; C246-C265 PolarHBondContact SG-SG 2.93Å; C246-S267 PolarHBondContact N-O 3.38Å; C246-P268 WeakPolarHBondContact O-CD 3.43Å; C246-L271 HydrophobicContact CB-CB 4.48Å; C246-L271 HydrophobicContact CB-CD1 3.76Å; C246-L271 WeakPolarHBondContact O-CD1 3.26Å; C246-F284 HydrophobicContact CB-CD1 3.97Å; C246-F284 HydrophobicContact CB-CE1 3.6Å; C246-F284 HydrophobicContact CB-CZ 4.47Å
247	N	96.4	Very high	95.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-101.3	-170.5	169.9	69.3	9.9	0	0	0	110.4	H245 E249 V250 F284 V285 D315	H245-N247 PolarHBondContact O-N 3.21Å; N247-E249 PolarHBondContact O-N 3.15Å; N247-E249 VanDerWaalsContact O-N 3.16Å; N247-E249 VanDerWaalsContact OD1-CB 3.24Å; N247-E249 WeakPolarHBondContact OD1-CB 3.35Å; N247-E249 WeakPolarHBondContact OD1-CG 3.39Å; N247-E249 PolarHBondContact OD1-N 2.86Å; N247-V250 WeakPolarHBondContact O-CG2 3.25Å; N247-V250 PolarHBondContact O-N 3.4Å; N247-F284 WeakPolarHBondContact O-CD1 3.44Å; N247-V285 VanDerWaalsContact CA-O 3.31Å; N247-V285 WeakPolarHBondContact CA-O 3.09Å; N247-V285 WeakPolarHBondContact CB-O 3.38Å; N247-D315 VanDerWaalsContact CB-OD1 3.26Å; N247-D315 WeakPolarHBondContact CB-OD1 3.28Å; N247-D315 PolarHBondContact ND2-OD1 2.99Å
248	C	96	Very high	95	Very high	38 Å²	38	34.1 Å²	34.1	26%	0.257	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-61.3	-20.2	179.4	75.5	0	0	0	0	114.7	V250 L251 F284 V285 C286	C248-V250 PolarHBondContact O-N 2.9Å; C248-L251 VanDerWaalsContact O-CB 3.25Å; C248-L251 WeakPolarHBondContact O-CB 3.38Å; C248-L251 PolarHBondContact O-N 3.04Å; C248-F284 VanDerWaalsContact CA-O 3.31Å; C248-F284 WeakPolarHBondContact CA-O 3.37Å; C248-F284 WeakPolarHBondContact CB-O 3.44Å; C248-F284 PolarHBondContact N-O 2.88Å; C248-V285 PolarHBondContact N-O 3.36Å; C248-C286 VanDerWaalsContact CA-SG 3.55Å; C248-C286 HydrophobicContact CB-CB 3.84Å; C248-C286 WeakPolarHBondContact CB-SG 3.22Å; C248-C286 PolarHBondContact N-SG 2.58Å; C248-C286 WeakPolarHBondContact SG-CB 3.5Å; C248-C286 CovalentContact SG-SG 2.03Å; C248-C286 PolarHBondContact SG-SG 2.9Å
249	E	95.9	Very high	94.6	Very high	48 Å²	48	40 Å²	40	22%	0.224	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-67.8	-23.9	-178.2	-56.2	-162.7	98.3	0	0	113	K211 N247 W252 P316 A364	K211-E249 HydrophobicContact CD-CB 4.15Å; K211-E249 WeakPolarHBondContact CD-OE2 3.31Å; K211-E249 IonicContact NZ-OE1 2.67Å; K211-E249 PolarHBondContact NZ-OE1 3.3Å; K211-E249 IonicContact NZ-OE2 2.68Å; K211-E249 PolarHBondContact NZ-OE2 3.05Å; N247-E249 PolarHBondContact O-N 3.15Å; N247-E249 VanDerWaalsContact O-N 3.16Å; N247-E249 VanDerWaalsContact OD1-CB 3.24Å; N247-E249 WeakPolarHBondContact OD1-CB 3.35Å; N247-E249 WeakPolarHBondContact OD1-CG 3.39Å; N247-E249 PolarHBondContact OD1-N 2.86Å; E249-W252 PolarHBondContact O-NE1 2.91Å; E249-P316 HydrophobicContact CG-CG 4.06Å; E249-P316 VanDerWaalsContact OE2-CB 3.32Å; E249-P316 WeakPolarHBondContact OE2-CB 3.49Å; E249-P316 WeakPolarHBondContact OE2-CG 3.39Å; E249-A364 HydrophobicContact CG-CB 4.04Å
250	V	96.1	Very high	94.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-104.6	8.3	176	-62.4	0	0	0	0	113.1	K211 H245 N247 C248 W252 L253 R254 F276 F284	K211-V250 HydrophobicContact CB-CG1 3.7Å; H245-V250 WeakPolarHBondContact O-CG2 3.21Å; N247-V250 WeakPolarHBondContact O-CG2 3.25Å; N247-V250 PolarHBondContact O-N 3.4Å; C248-V250 PolarHBondContact O-N 2.9Å; V250-W252 PolarHBondContact O-N 3.33Å; V250-L253 WeakPolarHBondContact O-CB 3.35Å; V250-L253 PolarHBondContact O-N 3.31Å; V250-L253 VanDerWaalsContact O-N 3.08Å; V250-R254 PolarHBondContact O-N 2.95Å; V250-F276 HydrophobicContact CB-CE2 4.25Å; V250-F276 HydrophobicContact CB-CZ 4.5Å; V250-F276 HydrophobicContact CG2-CE2 3.93Å; V250-F284 HydrophobicContact CG2-CD1 3.88Å; V250-F284 HydrophobicContact CG2-CE1 3.9Å
251	L	95.6	Very high	93.6	Very high	30 Å²	30	47.5 Å²	47.5	16%	0.157	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-30.1	176.1	177.4	58.2	0	0	0	112.4	C248 L253 R254 R255 E281 F284	C248-L251 VanDerWaalsContact O-CB 3.25Å; C248-L251 WeakPolarHBondContact O-CB 3.38Å; C248-L251 PolarHBondContact O-N 3.04Å; L251-L253 VanDerWaalsContact C-N 3.32Å; L251-R254 PolarHBondContact O-N 2.82Å; L251-R255 WeakPolarHBondContact O-CG 3.5Å; L251-R255 PolarHBondContact O-N 2.96Å; L251-E281 HydrophobicContact CD1-CB 3.74Å; L251-E281 HydrophobicContact CD1-CG 3.73Å; L251-F284 HydrophobicContact CB-CB 4.27Å; L251-F284 HydrophobicContact CD1-CB 4.21Å
252	W	94.3	Very high	93.4	Very high	56 Å²	56	50.8 Å²	50.8	21%	0.212	24%	0.243	C	C	.	.	H	α-helix	trans	-64.6	-38.2	173.5	72.5	-95.1	0	0	0	111.7	L212 P213 P214 F218 E249 V250 R255 L256	L212-W252 HydrophobicContact CB-CH2 4.48Å; L212-W252 HydrophobicContact CB-CZ2 3.99Å; L212-W252 WeakPolarHBondContact O-CZ2 3.45Å; P213-W252 VanDerWaalsContact O-CZ2 3.3Å; P213-W252 WeakPolarHBondContact O-CZ2 3.46Å; P214-W252 HydrophobicContact CB-CD2 4.05Å; P214-W252 HydrophobicContact CB-CG 4.12Å; F218-W252 HydrophobicContact CB-CH2 4.05Å; F218-W252 HydrophobicContact CB-CZ3 3.73Å; F218-W252 AromaticContact CD2-CH2 3.35Å; F218-W252 HydrophobicContact CD2-CH2 3.35Å; F218-W252 HydrophobicContact CD2-CZ2 4.27Å; F218-W252 AromaticContact CD2-CZ3 3.85Å; F218-W252 HydrophobicContact CD2-CZ3 3.85Å; F218-W252 HydrophobicContact CE2-CH2 4.02Å; F218-W252 AromaticContact CG-CH2 3.9Å; F218-W252 HydrophobicContact CG-CH2 3.9Å; F218-W252 HydrophobicContact CG-CZ3 4.12Å; E249-W252 PolarHBondContact O-NE1 2.91Å; V250-W252 PolarHBondContact O-N 3.33Å; W252-R255 PolarHBondContact O-N 3.26Å; W252-L256 HydrophobicContact CZ3-CD1 4.27Å
253	L	94.4	Very high	93.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-71	-39.5	178.6	179.3	59	0	0	0	110.4	L212 F239 V250 L251 R255 L256 F276 W277	L212-L253 HydrophobicContact CD1-CD2 4.28Å; F239-L253 HydrophobicContact CD2-CD2 4.38Å; F239-L253 HydrophobicContact CE1-CD1 4.09Å; F239-L253 HydrophobicContact CE1-CD2 4.31Å; F239-L253 HydrophobicContact CE2-CD2 3.77Å; F239-L253 HydrophobicContact CZ-CD1 4.09Å; F239-L253 HydrophobicContact CZ-CD2 3.74Å; F239-L253 HydrophobicContact CZ-CG 4.04Å; V250-L253 WeakPolarHBondContact O-CB 3.35Å; V250-L253 PolarHBondContact O-N 3.31Å; V250-L253 VanDerWaalsContact O-N 3.08Å; L251-L253 VanDerWaalsContact C-N 3.32Å; L253-R255 PolarHBondContact O-N 3.28Å; L253-L256 HydrophobicContact CD1-CD1 3.84Å; L253-L256 WeakPolarHBondContact O-CB 3.4Å; L253-L256 WeakPolarHBondContact O-CG 3.49Å; L253-L256 PolarHBondContact O-N 2.86Å; L253-L256 VanDerWaalsContact O-N 3.15Å; L253-F276 HydrophobicContact CB-CZ 4.11Å; L253-F276 HydrophobicContact CD2-CZ 4.12Å; L253-F276 HydrophobicContact CG-CE1 4.06Å; L253-F276 HydrophobicContact CG-CZ 3.9Å; L253-W277 WeakPolarHBondContact O-CH2 3.32Å; L253-W277 WeakPolarHBondContact O-CZ3 3.41Å
254	R	94.5	Very high	93.2	Very high	56 Å²	56	51 Å²	51	21%	0.211	24%	0.244	C	C	.	.	H	α-helix	trans	-61.6	-24.4	173.5	-180	59.7	-170.4	88.1	-12	113.1	V250 L251 L256 F276 W277 V279 E281 F284	V250-R254 PolarHBondContact O-N 2.95Å; L251-R254 PolarHBondContact O-N 2.82Å; R254-L256 VanDerWaalsContact C-N 3.33Å; R254-F276 HydrophobicContact CB-CE1 4.07Å; R254-F276 HydrophobicContact CB-CZ 3.89Å; R254-W277 PolarHBondContact NE-O 2.89Å; R254-W277 PolarHBondContact NH2-O 2.76Å; R254-V279 PolarHBondContact NE-O 2.88Å; R254-V279 PolarHBondContact NH2-O 2.87Å; R254-E281 HydrophobicContact CG-CG 4.26Å; R254-F284 HydrophobicContact CB-CE2 4.06Å; R254-F284 HydrophobicContact CB-CZ 4.07Å; R254-F284 HydrophobicContact CG-CD2 4.16Å; R254-F284 HydrophobicContact CG-CE2 3.54Å; R254-F284 HydrophobicContact CG-CZ 3.94Å
255	R	93.4	Very high	93.3	Very high	151 Å²	151	51 Å²	51	57%	0.57	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.3	177.8	-76.3	172.6	173.5	155.2	9.1	114.7	L251 W252 L253 E281	L251-R255 WeakPolarHBondContact O-CG 3.5Å; L251-R255 PolarHBondContact O-N 2.96Å; W252-R255 PolarHBondContact O-N 3.26Å; L253-R255 PolarHBondContact O-N 3.28Å; R255-E281 IonicContact CZ-OE2 3.88Å; R255-E281 VanDerWaalsContact CZ-OE2 3.24Å; R255-E281 IonicContact NE-OE2 2.74Å; R255-E281 PolarHBondContact NE-OE2 2.69Å; R255-E281 IonicContact NH2-OE2 2.68Å; R255-E281 PolarHBondContact NH2-OE2 2.86Å
256	L	91.3	Very high	93.3	Very high	16 Å²	16	51.1 Å²	51.1	8%	0.084	25%	0.251	C	S	.	.	S	Bend	trans	-75.2	139.1	172.2	-54.1	-172.4	0	0	0	110.2	F218 Q222 W252 L253 R254 R258 W277	F218-L256 HydrophobicContact CB-CD1 4.42Å; Q222-L256 HydrophobicContact CG-CB 4.09Å; Q222-L256 HydrophobicContact CG-CD2 4.1Å; Q222-L256 VanDerWaalsContact NE2-CD2 3.31Å; W252-L256 HydrophobicContact CZ3-CD1 4.27Å; L253-L256 HydrophobicContact CD1-CD1 3.84Å; L253-L256 WeakPolarHBondContact O-CB 3.4Å; L253-L256 WeakPolarHBondContact O-CG 3.49Å; L253-L256 PolarHBondContact O-N 2.86Å; L253-L256 VanDerWaalsContact O-N 3.15Å; R254-L256 VanDerWaalsContact C-N 3.33Å; L256-R258 HydrophobicContact CB-CG 4.17Å; L256-R258 PolarHBondContact O-N 3.06Å; L256-W277 HydrophobicContact CB-CH2 4.48Å; L256-W277 WeakPolarHBondContact O-CZ3 3.32Å
257	D	89.1	Confident	93.2	Very high	106 Å²	106	52.6 Å²	52.6	57%	0.567	26%	0.261	S	S	*	.			trans	-84	105.8	169.7	-173.8	32.5	0	0	0	108.9	Q222 S223	Q222-D257 CarbonylContact C-O 3.56Å; Q222-D257 VanDerWaalsContact CA-O 3.23Å; Q222-D257 WeakPolarHBondContact CA-O 3.39Å; S223-D257 PolarHBondContact N-O 3.08Å
258	R	89.2	Confident	93.2	Very high	42 Å²	42	53.8 Å²	53.8	16%	0.158	27%	0.269	C	S	.	.			trans	-143.2	160.9	-169.9	-83.8	-171.1	57	86.7	-0.4	111.7	S221 L237 L256 D261 W277	S221-R258 WeakPolarHBondContact O-CG 3.25Å; S221-R258 PolarHBondContact O-NH1 2.86Å; L237-R258 PolarHBondContact O-NH1 2.79Å; L237-R258 PolarHBondContact O-NH2 2.88Å; L256-R258 HydrophobicContact CB-CG 4.17Å; L256-R258 PolarHBondContact O-N 3.06Å; R258-D261 IonicContact NH2-OD2 3.02Å; R258-D261 PolarHBondContact NH2-OD2 3.43Å; R258-D261 VanDerWaalsContact NH2-OD2 3.16Å; R258-W277 HydrophobicContact CB-CH2 3.93Å; R258-W277 HydrophobicContact CB-CZ2 3.94Å; R258-W277 HydrophobicContact CB-CZ3 4.48Å; R258-W277 HydrophobicContact CG-CH2 4.37Å
259	E	85.3	Confident	93.2	Very high	147 Å²	147	56.7 Å²	56.7	69%	0.687	30%	0.296	S	S	*	.			trans	-73.7	154.1	169.1	-59.7	-174.2	-173.9	0	0	110.9	D261	E259-D261 PolarHBondContact O-N 3.08Å
260	D	85	Confident	93.1	Very high	86 Å²	86	59 Å²	59	46%	0.46	32%	0.317	S	S	.	.			trans	-92	98.5	-175.9	-170.9	-18.9	0	0	0	110.1	M262	D260-M262 PolarHBondContact O-N 2.88Å; D260-M262 WeakPolarHBondContact OD1-CA 3.06Å; D260-M262 PolarHBondContact OD1-N 2.87Å
261	D	86.2	Confident	93.1	Very high	78 Å²	78	59.1 Å²	59.1	42%	0.417	32%	0.318	S	S	.	.			trans	-83	18.4	177.9	-68.6	-51.4	0	0	0	111.9	R258 E259 E263	R258-D261 IonicContact NH2-OD2 3.02Å; R258-D261 PolarHBondContact NH2-OD2 3.43Å; R258-D261 VanDerWaalsContact NH2-OD2 3.16Å; E259-D261 PolarHBondContact O-N 3.08Å; D261-E263 WeakPolarHBondContact CA-OE2 3.45Å; D261-E263 HydrophobicContact CB-CG 4.31Å; D261-E263 PolarHBondContact N-OE2 3.03Å; D261-E263 PolarHBondContact O-N 2.81Å
262	M	91	Very high	93.2	Very high	130 Å²	130	64.9 Å²	64.9	64%	0.64	34%	0.342	S	S	*	.			trans	61.1	26.5	-177	-57.7	173.4	-76.2	0	0	114	D260 T264 Y275	D260-M262 PolarHBondContact O-N 2.88Å; D260-M262 WeakPolarHBondContact OD1-CA 3.06Å; D260-M262 PolarHBondContact OD1-N 2.87Å; M262-T264 PolarHBondContact O-N 2.94Å; M262-T264 PolarHBondContact O-OG1 3.34Å; M262-Y275 HydrophobicContact CB-CD1 4.15Å; M262-Y275 HydrophobicContact CB-CE1 3.99Å; M262-Y275 HydrophobicContact CG-CE1 4.4Å
263	E	95.7	Very high	93.2	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.005	36%	0.359	C	S	.	.			trans	-57.8	139.6	174.9	-47	98.4	118.5	0	0	109.8	F239 L244 D261 Y275 F276 W277	F239-E263 HydrophobicContact CD2-CB 4.48Å; F239-E263 HydrophobicContact CD2-CG 4.01Å; F239-E263 WeakPolarHBondContact CE1-OE1 3.25Å; F239-E263 HydrophobicContact CE2-CB 4.04Å; F239-E263 HydrophobicContact CE2-CG 3.72Å; F239-E263 HydrophobicContact CZ-CG 4.02Å; F239-E263 WeakPolarHBondContact CZ-OE1 3.07Å; L244-E263 HydrophobicContact CD1-CB 4.1Å; D261-E263 WeakPolarHBondContact CA-OE2 3.45Å; D261-E263 HydrophobicContact CB-CG 4.31Å; D261-E263 PolarHBondContact N-OE2 3.03Å; D261-E263 PolarHBondContact O-N 2.81Å; E263-Y275 CarbonylContact O-C 3.56Å; E263-Y275 VanDerWaalsContact O-CA 3.27Å; E263-Y275 WeakPolarHBondContact O-CA 3.39Å; E263-F276 HydrophobicContact CB-CB 4.09Å; E263-F276 WeakPolarHBondContact O-CB 3.23Å; E263-F276 PolarHBondContact O-N 2.94Å; E263-W277 PolarHBondContact OE1-NE1 2.91Å; E263-W277 VanDerWaalsContact OE2-CD1 3.28Å; E263-W277 PolarHBondContact OE2-NE1 2.79Å
264	T	96.4	Very high	93.3	Very high	49 Å²	49	68.7 Å²	68.7	30%	0.301	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-132.8	132.5	-165.1	-65.2	0	0	0	0	111.7	M262 R274	M262-T264 PolarHBondContact O-N 2.94Å; M262-T264 PolarHBondContact O-OG1 3.34Å; T264-R274 WeakPolarHBondContact CA-O 3.35Å
265	C	97.8	Very high	93.4	Very high	1 Å²	1	71.7 Å²	71.7	1%	0.007	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	128.1	175.2	-62	0	0	0	0	111.1	C246 L271 K272 G273 R274	C246-C265 HydrophobicContact CB-CB 3.81Å; C246-C265 WeakPolarHBondContact CB-SG 3.44Å; C246-C265 VanDerWaalsContact SG-CA 3.54Å; C246-C265 WeakPolarHBondContact SG-CB 3.2Å; C246-C265 CovalentContact SG-SG 2.03Å; C246-C265 PolarHBondContact SG-SG 2.93Å; C265-L271 HydrophobicContact CB-CB 4.1Å; C265-L271 WeakPolarHBondContact CB-O 3.4Å; C265-K272 CarbonylContact O-C 3.51Å; C265-K272 WeakPolarHBondContact O-CA 3.45Å; C265-G273 PolarHBondContact O-N 2.72Å; C265-R274 PolarHBondContact N-O 3.38Å
266	A	97.6	Very high	93.5	Very high	37 Å²	37	64.5 Å²	64.5	31%	0.306	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-29	172.6	0	0	0	0	0	112.8	P243 L244 K272	P243-A266 HydrophobicContact CB-CB 3.91Å; L244-A266 PolarHBondContact O-N 3.01Å; A266-K272 WeakPolarHBondContact O-CB 3.27Å; A266-K272 WeakPolarHBondContact O-CD 3.25Å; A266-K272 VanDerWaalsContact O-CG 3.29Å; A266-K272 WeakPolarHBondContact O-CG 3.42Å
267	S	96.4	Very high	93.7	Very high	31 Å²	31	65 Å²	65	22%	0.217	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	165.1	175.4	49.4	0	0	0	0	109.8	L244 H245 C246	L244-S267 PolarHBondContact O-N 3.08Å; H245-S267 WeakPolarHBondContact CA-OG 3.26Å; H245-S267 WeakPolarHBondContact CB-OG 3.12Å; H245-S267 VanDerWaalsContact CG-OG 3.27Å; H245-S267 PolarHBondContact ND1-OG 3.07Å; C246-S267 PolarHBondContact N-O 3.38Å
268	P	96.1	Very high	93.9	Very high	26 Å²	26	62.7 Å²	62.7	17%	0.169	35%	0.352	C	S	.	.	S	Bend	cis	-63.4	172.1	-12.1	28.8	-35.9	0	0	0	112.7	C246 S270 L271 K272	C246-P268 WeakPolarHBondContact O-CD 3.43Å; P268-S270 PolarHBondContact O-N 3.02Å; P268-S270 VanDerWaalsContact O-N 3.08Å; P268-L271 HydrophobicContact CG-CD1 4.45Å; P268-L271 PolarHBondContact O-N 2.87Å; P268-K272 PolarHBondContact O-N 2.97Å; P268-K272 VanDerWaalsContact O-N 3.08Å
269	A	95.3	Very high	94.2	Very high	98 Å²	98	60.8 Å²	60.8	81%	0.81	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.2	-172.6	0	0	0	0	0	114.5
270	S	95.1	Very high	94.7	Very high	96 Å²	96	61.4 Å²	61.4	67%	0.671	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-28.5	173.6	45.7	0	0	0	0	114.1	P268	P268-S270 PolarHBondContact O-N 3.02Å; P268-S270 VanDerWaalsContact O-N 3.08Å
271	L	96.2	Very high	95.2	Very high	4 Å²	4	61.1 Å²	61.1	2%	0.021	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-10.3	-176.4	-64.2	179.7	0	0	0	113.5	C246 C265 P268 G273 R274 V279 E283	C246-L271 HydrophobicContact CB-CB 4.48Å; C246-L271 HydrophobicContact CB-CD1 3.76Å; C246-L271 WeakPolarHBondContact O-CD1 3.26Å; C265-L271 HydrophobicContact CB-CB 4.1Å; C265-L271 WeakPolarHBondContact CB-O 3.4Å; P268-L271 HydrophobicContact CG-CD1 4.45Å; P268-L271 PolarHBondContact O-N 2.87Å; L271-G273 PolarHBondContact O-N 3.16Å; L271-R274 WeakPolarHBondContact O-CB 3.36Å; L271-R274 PolarHBondContact O-N 3.49Å; L271-V279 HydrophobicContact CD1-CG1 3.91Å; L271-V279 HydrophobicContact CD2-CG1 3.72Å; L271-V279 HydrophobicContact CD2-CG2 4.08Å; L271-V279 HydrophobicContact CG-CG1 4.46Å; L271-E283 HydrophobicContact CD2-CB 4.19Å
272	K	96.3	Very high	95.7	Very high	152 Å²	152	64.7 Å²	64.7	66%	0.661	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	120.3	-179.6	-178.9	168.6	-174.3	167.7	0	112.8	C265 A266 P268	C265-K272 CarbonylContact O-C 3.51Å; C265-K272 WeakPolarHBondContact O-CA 3.45Å; A266-K272 WeakPolarHBondContact O-CB 3.27Å; A266-K272 WeakPolarHBondContact O-CD 3.25Å; A266-K272 VanDerWaalsContact O-CG 3.29Å; A266-K272 WeakPolarHBondContact O-CG 3.42Å; P268-K272 PolarHBondContact O-N 2.97Å; P268-K272 VanDerWaalsContact O-N 3.08Å
273	G	95.4	Very high	95.9	Very high	56 Å²	56	61.5 Å²	61.5	58%	0.577	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	5.3	179.2	0	0	0	0	0	115.2	C265 L271	C265-G273 PolarHBondContact O-N 2.72Å; L271-G273 PolarHBondContact O-N 3.16Å
274	R	96.1	Very high	96	Very high	79 Å²	79	61.8 Å²	61.8	30%	0.298	34%	0.335	S	S	.	.	S	Bend	trans	-90.8	145.1	169.3	-69.7	177.3	62.8	-174.5	-6.3	111.3	T264 C265 L271 S278 V279 E283	T264-R274 WeakPolarHBondContact CA-O 3.35Å; C265-R274 PolarHBondContact N-O 3.38Å; L271-R274 WeakPolarHBondContact O-CB 3.36Å; L271-R274 PolarHBondContact O-N 3.49Å; R274-S278 PolarHBondContact NH2-O 3.44Å; R274-S278 VanDerWaalsContact NH2-O 3.11Å; R274-V279 HydrophobicContact CB-CG2 3.99Å; R274-E283 IonicContact CZ-OE1 3.55Å; R274-E283 IonicContact CZ-OE2 3.57Å; R274-E283 IonicContact NH1-OE1 3.42Å; R274-E283 PolarHBondContact NH1-OE1 2.68Å; R274-E283 IonicContact NH1-OE2 2.67Å; R274-E283 PolarHBondContact NH1-OE2 2.72Å; R274-E283 IonicContact NH2-OE1 2.83Å; R274-E283 PolarHBondContact NH2-OE1 2.74Å; R274-E283 IonicContact NH2-OE2 3.59Å
275	Y	96.2	Very high	96	Very high	119 Å²	119	63.8 Å²	63.8	47%	0.467	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-65.8	133.7	170.4	-58.2	-67.2	0	0	0	110.5	M262 E263 W277 S278 V279	M262-Y275 HydrophobicContact CB-CD1 4.15Å; M262-Y275 HydrophobicContact CB-CE1 3.99Å; M262-Y275 HydrophobicContact CG-CE1 4.4Å; E263-Y275 CarbonylContact O-C 3.56Å; E263-Y275 VanDerWaalsContact O-CA 3.27Å; E263-Y275 WeakPolarHBondContact O-CA 3.39Å; Y275-W277 PolarHBondContact O-N 3.5Å; Y275-S278 WeakPolarHBondContact O-CA 3.39Å; Y275-S278 WeakPolarHBondContact O-CB 3.37Å; Y275-S278 PolarHBondContact O-N 2.69Å; Y275-S278 PolarHBondContact O-OG 3.35Å; Y275-V279 PolarHBondContact O-N 3.15Å
276	F	96.7	Very high	95.9	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-54.7	-50.2	-171.3	179.6	-99.6	0	0	0	112.4	L244 V250 L253 R254 E263 S278 V279 F284	L244-F276 HydrophobicContact CD1-CD2 4.1Å; L244-F276 HydrophobicContact CD1-CG 4.5Å; V250-F276 HydrophobicContact CB-CE2 4.25Å; V250-F276 HydrophobicContact CB-CZ 4.5Å; V250-F276 HydrophobicContact CG2-CE2 3.93Å; L253-F276 HydrophobicContact CB-CZ 4.11Å; L253-F276 HydrophobicContact CD2-CZ 4.12Å; L253-F276 HydrophobicContact CG-CE1 4.06Å; L253-F276 HydrophobicContact CG-CZ 3.9Å; R254-F276 HydrophobicContact CB-CE1 4.07Å; R254-F276 HydrophobicContact CB-CZ 3.89Å; E263-F276 HydrophobicContact CB-CB 4.09Å; E263-F276 WeakPolarHBondContact O-CB 3.23Å; E263-F276 PolarHBondContact O-N 2.94Å; F276-S278 VanDerWaalsContact C-N 3.27Å; F276-S278 PolarHBondContact O-N 3.4Å; F276-V279 WeakPolarHBondContact O-CB 3.36Å; F276-V279 PolarHBondContact O-N 3.29Å; F276-V279 VanDerWaalsContact O-N 3.16Å; F276-F284 HydrophobicContact CD2-CE1 4.03Å; F276-F284 HydrophobicContact CD2-CZ 4.05Å; F276-F284 AromaticContact CE2-CE1 3.61Å; F276-F284 HydrophobicContact CE2-CE1 3.61Å; F276-F284 AromaticContact CE2-CZ 3.89Å; F276-F284 HydrophobicContact CE2-CZ 3.89Å; F276-F284 HydrophobicContact CZ-CE1 4.32Å; F276-F284 HydrophobicContact CZ-CZ 4.38Å
277	W	94.6	Very high	95.9	Very high	26 Å²	26	68.8 Å²	68.8	10%	0.098	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-68.7	-23.6	178.9	-52.7	106.2	0	0	0	113.1	F239 L253 R254 L256 R258 E263 Y275 V279	F239-W277 HydrophobicContact CE1-CZ2 4.31Å; F239-W277 AromaticContact CZ-CZ2 3.89Å; F239-W277 HydrophobicContact CZ-CZ2 3.89Å; L253-W277 WeakPolarHBondContact O-CH2 3.32Å; L253-W277 WeakPolarHBondContact O-CZ3 3.41Å; R254-W277 PolarHBondContact NE-O 2.89Å; R254-W277 PolarHBondContact NH2-O 2.76Å; L256-W277 HydrophobicContact CB-CH2 4.48Å; L256-W277 WeakPolarHBondContact O-CZ3 3.32Å; R258-W277 HydrophobicContact CB-CH2 3.93Å; R258-W277 HydrophobicContact CB-CZ2 3.94Å; R258-W277 HydrophobicContact CB-CZ3 4.48Å; R258-W277 HydrophobicContact CG-CH2 4.37Å; E263-W277 PolarHBondContact OE1-NE1 2.91Å; E263-W277 VanDerWaalsContact OE2-CD1 3.28Å; E263-W277 PolarHBondContact OE2-NE1 2.79Å; Y275-W277 PolarHBondContact O-N 3.5Å; W277-V279 VanDerWaalsContact C-N 3.26Å; W277-V279 PolarHBondContact O-N 2.88Å
278	S	93.9	Very high	95.9	Very high	59 Å²	59	71.2 Å²	71.2	41%	0.413	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-76.2	-9.2	174.4	83.8	0	0	0	0	114.3	R274 Y275 F276	R274-S278 PolarHBondContact NH2-O 3.44Å; R274-S278 VanDerWaalsContact NH2-O 3.11Å; Y275-S278 WeakPolarHBondContact O-CA 3.39Å; Y275-S278 WeakPolarHBondContact O-CB 3.37Å; Y275-S278 PolarHBondContact O-N 2.69Å; Y275-S278 PolarHBondContact O-OG 3.35Å; F276-S278 VanDerWaalsContact C-N 3.27Å; F276-S278 PolarHBondContact O-N 3.4Å
279	V	95.5	Very high	96	Very high	1 Å²	1	70.5 Å²	70.5	1%	0.006	38%	0.376	C	S	.	.	S	Bend	trans	-85.9	137.8	173.9	-176	0	0	0	0	109.4	R254 L271 R274 Y275 F276 W277 E283 F284	R254-V279 PolarHBondContact NE-O 2.88Å; R254-V279 PolarHBondContact NH2-O 2.87Å; L271-V279 HydrophobicContact CD1-CG1 3.91Å; L271-V279 HydrophobicContact CD2-CG1 3.72Å; L271-V279 HydrophobicContact CD2-CG2 4.08Å; L271-V279 HydrophobicContact CG-CG1 4.46Å; R274-V279 HydrophobicContact CB-CG2 3.99Å; Y275-V279 PolarHBondContact O-N 3.15Å; F276-V279 WeakPolarHBondContact O-CB 3.36Å; F276-V279 PolarHBondContact O-N 3.29Å; F276-V279 VanDerWaalsContact O-N 3.16Å; W277-V279 VanDerWaalsContact C-N 3.26Å; W277-V279 PolarHBondContact O-N 2.88Å; V279-E283 HydrophobicContact CG1-CB 3.63Å; V279-E283 HydrophobicContact CG1-CG 4.3Å; V279-F284 HydrophobicContact CB-CE2 3.6Å; V279-F284 HydrophobicContact CB-CZ 3.83Å; V279-F284 HydrophobicContact CG1-CD2 3.87Å; V279-F284 HydrophobicContact CG1-CE2 3.36Å; V279-F284 HydrophobicContact CG1-CZ 3.87Å
280	R	95.8	Very high	96	Very high	160 Å²	160	71.3 Å²	71.3	60%	0.604	37%	0.366	S	S	*	.			trans	-80	148.9	176.4	-55.8	178	-179.2	-175.9	0.6	110.2	E282 E283 F284	R280-E282 HydrophobicContact CB-CB 4.49Å; R280-E282 PolarHBondContact O-N 2.89Å; R280-E282 VanDerWaalsContact O-N 3.11Å; R280-E283 HydrophobicContact CB-CG 4.18Å; R280-E283 PolarHBondContact N-OE1 3.35Å; R280-E283 WeakPolarHBondContact O-CB 3.2Å; R280-E283 PolarHBondContact O-N 3.3Å; R280-F284 VanDerWaalsContact O-CD2 3.29Å; R280-F284 WeakPolarHBondContact O-CD2 3.44Å
281	E	95.9	Very high	96.1	Very high	81 Å²	81	67.8 Å²	67.8	38%	0.379	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-50.2	-37.8	174.4	-72.7	-171	-132	0	0	113.4	L251 R254 R255 E283 F284	L251-E281 HydrophobicContact CD1-CB 3.74Å; L251-E281 HydrophobicContact CD1-CG 3.73Å; R254-E281 HydrophobicContact CG-CG 4.26Å; R255-E281 IonicContact CZ-OE2 3.88Å; R255-E281 VanDerWaalsContact CZ-OE2 3.24Å; R255-E281 IonicContact NE-OE2 2.74Å; R255-E281 PolarHBondContact NE-OE2 2.69Å; R255-E281 IonicContact NH2-OE2 2.68Å; R255-E281 PolarHBondContact NH2-OE2 2.86Å; E281-E283 PolarHBondContact O-N 2.88Å; E281-E283 VanDerWaalsContact O-N 3.13Å; E281-F284 PolarHBondContact O-N 2.8Å
282	E	95.4	Very high	96	Very high	153 Å²	153	71 Å²	71	72%	0.715	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-56.3	-23.5	176.3	-64.7	159.9	-156.1	0	0	114.3	R280	R280-E282 HydrophobicContact CB-CB 4.49Å; R280-E282 PolarHBondContact O-N 2.89Å; R280-E282 VanDerWaalsContact O-N 3.11Å
283	E	96.5	Very high	95.9	Very high	63 Å²	63	69.5 Å²	69.5	29%	0.294	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-93.3	-13.2	-175.6	-53.2	-179.2	-94.6	0	0	112.8	L271 R274 V279 R280 E281 V285	L271-E283 HydrophobicContact CD2-CB 4.19Å; R274-E283 IonicContact CZ-OE1 3.55Å; R274-E283 IonicContact CZ-OE2 3.57Å; R274-E283 IonicContact NH1-OE1 3.42Å; R274-E283 PolarHBondContact NH1-OE1 2.68Å; R274-E283 IonicContact NH1-OE2 2.67Å; R274-E283 PolarHBondContact NH1-OE2 2.72Å; R274-E283 IonicContact NH2-OE1 2.83Å; R274-E283 PolarHBondContact NH2-OE1 2.74Å; R274-E283 IonicContact NH2-OE2 3.59Å; V279-E283 HydrophobicContact CG1-CB 3.63Å; V279-E283 HydrophobicContact CG1-CG 4.3Å; R280-E283 HydrophobicContact CB-CG 4.18Å; R280-E283 PolarHBondContact N-OE1 3.35Å; R280-E283 WeakPolarHBondContact O-CB 3.2Å; R280-E283 PolarHBondContact O-N 3.3Å; E281-E283 PolarHBondContact O-N 2.88Å; E281-E283 VanDerWaalsContact O-N 3.13Å; E283-V285 VanDerWaalsContact C-N 3.27Å; E283-V285 PolarHBondContact O-N 3.49Å
284	F	96.9	Very high	95.9	Very high	6 Å²	6	69.7 Å²	69.7	3%	0.026	34%	0.341	C	S	.	.			trans	-82.1	69.3	177.3	-70.7	-94.3	0	0	0	110.8	C246 N247 C248 V250 L251 R254 F276 V279 R280 E281	C246-F284 HydrophobicContact CB-CD1 3.97Å; C246-F284 HydrophobicContact CB-CE1 3.6Å; C246-F284 HydrophobicContact CB-CZ 4.47Å; N247-F284 WeakPolarHBondContact O-CD1 3.44Å; C248-F284 VanDerWaalsContact CA-O 3.31Å; C248-F284 WeakPolarHBondContact CA-O 3.37Å; C248-F284 WeakPolarHBondContact CB-O 3.44Å; C248-F284 PolarHBondContact N-O 2.88Å; V250-F284 HydrophobicContact CG2-CD1 3.88Å; V250-F284 HydrophobicContact CG2-CE1 3.9Å; L251-F284 HydrophobicContact CB-CB 4.27Å; L251-F284 HydrophobicContact CD1-CB 4.21Å; R254-F284 HydrophobicContact CB-CE2 4.06Å; R254-F284 HydrophobicContact CB-CZ 4.07Å; R254-F284 HydrophobicContact CG-CD2 4.16Å; R254-F284 HydrophobicContact CG-CE2 3.54Å; R254-F284 HydrophobicContact CG-CZ 3.94Å; F276-F284 HydrophobicContact CD2-CE1 4.03Å; F276-F284 HydrophobicContact CD2-CZ 4.05Å; F276-F284 AromaticContact CE2-CE1 3.61Å; F276-F284 HydrophobicContact CE2-CE1 3.61Å; F276-F284 AromaticContact CE2-CZ 3.89Å; F276-F284 HydrophobicContact CE2-CZ 3.89Å; F276-F284 HydrophobicContact CZ-CE1 4.32Å; F276-F284 HydrophobicContact CZ-CZ 4.38Å; V279-F284 HydrophobicContact CB-CE2 3.6Å; V279-F284 HydrophobicContact CB-CZ 3.83Å; V279-F284 HydrophobicContact CG1-CD2 3.87Å; V279-F284 HydrophobicContact CG1-CE2 3.36Å; V279-F284 HydrophobicContact CG1-CZ 3.87Å; R280-F284 VanDerWaalsContact O-CD2 3.29Å; R280-F284 WeakPolarHBondContact O-CD2 3.44Å; E281-F284 PolarHBondContact O-N 2.8Å
285	V	96	Very high	95.8	Very high	91 Å²	91	67.2 Å²	67.2	55%	0.552	34%	0.335	S	S	*	.			trans	-91.5	152.3	-177.4	-178	0	0	0	0	110.9	N247 C248 E283	N247-V285 VanDerWaalsContact CA-O 3.31Å; N247-V285 WeakPolarHBondContact CA-O 3.09Å; N247-V285 WeakPolarHBondContact CB-O 3.38Å; C248-V285 PolarHBondContact N-O 3.36Å; E283-V285 VanDerWaalsContact C-N 3.27Å; E283-V285 PolarHBondContact O-N 3.49Å
286	C	96.9	Very high	95.6	Very high	17 Å²	17	68.1 Å²	68.1	12%	0.115	34%	0.343	C	S	.	.			trans	-117.7	149.4	166	-77.6	0	0	0	0	109.5	C248 D315 A365	C248-C286 VanDerWaalsContact CA-SG 3.55Å; C248-C286 HydrophobicContact CB-CB 3.84Å; C248-C286 WeakPolarHBondContact CB-SG 3.22Å; C248-C286 PolarHBondContact N-SG 2.58Å; C248-C286 WeakPolarHBondContact SG-CB 3.5Å; C248-C286 CovalentContact SG-SG 2.03Å; C248-C286 PolarHBondContact SG-SG 2.9Å; C286-D315 CarbonylContact C-O 3.46Å; C286-D315 VanDerWaalsContact CA-O 3.27Å; C286-D315 WeakPolarHBondContact CA-O 3.42Å; C286-D315 WeakPolarHBondContact CB-O 3.48Å; C286-A365 HydrophobicContact CB-CB 3.71Å
287	E	96.4	Very high	95.5	Very high	126 Å²	126	73.7 Å²	73.7	59%	0.589	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.9	176.6	-61.2	-170.5	162.8	0	0	110.1	D315 N363	E287-D315 HydrophobicContact CB-CB 3.98Å; E287-D315 HydrophobicContact CG-CB 4.18Å; E287-D315 PolarHBondContact N-O 2.86Å; E287-D315 PolarHBondContact O-N 3.48Å; E287-D315 VanDerWaalsContact O-N 3.08Å; E287-D315 VanDerWaalsContact O-O 3.13Å; E287-N363 PolarHBondContact O-ND2 3.39Å
288	P	97	Very high	95.4	Very high	83 Å²	83	74.4 Å²	74.4	54%	0.539	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	156.1	-179.4	28.7	-35.6	0	0	0	111.7	A365	P288-A365 HydrophobicContact CB-CB 4.19Å
289	P	97.6	Very high	95.4	Very high	11 Å²	11	76.7 Å²	76.7	7%	0.071	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	141.6	-175.7	26.4	-33.9	0	0	0	112.2	V313 P318 A361 N363 G366 S368	P289-V313 WeakPolarHBondContact CA-O 3.37Å; P289-P318 HydrophobicContact CB-CB 3.9Å; P289-P318 HydrophobicContact CB-CG 4.18Å; P289-A361 HydrophobicContact CB-CB 4.18Å; P289-A361 VanDerWaalsContact CG-O 3.24Å; P289-A361 WeakPolarHBondContact CG-O 3.32Å; P289-N363 WeakPolarHBondContact CD-OD1 3.49Å; P289-G366 WeakPolarHBondContact CD-O 3.37Å; P289-G366 WeakPolarHBondContact CG-O 2.99Å; P289-S368 WeakPolarHBondContact O-CB 3.39Å
290	L	96.7	Very high	95.3	Very high	114 Å²	114	77.2 Å²	77.2	60%	0.597	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	115.3	171.5	177.9	63.2	0	0	0	109	T292 A312 V313	L290-T292 HydrophobicContact CG-CG2 4.48Å; L290-T292 PolarHBondContact O-N 3.34Å; L290-A312 CarbonylContact O-C 3.42Å; L290-A312 VanDerWaalsContact O-CA 3.23Å; L290-A312 WeakPolarHBondContact O-CA 3.34Å; L290-V313 PolarHBondContact N-O 3.36Å; L290-V313 PolarHBondContact O-N 3.19Å
291	I	96.4	Very high	95.2	Very high	23 Å²	23	72.6 Å²	72.6	12%	0.118	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	112.7	172.6	-63.6	172.6	0	0	0	108.8	H294 A312 A361 S368 A370	I291-H294 HydrophobicContact CG2-CB 4.12Å; I291-A312 HydrophobicContact CG1-CB 4.13Å; I291-A361 HydrophobicContact CD1-CB 4.28Å; I291-A361 HydrophobicContact CG1-CB 3.97Å; I291-S368 WeakPolarHBondContact CD1-O 3.2Å; I291-A370 HydrophobicContact CD1-CB 3.59Å; I291-A370 HydrophobicContact CG2-CB 4.16Å
292	T	94.7	Very high	95	Very high	70 Å²	70	71.8 Å²	71.8	43%	0.429	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-29.7	-174.4	60.8	0	0	0	0	113.7	L290 K311 V313	L290-T292 HydrophobicContact CG-CG2 4.48Å; L290-T292 PolarHBondContact O-N 3.34Å; T292-K311 PolarHBondContact N-O 3.08Å; T292-K311 PolarHBondContact OG1-O 2.88Å; T292-V313 HydrophobicContact CG2-CB 4.14Å; T292-V313 HydrophobicContact CG2-CG2 3.73Å
293	Q	93.2	Very high	94.7	Very high	121 Å²	121	66.7 Å²	66.7	57%	0.565	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.9	133.5	179	-55	-178.6	-59.4	0	0	108.2	K311	Q293-K311 HydrophobicContact CB-CB 4.26Å; Q293-K311 PolarHBondContact N-O 2.92Å; Q293-K311 PolarHBondContact O-N 3.38Å
294	H	94.9	Very high	94.4	Very high	60 Å²	60	68.4 Å²	68.4	28%	0.278	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	155.6	169.7	59.7	-83.3	0	0	0	110.8	I291 H296 R309 A370 I372	I291-H294 HydrophobicContact CG2-CB 4.12Å; H294-H296 AromaticContact CD2-CE1 3.91Å; H294-H296 AromaticContact CD2-ND1 3.53Å; H294-H296 AromaticContact CE1-CE1 3.53Å; H294-H296 AromaticContact CE1-ND1 3.86Å; H294-H296 AromaticContact NE2-CE1 3.19Å; H294-H296 PolarHBondContact NE2-CE1 2.98Å; H294-H296 AromaticContact NE2-ND1 3.04Å; H294-H296 PolarHBondContact NE2-ND1 2.77Å; H294-H296 PolarHBondContact O-N 3.44Å; H294-R309 CarbonylContact C-O 3.44Å; H294-R309 WeakPolarHBondContact CA-O 3.25Å; H294-A370 HydrophobicContact CB-CB 4.43Å; H294-I372 HydrophobicContact CB-CD1 4.16Å
295	T	93.9	Very high	94.3	Very high	28 Å²	28	72.1 Å²	72.1	17%	0.172	39%	0.386	C	S	.	.			trans	-66.8	125.2	167.8	-56.7	0	0	0	0	108.7	L298 R309 I372	T295-L298 HydrophobicContact CG2-CB 4.02Å; T295-R309 PolarHBondContact N-O 3.45Å; T295-R309 PolarHBondContact OG1-N 3.25Å; T295-R309 VanDerWaalsContact OG1-N 3.08Å; T295-I372 HydrophobicContact CG2-CG2 4.15Å; T295-I372 VanDerWaalsContact O-CD1 3.24Å; T295-I372 WeakPolarHBondContact O-CD1 3.47Å; T295-I372 WeakPolarHBondContact O-CG1 3.23Å; T295-I372 WeakPolarHBondContact O-CG2 3.36Å
296	H	92.6	Very high	94.2	Very high	138 Å²	138	67.9 Å²	67.9	64%	0.639	36%	0.36	S	S	*	.			trans	-82.3	-47.3	176.9	-69.5	-57.1	0	0	0	112.6	H294 E373	H294-H296 AromaticContact CD2-CE1 3.91Å; H294-H296 AromaticContact CD2-ND1 3.53Å; H294-H296 AromaticContact CE1-CE1 3.53Å; H294-H296 AromaticContact CE1-ND1 3.86Å; H294-H296 AromaticContact NE2-CE1 3.19Å; H294-H296 PolarHBondContact NE2-CE1 2.98Å; H294-H296 AromaticContact NE2-ND1 3.04Å; H294-H296 PolarHBondContact NE2-ND1 2.77Å; H294-H296 PolarHBondContact O-N 3.44Å; H296-E373 PolarHBondContact O-N 2.74Å; H296-E373 VanDerWaalsContact O-N 3.09Å
297	K	94	Very high	94.2	Very high	117 Å²	117	69 Å²	69	51%	0.509	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	141.2	177.7	-176.8	174.9	-170.9	125.5	0	108.8	E373	K297-E373 CarbonylContact C-O 3.6Å; K297-E373 WeakPolarHBondContact CA-O 3.27Å; K297-E373 HydrophobicContact CB-CB 4.45Å; K297-E373 WeakPolarHBondContact CD-OE2 3.36Å; K297-E373 WeakPolarHBondContact CE-OE2 3.28Å; K297-E373 HydrophobicContact CG-CB 4.2Å; K297-E373 IonicContact NZ-OE1 3.96Å; K297-E373 PolarHBondContact NZ-OE1 3.18Å; K297-E373 IonicContact NZ-OE2 3.48Å; K297-E373 PolarHBondContact NZ-OE2 2.89Å
298	L	94.1	Very high	94.1	Very high	41 Å²	41	63 Å²	63	22%	0.215	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.3	174.2	-177.2	59.5	0	0	0	109.9	T295 V300 A306 L308 E373 L374 S375	T295-L298 HydrophobicContact CG2-CB 4.02Å; L298-V300 HydrophobicContact CD1-CG2 4.07Å; L298-V300 HydrophobicContact CD2-CG2 3.98Å; L298-V300 HydrophobicContact CG-CG2 3.77Å; L298-A306 HydrophobicContact CD2-CB 3.86Å; L298-L308 HydrophobicContact CB-CD2 4.11Å; L298-L308 HydrophobicContact CD2-CD2 3.62Å; L298-E373 PolarHBondContact N-O 2.83Å; L298-L374 HydrophobicContact CB-CD1 3.97Å; L298-L374 HydrophobicContact CD2-CD1 4.03Å; L298-L374 HydrophobicContact CG-CD1 3.97Å; L298-S375 PolarHBondContact O-N 3.41Å
299	L	93.9	Very high	94	Very high	107 Å²	107	67 Å²	67	56%	0.56	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.6	112.5	-177.3	-177.2	65.9	0	0	0	108.7	S375 I377	L299-S375 WeakPolarHBondContact CA-O 3.29Å; L299-S375 VanDerWaalsContact CD1-CB 3.44Å; L299-I377 HydrophobicContact CD1-CD1 3.89Å; L299-I377 HydrophobicContact CD1-CG1 3.67Å; L299-I377 HydrophobicContact CD2-CD1 4.02Å; L299-I377 HydrophobicContact CG-CD1 3.8Å; L299-I377 HydrophobicContact CG-CG1 4.12Å
300	V	93.6	Very high	94	Very high	12 Å²	12	66.5 Å²	66.5	7%	0.073	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148	-169.9	170.2	0	0	0	0	110.4	L298 Q304 A306 T349 S375 I376 I377	L298-V300 HydrophobicContact CD1-CG2 4.07Å; L298-V300 HydrophobicContact CD2-CG2 3.98Å; L298-V300 HydrophobicContact CG-CG2 3.77Å; V300-Q304 HydrophobicContact CG1-CB 3.72Å; V300-A306 HydrophobicContact CG1-CB 4.49Å; V300-A306 HydrophobicContact CG2-CB 4.05Å; V300-T349 HydrophobicContact CG1-CG2 3.98Å; V300-S375 PolarHBondContact N-O 3.43Å; V300-I376 CarbonylContact O-C 3.31Å; V300-I376 WeakPolarHBondContact O-CA 3.19Å; V300-I377 PolarHBondContact O-N 3.31Å
301	L	91.8	Very high	93.9	Very high	62 Å²	62	66.2 Å²	66.2	33%	0.325	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	138.4	175	-66.6	155.1	0	0	0	110.2	G303 Q304 T349 I377 L379	L301-G303 PolarHBondContact O-N 2.82Å; L301-Q304 HydrophobicContact CB-CG 4.17Å; L301-Q304 WeakPolarHBondContact O-CB 3.38Å; L301-Q304 PolarHBondContact O-N 3.45Å; L301-T349 PolarHBondContact O-OG1 2.88Å; L301-I377 CarbonylContact C-O 3.5Å; L301-I377 WeakPolarHBondContact CA-O 3.27Å; L301-I377 HydrophobicContact CD2-CB 3.75Å; L301-I377 HydrophobicContact CD2-CD1 4.45Å; L301-I377 HydrophobicContact CD2-CG2 3.65Å; L301-L379 HydrophobicContact CB-CD1 3.94Å; L301-L379 HydrophobicContact CD2-CD1 3.63Å; L301-L379 HydrophobicContact CD2-CG 4.45Å; L301-L379 HydrophobicContact CG-CD1 4.27Å
302	E	92.3	Very high	93.9	Very high	64 Å²	64	65.3 Å²	65.3	30%	0.299	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	127.1	179.9	-172.4	164.9	-146	0	0	110.9	S351 I376 I377 Q378	E302-S351 VanDerWaalsContact OE1-CB 3.22Å; E302-S351 WeakPolarHBondContact OE1-CB 3.36Å; E302-S351 PolarHBondContact OE1-N 2.81Å; E302-S351 PolarHBondContact OE1-OG 2.79Å; E302-I376 HydrophobicContact CB-CG2 3.9Å; E302-I376 HydrophobicContact CG-CG2 4.49Å; E302-I377 PolarHBondContact N-O 3.32Å; E302-Q378 WeakPolarHBondContact OE2-CG 3.39Å; E302-Q378 PolarHBondContact OE2-NE2 3.43Å
303	G	88.7	Confident	93.9	Very high	46 Å²	46	65.7 Å²	65.7	47%	0.474	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	95	-10.3	-173.8	0	0	0	0	0	115.8	L301 T349	L301-G303 PolarHBondContact O-N 2.82Å; G303-T349 PolarHBondContact N-O 3.17Å; G303-T349 PolarHBondContact N-OG1 2.93Å
304	Q	91.9	Very high	94.1	Very high	100 Å²	100	60.8 Å²	60.8	47%	0.467	32%	0.315	S	S	.	.	S	Bend	trans	-87	164.4	172.4	-68.7	-176	-32.2	0	0	112.5	V300 L301 T349	V300-Q304 HydrophobicContact CG1-CB 3.72Å; L301-Q304 HydrophobicContact CB-CG 4.17Å; L301-Q304 WeakPolarHBondContact O-CB 3.38Å; L301-Q304 PolarHBondContact O-N 3.45Å; Q304-T349 WeakPolarHBondContact O-CB 3.46Å; Q304-T349 WeakPolarHBondContact O-CG2 3.25Å; Q304-T349 PolarHBondContact O-N 2.87Å; Q304-T349 PolarHBondContact O-OG1 3.34Å
305	T	93.8	Very high	94.1	Very high	84 Å²	84	59 Å²	59	52%	0.515	31%	0.307	S	S	.	.			trans	-71.2	135.5	171.3	-51.9	0	0	0	0	111.2	I346 A347	T305-I346 CarbonylContact C-O 3.59Å; T305-I346 VanDerWaalsContact CA-O 3.25Å; T305-I346 WeakPolarHBondContact CA-O 3.47Å; T305-A347 PolarHBondContact OG1-O 3.39Å
306	A	94.6	Very high	94.2	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.008	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.6	166.5	0	0	0	0	0	110.5	L298 V300 D345 I346 T349 L374	L298-A306 HydrophobicContact CD2-CB 3.86Å; V300-A306 HydrophobicContact CG1-CB 4.49Å; V300-A306 HydrophobicContact CG2-CB 4.05Å; A306-D345 CarbonylContact O-C 3.15Å; A306-D345 WeakPolarHBondContact O-CA 3.35Å; A306-I346 HydrophobicContact CB-CB 4.48Å; A306-I346 PolarHBondContact N-O 3.31Å; A306-I346 PolarHBondContact O-N 2.52Å; A306-T349 HydrophobicContact CB-CG2 3.49Å; A306-T349 VanDerWaalsContact CB-CG2 3.49Å; A306-L374 HydrophobicContact CB-CD1 4.13Å; A306-L374 HydrophobicContact CB-CD2 4.24Å
307	S	95.6	Very high	94.3	Very high	41 Å²	41	58.5 Å²	58.5	29%	0.287	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	111.2	177.6	-172.7	0	0	0	0	110.6	T343 D345	S307-T343 WeakPolarHBondContact OG-CG2 3.31Å; S307-D345 VanDerWaalsContact CA-OD1 3.31Å; S307-D345 WeakPolarHBondContact CA-OD1 3.44Å; S307-D345 WeakPolarHBondContact CB-OD1 3.27Å; S307-D345 PolarHBondContact OG-OD1 2.89Å
308	L	95.7	Very high	94.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	110	-179.4	-55.5	-179.3	0	0	0	108.7	L298 W322 T343 L344 F357 I372	L298-L308 HydrophobicContact CB-CD2 4.11Å; L298-L308 HydrophobicContact CD2-CD2 3.62Å; L308-W322 HydrophobicContact CB-CH2 3.48Å; L308-W322 VanDerWaalsContact CB-CH2 3.48Å; L308-W322 HydrophobicContact CB-CZ2 4.2Å; L308-W322 HydrophobicContact CB-CZ3 3.77Å; L308-W322 HydrophobicContact CD1-CZ3 4.1Å; L308-W322 WeakPolarHBondContact O-CH2 3.24Å; L308-W322 WeakPolarHBondContact O-CZ2 3.41Å; L308-T343 CarbonylContact O-C 3.57Å; L308-T343 WeakPolarHBondContact O-CA 3.42Å; L308-T343 WeakPolarHBondContact O-CG2 3.41Å; L308-L344 HydrophobicContact CB-CB 4.43Å; L308-L344 HydrophobicContact CD1-CD2 4.24Å; L308-L344 PolarHBondContact N-O 3.02Å; L308-L344 PolarHBondContact O-N 3.21Å; L308-F357 HydrophobicContact CD1-CB 3.94Å; L308-F357 HydrophobicContact CD1-CD1 3.91Å; L308-F357 HydrophobicContact CD1-CD2 3.92Å; L308-F357 HydrophobicContact CD1-CE1 4.42Å; L308-F357 HydrophobicContact CD1-CE2 4.45Å; L308-F357 HydrophobicContact CD1-CG 3.64Å; L308-I372 HydrophobicContact CD2-CG2 3.96Å
309	R	95.2	Very high	94.5	Very high	166 Å²	166	54.9 Å²	54.9	63%	0.626	30%	0.296	S	S	*	.			trans	-91.3	138.8	-178.8	-62.7	179.2	-173.2	168.9	4.3	109.7	H294 T295 T343	H294-R309 CarbonylContact C-O 3.44Å; H294-R309 WeakPolarHBondContact CA-O 3.25Å; T295-R309 PolarHBondContact N-O 3.45Å; T295-R309 PolarHBondContact OG1-N 3.25Å; T295-R309 VanDerWaalsContact OG1-N 3.08Å; R309-T343 HydrophobicContact CG-CG2 3.97Å
310	C	95.8	Very high	94.5	Very high	2 Å²	2	51 Å²	51	1%	0.014	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	129.2	168.1	-170.8	0	0	0	0	109.7	V320 W322 G342 C359	C310-V320 HydrophobicContact CB-CG1 4.33Å; C310-W322 HydrophobicContact CB-CH2 3.89Å; C310-W322 HydrophobicContact CB-CZ2 3.49Å; C310-W322 VanDerWaalsContact CB-CZ2 3.49Å; C310-G342 CarbonylContact O-C 3.26Å; C310-G342 WeakPolarHBondContact O-CA 2.99Å; C310-C359 HydrophobicContact CB-CB 3.61Å; C310-C359 WeakPolarHBondContact CB-SG 3.38Å; C310-C359 WeakPolarHBondContact SG-CB 3.5Å; C310-C359 CovalentContact SG-SG 2.02Å; C310-C359 PolarHBondContact SG-SG 2.97Å
311	K	95.5	Very high	94.6	Very high	107 Å²	107	55.6 Å²	55.6	47%	0.465	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	111.8	-175.8	-173.4	-176.7	-177.4	176.8	0	111.2	T292 Q293	T292-K311 PolarHBondContact N-O 3.08Å; T292-K311 PolarHBondContact OG1-O 2.88Å; Q293-K311 HydrophobicContact CB-CB 4.26Å; Q293-K311 PolarHBondContact N-O 2.92Å; Q293-K311 PolarHBondContact O-N 3.38Å
312	A	95.9	Very high	94.8	Very high	4 Å²	4	52.7 Å²	52.7	3%	0.033	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	162.3	176.1	0	0	0	0	0	112.9	L290 I291 P318 A361	L290-A312 CarbonylContact O-C 3.42Å; L290-A312 VanDerWaalsContact O-CA 3.23Å; L290-A312 WeakPolarHBondContact O-CA 3.34Å; I291-A312 HydrophobicContact CG1-CB 4.13Å; A312-P318 HydrophobicContact CB-CB 4.41Å; A312-P318 HydrophobicContact CB-CG 3.57Å; A312-A361 HydrophobicContact CB-CB 3.4Å
313	V	95.8	Very high	95	Very high	78 Å²	78	50.6 Å²	50.6	47%	0.473	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.8	173.1	179.4	0	0	0	0	107.9	P289 L290 T292	P289-V313 WeakPolarHBondContact CA-O 3.37Å; L290-V313 PolarHBondContact N-O 3.36Å; L290-V313 PolarHBondContact O-N 3.19Å; T292-V313 HydrophobicContact CG2-CB 4.14Å; T292-V313 HydrophobicContact CG2-CG2 3.73Å
314	G	95.8	Very high	95.3	Very high	18 Å²	18	49.1 Å²	49.1	19%	0.186	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.8	176.1	177.9	0	0	0	0	0	110.5	P316 M317	G314-P316 CarbonylContact C-O 3.44Å; G314-P316 VanDerWaalsContact C-O 3.24Å; G314-P316 CarbonylContact O-C 3.47Å; G314-P316 VanDerWaalsContact O-C 3.31Å; G314-M317 PolarHBondContact O-N 2.94Å
315	D	96.6	Very high	95.3	Very high	22 Å²	22	46.8 Å²	46.8	12%	0.118	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	109.7	175.1	-172.6	-20.8	0	0	0	108.6	H245 N247 C286 E287	H245-D315 IonicContact CE1-OD1 2.71Å; H245-D315 PolarHBondContact CE1-OD1 3.33Å; H245-D315 IonicContact CE1-OD2 2.87Å; H245-D315 PolarHBondContact CE1-OD2 2.91Å; H245-D315 IonicContact NE2-OD1 3.24Å; H245-D315 PolarHBondContact NE2-OD1 3.05Å; N247-D315 VanDerWaalsContact CB-OD1 3.26Å; N247-D315 WeakPolarHBondContact CB-OD1 3.28Å; N247-D315 PolarHBondContact ND2-OD1 2.99Å; C286-D315 CarbonylContact C-O 3.46Å; C286-D315 VanDerWaalsContact CA-O 3.27Å; C286-D315 WeakPolarHBondContact CA-O 3.42Å; C286-D315 WeakPolarHBondContact CB-O 3.48Å; E287-D315 HydrophobicContact CB-CB 3.98Å; E287-D315 HydrophobicContact CG-CB 4.18Å; E287-D315 PolarHBondContact N-O 2.86Å; E287-D315 PolarHBondContact O-N 3.48Å; E287-D315 VanDerWaalsContact O-N 3.08Å; E287-D315 VanDerWaalsContact O-O 3.13Å
316	P	96.3	Very high	95.2	Very high	14 Å²	14	47.1 Å²	47.1	9%	0.091	25%	0.249	C	C	.	.	S	Bend	cis	-70.5	167.6	-0.9	32.7	-38.6	0	0	0	112.5	E249 G314 N363 A364	E249-P316 HydrophobicContact CG-CG 4.06Å; E249-P316 VanDerWaalsContact OE2-CB 3.32Å; E249-P316 WeakPolarHBondContact OE2-CB 3.49Å; E249-P316 WeakPolarHBondContact OE2-CG 3.39Å; G314-P316 CarbonylContact C-O 3.44Å; G314-P316 VanDerWaalsContact C-O 3.24Å; G314-P316 CarbonylContact O-C 3.47Å; G314-P316 VanDerWaalsContact O-C 3.31Å; P316-N363 HydrophobicContact CG-CB 4.13Å; P316-N363 WeakPolarHBondContact O-CB 3.38Å; P316-N363 PolarHBondContact O-ND2 3.29Å; P316-A364 HydrophobicContact CG-CB 4.15Å
317	M	94.3	Very high	95	Very high	142 Å²	142	54.3 Å²	54.3	70%	0.7	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-53.2	120.8	176.5	-175.4	69	-175.5	0	0	110.8	G314	G314-M317 PolarHBondContact O-N 2.94Å
318	P	96.2	Very high	94.8	Very high	11 Å²	11	60.2 Å²	60.2	7%	0.071	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-75.3	144.6	-172.1	28.2	-35.2	0	0	0	113.5	P289 A312 A361 A362 N363	P289-P318 HydrophobicContact CB-CB 3.9Å; P289-P318 HydrophobicContact CB-CG 4.18Å; A312-P318 HydrophobicContact CB-CB 4.41Å; A312-P318 HydrophobicContact CB-CG 3.57Å; P318-A361 HydrophobicContact CB-CB 4.44Å; P318-A362 CarbonylContact C-O 3.16Å; P318-A362 VanDerWaalsContact CA-O 3.3Å; P318-A362 WeakPolarHBondContact CA-O 3.33Å; P318-A362 WeakPolarHBondContact CB-O 3.38Å; P318-N363 HydrophobicContact CB-CB 4.11Å
319	T	94.8	Very high	94.7	Very high	72 Å²	72	66.5 Å²	66.5	44%	0.442	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	142.1	169	59.7	0	0	0	0	110.2	H321 A361 A362	T319-H321 WeakPolarHBondContact CB-NE2 3.25Å; T319-H321 PolarHBondContact OG1-NE2 3.46Å; T319-A361 CarbonylContact O-C 3.57Å; T319-A361 WeakPolarHBondContact O-CA 3.34Å; T319-A362 PolarHBondContact N-O 2.89Å; T319-A362 PolarHBondContact O-N 2.88Å; T319-A362 PolarHBondContact OG1-O 2.87Å
320	V	95.5	Very high	94.5	Very high	25 Å²	25	60.2 Å²	60.2	15%	0.152	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.7	179.8	174.1	0	0	0	0	109.9	C310 I360 A361	C310-V320 HydrophobicContact CB-CG1 4.33Å; V320-I360 WeakPolarHBondContact CA-O 3.14Å; V320-A361 HydrophobicContact CG2-CB 4.4Å
321	H	95.2	Very high	94.2	Very high	109 Å²	109	62.4 Å²	62.4	51%	0.505	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	156.2	175.3	-55.8	-76.3	0	0	0	109.5	T319 L329 I360	T319-H321 WeakPolarHBondContact CB-NE2 3.25Å; T319-H321 PolarHBondContact OG1-NE2 3.46Å; H321-L329 HydrophobicContact CB-CD2 4.33Å; H321-I360 HydrophobicContact CB-CB 4.48Å; H321-I360 PolarHBondContact N-O 2.94Å; H321-I360 PolarHBondContact O-N 3.1Å
322	W	96.1	Very high	93.9	Very high	1 Å²	1	62.9 Å²	62.9	0%	0.004	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.7	-175.5	-75.6	91.1	0	0	0	111.2	L308 C310 L329 I330 G342 L344 F357 C359 I372	L308-W322 HydrophobicContact CB-CH2 3.48Å; L308-W322 VanDerWaalsContact CB-CH2 3.48Å; L308-W322 HydrophobicContact CB-CZ2 4.2Å; L308-W322 HydrophobicContact CB-CZ3 3.77Å; L308-W322 HydrophobicContact CD1-CZ3 4.1Å; L308-W322 WeakPolarHBondContact O-CH2 3.24Å; L308-W322 WeakPolarHBondContact O-CZ2 3.41Å; C310-W322 HydrophobicContact CB-CH2 3.89Å; C310-W322 HydrophobicContact CB-CZ2 3.49Å; C310-W322 VanDerWaalsContact CB-CZ2 3.49Å; W322-L329 CarbonylContact O-C 3.54Å; W322-L329 WeakPolarHBondContact O-CA 3.41Å; W322-I330 HydrophobicContact CB-CB 4.11Å; W322-I330 HydrophobicContact CB-CD1 4.22Å; W322-I330 HydrophobicContact CB-CG1 4.49Å; W322-I330 PolarHBondContact O-N 2.92Å; W322-G342 VanDerWaalsContact CZ2-O 3.32Å; W322-G342 WeakPolarHBondContact CZ2-O 3.36Å; W322-G342 PolarHBondContact NE1-O 2.97Å; W322-L344 HydrophobicContact CB-CD2 3.87Å; W322-L344 HydrophobicContact CD2-CB 3.66Å; W322-L344 HydrophobicContact CD2-CD2 3.72Å; W322-L344 HydrophobicContact CD2-CG 4.35Å; W322-L344 HydrophobicContact CE3-CB 4.26Å; W322-L344 HydrophobicContact CE3-CD2 3.77Å; W322-L344 HydrophobicContact CG-CB 3.85Å; W322-L344 HydrophobicContact CG-CD2 3.78Å; W322-L344 HydrophobicContact CG-CG 4.42Å; W322-L344 HydrophobicContact CZ2-CB 4Å; W322-F357 HydrophobicContact CE3-CB 4.38Å; W322-F357 HydrophobicContact CZ3-CB 4.32Å; W322-C359 HydrophobicContact CE3-CB 4.31Å; W322-C359 HydrophobicContact CH2-CB 4.12Å; W322-C359 HydrophobicContact CZ2-CB 4.33Å; W322-C359 HydrophobicContact CZ3-CB 4.11Å; W322-I372 HydrophobicContact CH2-CD1 3.55Å; W322-I372 HydrophobicContact CZ3-CD1 3.71Å
323	V	96.2	Very high	93.7	Very high	19 Å²	19	65.8 Å²	65.8	12%	0.115	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.6	175.6	-178.1	0	0	0	0	109.2	R328 L329 F357 T358 I360	V323-R328 WeakPolarHBondContact CA-O 3.44Å; V323-L329 HydrophobicContact CG2-CD2 3.91Å; V323-F357 WeakPolarHBondContact O-CA 3.34Å; V323-T358 PolarHBondContact N-O 2.84Å; V323-T358 PolarHBondContact O-N 3.06Å; V323-I360 HydrophobicContact CG2-CD1 3.61Å; V323-I360 HydrophobicContact CG2-CG1 4.27Å
324	A	93.8	Very high	93.3	Very high	15 Å²	15	68.4 Å²	68.4	12%	0.124	39%	0.387	C	S	.	.			trans	-76.3	165.1	176.9	0	0	0	0	0	112.2	D326 D327 R328 I330 F357	A324-D326 VanDerWaalsContact CB-OD1 3.28Å; A324-D326 WeakPolarHBondContact CB-OD1 3.46Å; A324-D326 PolarHBondContact O-N 2.99Å; A324-D327 PolarHBondContact O-N 3.47Å; A324-R328 PolarHBondContact N-O 3.31Å; A324-I330 HydrophobicContact CB-CD1 3.88Å; A324-I330 HydrophobicContact CB-CG1 3.94Å; A324-F357 HydrophobicContact CB-CE1 4.41Å
325	P	92.8	Very high	93.1	Very high	52 Å²	52	71.9 Å²	71.9	34%	0.338	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-7	175.6	-22.3	32.8	0	0	0	115.9	I356 F357	P325-I356 WeakPolarHBondContact CA-O 3.41Å; P325-F357 HydrophobicContact CG-CD2 3.98Å; P325-F357 HydrophobicContact CG-CE2 3.73Å; P325-F357 HydrophobicContact CG-CZ 4.15Å
326	D	90.9	Very high	92.9	Very high	90 Å²	90	71 Å²	71	48%	0.481	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	23.8	173.2	69.3	-14.6	0	0	0	113.2	A324 R328	A324-D326 VanDerWaalsContact CB-OD1 3.28Å; A324-D326 WeakPolarHBondContact CB-OD1 3.46Å; A324-D326 PolarHBondContact O-N 2.99Å; D326-R328 PolarHBondContact O-N 2.87Å; D326-R328 WeakPolarHBondContact OD1-CB 3.19Å; D326-R328 VanDerWaalsContact OD2-CD 3.26Å; D326-R328 WeakPolarHBondContact OD2-CD 3.28Å; D326-R328 IonicContact OD2-NH1 3.92Å; D326-R328 PolarHBondContact OD2-NH1 2.96Å
327	D	91.1	Very high	92.8	Very high	152 Å²	152	72.7 Å²	72.7	81%	0.813	40%	0.401	S	S	*	.	S	Bend	trans	59	19.4	-178.8	-67.4	-42.5	0	0	0	115	A324	A324-D327 PolarHBondContact O-N 3.47Å
328	R	91.6	Very high	92.8	Very high	166 Å²	166	67.3 Å²	67.3	63%	0.626	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-99.7	135.4	-179	-68	170.2	66.3	-140.9	-3.4	112.6	V323 A324 D326 I330	V323-R328 WeakPolarHBondContact CA-O 3.44Å; A324-R328 PolarHBondContact N-O 3.31Å; D326-R328 PolarHBondContact O-N 2.87Å; D326-R328 WeakPolarHBondContact OD1-CB 3.19Å; D326-R328 VanDerWaalsContact OD2-CD 3.26Å; D326-R328 WeakPolarHBondContact OD2-CD 3.28Å; D326-R328 IonicContact OD2-NH1 3.92Å; D326-R328 PolarHBondContact OD2-NH1 2.96Å; R328-I330 PolarHBondContact O-N 3.02Å
329	L	92.8	Very high	92.6	Very high	131 Å²	131	72 Å²	72	69%	0.686	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	133	169.7	-76.1	165.2	0	0	0	110.9	H321 W322 V323	H321-L329 HydrophobicContact CB-CD2 4.33Å; W322-L329 CarbonylContact O-C 3.54Å; W322-L329 WeakPolarHBondContact O-CA 3.41Å; V323-L329 HydrophobicContact CG2-CD2 3.91Å
330	I	92.6	Very high	92.2	Very high	34 Å²	34	78.7 Å²	78.7	17%	0.174	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	117.1	179.1	-56.1	175.1	0	0	0	108.4	W322 A324 R328 A336 V338 L344 F357	W322-I330 HydrophobicContact CB-CB 4.11Å; W322-I330 HydrophobicContact CB-CD1 4.22Å; W322-I330 HydrophobicContact CB-CG1 4.49Å; W322-I330 PolarHBondContact O-N 2.92Å; A324-I330 HydrophobicContact CB-CD1 3.88Å; A324-I330 HydrophobicContact CB-CG1 3.94Å; R328-I330 PolarHBondContact O-N 3.02Å; I330-A336 HydrophobicContact CG2-CB 3.93Å; I330-V338 HydrophobicContact CG2-CG2 4.48Å; I330-L344 HydrophobicContact CD1-CD2 3.54Å; I330-L344 HydrophobicContact CG2-CD1 3.91Å; I330-L344 HydrophobicContact CG2-CD2 4.4Å; I330-F357 HydrophobicContact CD1-CD1 3.69Å; I330-F357 HydrophobicContact CD1-CE1 3.59Å
331	G	88.9	Confident	91.9	Very high	48 Å²	48	82.4 Å²	82.4	50%	0.495	44%	0.438	S	S	.	.			trans	-110.9	170.3	169.7	0	0	0	0	0	111.9	S333	G331-S333 PolarHBondContact O-N 2.69Å
332	N	90.2	Very high	91.7	Very high	118 Å²	118	77.3 Å²	77.3	63%	0.631	42%	0.415	S	S	*	.	S	Bend	trans	-60.3	129.4	180	-70.9	-12.7	0	0	0	111.6	V338	N332-V338 PolarHBondContact OD1-N 2.94Å; N332-V338 PolarHBondContact OD1-O 3.34Å
333	S	90.9	Very high	91.7	Very high	64 Å²	64	78 Å²	78	45%	0.448	42%	0.42	S	S	.	.			trans	-153.1	173	-172	65.4	0	0	0	0	110.6	G331 R335 A336	G331-S333 PolarHBondContact O-N 2.69Å; S333-R335 PolarHBondContact O-N 3.03Å; S333-R335 PolarHBondContact OG-N 2.85Å; S333-A336 PolarHBondContact N-O 2.86Å; S333-A336 PolarHBondContact OG-N 2.84Å; S333-A336 PolarHBondContact OG-O 3.19Å; S333-A336 VanDerWaalsContact OG-O 3.08Å
334	S	87.5	Confident	91.6	Very high	134 Å²	134	77.1 Å²	77.1	94%	0.937	41%	0.414	S	S	*	.	S	Bend	trans	-66	-5.1	176.1	54.8	0	0	0	0	115.1
335	R	90.7	Very high	91.7	Very high	90 Å²	90	78.2 Å²	78.2	34%	0.34	42%	0.418	S	S	.	.	S	Bend	trans	-125	-23.9	-177.3	-162.4	-174.8	73.4	97.7	-5.1	113.8	S333 I346 A347 V348 D353	S333-R335 PolarHBondContact O-N 3.03Å; S333-R335 PolarHBondContact OG-N 2.85Å; R335-I346 CarbonylContact O-C 3.42Å; R335-I346 WeakPolarHBondContact O-CA 3.42Å; R335-A347 PolarHBondContact O-N 2.95Å; R335-V348 PolarHBondContact NH1-O 3.29Å; R335-V348 VanDerWaalsContact NH1-O 3.17Å; R335-D353 IonicContact CZ-OD1 2.69Å; R335-D353 VanDerWaalsContact CZ-OD1 3.25Å; R335-D353 IonicContact CZ-OD2 3.15Å; R335-D353 IonicContact NH1-OD1 3.55Å; R335-D353 PolarHBondContact NH1-OD1 3Å; R335-D353 IonicContact NH1-OD2 3.22Å; R335-D353 PolarHBondContact NH1-OD2 3Å; R335-D353 IonicContact NH2-OD1 2.78Å; R335-D353 PolarHBondContact NH2-OD1 2.83Å; R335-D353 IonicContact NH2-OD2 2.78Å
336	A	92.3	Very high	91.8	Very high	5 Å²	5	75.9 Å²	75.9	4%	0.041	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	131.5	-176.1	0	0	0	0	0	110.6	I330 S333 L344 D345 I346	I330-A336 HydrophobicContact CG2-CB 3.93Å; S333-A336 PolarHBondContact N-O 2.86Å; S333-A336 PolarHBondContact OG-N 2.84Å; S333-A336 PolarHBondContact OG-O 3.19Å; S333-A336 VanDerWaalsContact OG-O 3.08Å; A336-L344 HydrophobicContact CB-CD1 4.08Å; A336-D345 CarbonylContact C-O 3.41Å; A336-D345 VanDerWaalsContact CA-O 3.32Å; A336-D345 WeakPolarHBondContact CA-O 3.46Å; A336-I346 HydrophobicContact CB-CG1 4.48Å
337	T	94.3	Very high	91.9	Very high	49 Å²	49	74 Å²	74	30%	0.301	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.7	-177.2	-56.8	0	0	0	0	109.5	Y339 L344 D345	T337-Y339 HydrophobicContact CG2-CD2 4.32Å; T337-Y339 HydrophobicContact CG2-CE1 4.17Å; T337-Y339 HydrophobicContact CG2-CE2 3.88Å; T337-L344 WeakPolarHBondContact O-CA 3.34Å; T337-D345 PolarHBondContact N-O 3.36Å; T337-D345 PolarHBondContact O-N 2.94Å
338	V	93.9	Very high	91.9	Very high	28 Å²	28	70.3 Å²	70.3	17%	0.17	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.9	171	-177.5	0	0	0	0	108.6	I330 N332 T343 L344	I330-V338 HydrophobicContact CG2-CG2 4.48Å; N332-V338 PolarHBondContact OD1-N 2.94Å; N332-V338 PolarHBondContact OD1-O 3.34Å; V338-T343 WeakPolarHBondContact CA-O 3.01Å; V338-L344 HydrophobicContact CG2-CD1 4.11Å
339	Y	92.4	Very high	91.9	Very high	110 Å²	110	62.4 Å²	62.4	43%	0.431	35%	0.353	S	S	.	.			trans	-96.9	152.5	-179.8	-67.2	-86.1	0	0	0	111.7	T337 N341 G342 T343 D345	T337-Y339 HydrophobicContact CG2-CD2 4.32Å; T337-Y339 HydrophobicContact CG2-CE1 4.17Å; T337-Y339 HydrophobicContact CG2-CE2 3.88Å; Y339-N341 WeakPolarHBondContact CB-OD1 3.31Å; Y339-N341 PolarHBondContact O-N 2.99Å; Y339-G342 PolarHBondContact O-N 2.93Å; Y339-T343 PolarHBondContact N-O 3.02Å; Y339-D345 HydrophobicContact CE2-CB 4.03Å
340	E	87.3	Confident	91.8	Very high	213 Å²	213	58.4 Å²	58.4	100%	0.995	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-22.7	175.5	-62	-177.2	164.3	0	0	113.7	G342	E340-G342 PolarHBondContact O-N 3.22Å
341	N	89.3	Confident	91.6	Very high	103 Å²	103	59.8 Å²	59.8	55%	0.551	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	0.7	174.7	71.8	16.1	0	0	0	114	Y339 T343	Y339-N341 WeakPolarHBondContact CB-OD1 3.31Å; Y339-N341 PolarHBondContact O-N 2.99Å; N341-T343 WeakPolarHBondContact OD1-CB 3.4Å; N341-T343 PolarHBondContact OD1-N 3.41Å; N341-T343 PolarHBondContact OD1-OG1 3.46Å
342	G	91.3	Very high	91.5	Very high	2 Å²	2	66.6 Å²	66.6	2%	0.021	36%	0.362	C	S	.	.	S	Bend	trans	86.5	1.8	-179.4	0	0	0	0	0	115.7	C310 W322 Y339 E340	C310-G342 CarbonylContact O-C 3.26Å; C310-G342 WeakPolarHBondContact O-CA 2.99Å; W322-G342 VanDerWaalsContact CZ2-O 3.32Å; W322-G342 WeakPolarHBondContact CZ2-O 3.36Å; W322-G342 PolarHBondContact NE1-O 2.97Å; Y339-G342 PolarHBondContact O-N 2.93Å; E340-G342 PolarHBondContact O-N 3.22Å
343	T	94.4	Very high	91.5	Very high	16 Å²	16	61.5 Å²	61.5	10%	0.098	34%	0.335	C	S	.	.			trans	-79	140.8	177	-49.7	0	0	0	0	111.3	S307 L308 R309 V338 Y339 N341 D345	S307-T343 WeakPolarHBondContact OG-CG2 3.31Å; L308-T343 CarbonylContact O-C 3.57Å; L308-T343 WeakPolarHBondContact O-CA 3.42Å; L308-T343 WeakPolarHBondContact O-CG2 3.41Å; R309-T343 HydrophobicContact CG-CG2 3.97Å; V338-T343 WeakPolarHBondContact CA-O 3.01Å; Y339-T343 PolarHBondContact N-O 3.02Å; N341-T343 WeakPolarHBondContact OD1-CB 3.4Å; N341-T343 PolarHBondContact OD1-N 3.41Å; N341-T343 PolarHBondContact OD1-OG1 3.46Å; T343-D345 WeakPolarHBondContact CG2-OD1 3.08Å
344	L	95.7	Very high	91.6	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	117.1	168.4	161.5	61	0	0	0	109.3	L308 W322 I330 A336 T337 V338 I346 F357	L308-L344 HydrophobicContact CB-CB 4.43Å; L308-L344 HydrophobicContact CD1-CD2 4.24Å; L308-L344 PolarHBondContact N-O 3.02Å; L308-L344 PolarHBondContact O-N 3.21Å; W322-L344 HydrophobicContact CB-CD2 3.87Å; W322-L344 HydrophobicContact CD2-CB 3.66Å; W322-L344 HydrophobicContact CD2-CD2 3.72Å; W322-L344 HydrophobicContact CD2-CG 4.35Å; W322-L344 HydrophobicContact CE3-CB 4.26Å; W322-L344 HydrophobicContact CE3-CD2 3.77Å; W322-L344 HydrophobicContact CG-CB 3.85Å; W322-L344 HydrophobicContact CG-CD2 3.78Å; W322-L344 HydrophobicContact CG-CG 4.42Å; W322-L344 HydrophobicContact CZ2-CB 4Å; I330-L344 HydrophobicContact CD1-CD2 3.54Å; I330-L344 HydrophobicContact CG2-CD1 3.91Å; I330-L344 HydrophobicContact CG2-CD2 4.4Å; A336-L344 HydrophobicContact CB-CD1 4.08Å; T337-L344 WeakPolarHBondContact O-CA 3.34Å; V338-L344 HydrophobicContact CG2-CD1 4.11Å; L344-I346 HydrophobicContact CD1-CG1 4.2Å; L344-I346 HydrophobicContact CG-CG1 4.29Å; L344-F357 HydrophobicContact CD2-CD1 4.13Å; L344-F357 HydrophobicContact CD2-CE1 4.39Å
345	D	95.3	Very high	91.9	Very high	38 Å²	38	59.6 Å²	59.6	20%	0.203	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.7	170.5	-72	-5.7	0	0	0	110.5	A306 S307 A336 T337 Y339 T343	A306-D345 CarbonylContact O-C 3.15Å; A306-D345 WeakPolarHBondContact O-CA 3.35Å; S307-D345 VanDerWaalsContact CA-OD1 3.31Å; S307-D345 WeakPolarHBondContact CA-OD1 3.44Å; S307-D345 WeakPolarHBondContact CB-OD1 3.27Å; S307-D345 PolarHBondContact OG-OD1 2.89Å; A336-D345 CarbonylContact C-O 3.41Å; A336-D345 VanDerWaalsContact CA-O 3.32Å; A336-D345 WeakPolarHBondContact CA-O 3.46Å; T337-D345 PolarHBondContact N-O 3.36Å; T337-D345 PolarHBondContact O-N 2.94Å; Y339-D345 HydrophobicContact CE2-CB 4.03Å; T343-D345 WeakPolarHBondContact CG2-OD1 3.08Å
346	I	94.8	Very high	92.1	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	102.9	173.2	-57.4	172.6	0	0	0	107	T305 A306 R335 A336 L344 V348 T349 F357 L374	T305-I346 CarbonylContact C-O 3.59Å; T305-I346 VanDerWaalsContact CA-O 3.25Å; T305-I346 WeakPolarHBondContact CA-O 3.47Å; A306-I346 HydrophobicContact CB-CB 4.48Å; A306-I346 PolarHBondContact N-O 3.31Å; A306-I346 PolarHBondContact O-N 2.52Å; R335-I346 CarbonylContact O-C 3.42Å; R335-I346 WeakPolarHBondContact O-CA 3.42Å; A336-I346 HydrophobicContact CB-CG1 4.48Å; L344-I346 HydrophobicContact CD1-CG1 4.2Å; L344-I346 HydrophobicContact CG-CG1 4.29Å; I346-V348 VanDerWaalsContact C-N 3.31Å; I346-V348 PolarHBondContact O-N 2.93Å; I346-T349 HydrophobicContact CG2-CG2 4.37Å; I346-F357 HydrophobicContact CD1-CE1 3.76Å; I346-F357 HydrophobicContact CD1-CZ 3.66Å; I346-L374 HydrophobicContact CD1-CD2 4.3Å
347	A	92.3	Very high	92.3	Very high	50 Å²	50	59.8 Å²	59.8	41%	0.413	31%	0.309	S	S	.	.	S	Bend	trans	-64.4	-30.5	-169.4	0	0	0	0	0	114.2	T305 R335	T305-A347 PolarHBondContact OG1-O 3.39Å; R335-A347 PolarHBondContact O-N 2.95Å
348	V	91.3	Very high	92.5	Very high	75 Å²	75	59 Å²	59	46%	0.455	31%	0.305	S	S	.	.	S	Bend	trans	-137.5	105.9	173.7	-174.6	0	0	0	0	108.1	R335 I346	R335-V348 PolarHBondContact NH1-O 3.29Å; R335-V348 VanDerWaalsContact NH1-O 3.17Å; I346-V348 VanDerWaalsContact C-N 3.31Å; I346-V348 PolarHBondContact O-N 2.93Å
349	T	92.1	Very high	92.6	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.006	30%	0.297	C	S	.	.			trans	-71.4	143.8	172.4	51.2	0	0	0	0	111.6	V300 L301 G303 Q304 A306 I346	V300-T349 HydrophobicContact CG1-CG2 3.98Å; L301-T349 PolarHBondContact O-OG1 2.88Å; G303-T349 PolarHBondContact N-O 3.17Å; G303-T349 PolarHBondContact N-OG1 2.93Å; Q304-T349 WeakPolarHBondContact O-CB 3.46Å; Q304-T349 WeakPolarHBondContact O-CG2 3.25Å; Q304-T349 PolarHBondContact O-N 2.87Å; Q304-T349 PolarHBondContact O-OG1 3.34Å; A306-T349 HydrophobicContact CB-CG2 3.49Å; A306-T349 VanDerWaalsContact CB-CG2 3.49Å; I346-T349 HydrophobicContact CG2-CG2 4.37Å
350	T	90.6	Very high	92.8	Very high	47 Å²	47	54 Å²	54	29%	0.288	28%	0.284	S	S	.	.			trans	-131.1	156.6	174.9	69.4	0	0	0	0	109.1	K352 D353 I376	T350-K352 PolarHBondContact O-N 3.32Å; T350-K352 PolarHBondContact OG1-N 2.87Å; T350-D353 WeakPolarHBondContact CA-OD2 3.39Å; T350-D353 WeakPolarHBondContact CB-OD2 3.45Å; T350-D353 PolarHBondContact N-OD2 3.08Å; T350-D353 WeakPolarHBondContact O-CB 3.41Å; T350-D353 PolarHBondContact O-N 2.73Å; T350-D353 VanDerWaalsContact O-OD2 3.13Å; T350-D353 PolarHBondContact OG1-OD2 3.27Å; T350-I376 WeakPolarHBondContact O-CD1 3.31Å
351	S	87.7	Confident	93.2	Very high	63 Å²	63	43.9 Å²	43.9	44%	0.441	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-10.5	174.3	36.8	0	0	0	0	115.3	E302	E302-S351 VanDerWaalsContact OE1-CB 3.22Å; E302-S351 WeakPolarHBondContact OE1-CB 3.36Å; E302-S351 PolarHBondContact OE1-N 2.81Å; E302-S351 PolarHBondContact OE1-OG 2.79Å
352	K	87.4	Confident	93.6	Very high	190 Å²	190	40.2 Å²	40.2	83%	0.826	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-19.7	170	-63.2	-176.5	179.9	-179.7	0	114.3	T350 Y354	T350-K352 PolarHBondContact O-N 3.32Å; T350-K352 PolarHBondContact OG1-N 2.87Å; K352-Y354 PolarHBondContact O-N 3.03Å
353	D	89.4	Confident	93.8	Very high	11 Å²	11	41.3 Å²	41.3	6%	0.059	23%	0.226	C	C	.	.	S	Bend	trans	-84.1	4	177.5	-53.4	-73.6	0	0	0	112.1	R335 T350 G355 F357 L374 I376	R335-D353 IonicContact CZ-OD1 2.69Å; R335-D353 VanDerWaalsContact CZ-OD1 3.25Å; R335-D353 IonicContact CZ-OD2 3.15Å; R335-D353 IonicContact NH1-OD1 3.55Å; R335-D353 PolarHBondContact NH1-OD1 3Å; R335-D353 IonicContact NH1-OD2 3.22Å; R335-D353 PolarHBondContact NH1-OD2 3Å; R335-D353 IonicContact NH2-OD1 2.78Å; R335-D353 PolarHBondContact NH2-OD1 2.83Å; R335-D353 IonicContact NH2-OD2 2.78Å; T350-D353 WeakPolarHBondContact CA-OD2 3.39Å; T350-D353 WeakPolarHBondContact CB-OD2 3.45Å; T350-D353 PolarHBondContact N-OD2 3.08Å; T350-D353 WeakPolarHBondContact O-CB 3.41Å; T350-D353 PolarHBondContact O-N 2.73Å; T350-D353 VanDerWaalsContact O-OD2 3.13Å; T350-D353 PolarHBondContact OG1-OD2 3.27Å; D353-G355 PolarHBondContact O-N 2.96Å; D353-F357 HydrophobicContact CB-CZ 4.37Å; D353-F357 WeakPolarHBondContact O-CE2 3.44Å; D353-L374 HydrophobicContact CB-CD2 4.27Å; D353-I376 HydrophobicContact CB-CD1 3.74Å
354	Y	93.1	Very high	93.8	Very high	142 Å²	142	43.4 Å²	43.4	56%	0.557	25%	0.245	S	C	*	.			trans	-68.5	124.2	172.2	173.4	-90.6	0	0	0	110.3	K352	K352-Y354 PolarHBondContact O-N 3.03Å
355	G	94.1	Very high	93.8	Very high	16 Å²	16	45.5 Å²	45.5	17%	0.165	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.7	-157.4	175.2	0	0	0	0	0	114.1	D353 L374	D353-G355 PolarHBondContact O-N 2.96Å; G355-L374 PolarHBondContact N-O 3.18Å; G355-L374 VanDerWaalsContact N-O 3.11Å; G355-L374 PolarHBondContact O-N 2.89Å
356	I	96.3	Very high	93.9	Very high	97 Å²	97	45.1 Å²	45.1	50%	0.497	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	116.5	179.3	-59.2	175.4	0	0	0	108.9	P325 I372	P325-I356 WeakPolarHBondContact CA-O 3.41Å; I356-I372 CarbonylContact C-O 3.54Å; I356-I372 WeakPolarHBondContact CA-O 3.49Å
357	F	96.4	Very high	94	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.009	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	143.9	165	-71.4	-104.1	0	0	0	108.7	L308 W322 V323 A324 P325 I330 L344 I346 D353 S371 I372 L374	L308-F357 HydrophobicContact CD1-CB 3.94Å; L308-F357 HydrophobicContact CD1-CD1 3.91Å; L308-F357 HydrophobicContact CD1-CD2 3.92Å; L308-F357 HydrophobicContact CD1-CE1 4.42Å; L308-F357 HydrophobicContact CD1-CE2 4.45Å; L308-F357 HydrophobicContact CD1-CG 3.64Å; W322-F357 HydrophobicContact CE3-CB 4.38Å; W322-F357 HydrophobicContact CZ3-CB 4.32Å; V323-F357 WeakPolarHBondContact O-CA 3.34Å; A324-F357 HydrophobicContact CB-CE1 4.41Å; P325-F357 HydrophobicContact CG-CD2 3.98Å; P325-F357 HydrophobicContact CG-CE2 3.73Å; P325-F357 HydrophobicContact CG-CZ 4.15Å; I330-F357 HydrophobicContact CD1-CD1 3.69Å; I330-F357 HydrophobicContact CD1-CE1 3.59Å; L344-F357 HydrophobicContact CD2-CD1 4.13Å; L344-F357 HydrophobicContact CD2-CE1 4.39Å; I346-F357 HydrophobicContact CD1-CE1 3.76Å; I346-F357 HydrophobicContact CD1-CZ 3.66Å; D353-F357 HydrophobicContact CB-CZ 4.37Å; D353-F357 WeakPolarHBondContact O-CE2 3.44Å; F357-S371 CarbonylContact O-C 3.24Å; F357-S371 WeakPolarHBondContact O-CA 3.38Å; F357-I372 PolarHBondContact N-O 2.73Å; F357-I372 PolarHBondContact O-N 3.02Å; F357-L374 HydrophobicContact CD2-CB 3.88Å; F357-L374 HydrophobicContact CD2-CD2 4.39Å; F357-L374 HydrophobicContact CE2-CB 3.75Å; F357-L374 HydrophobicContact CE2-CD2 3.62Å; F357-L374 HydrophobicContact CE2-CG 4.3Å; F357-L374 HydrophobicContact CZ-CD2 4.11Å
358	T	96.6	Very high	94.2	Very high	33 Å²	33	50.1 Å²	50.1	20%	0.202	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	119.2	173	-59.8	0	0	0	0	109.6	V323 I360 A370	V323-T358 PolarHBondContact N-O 2.84Å; V323-T358 PolarHBondContact O-N 3.06Å; T358-I360 HydrophobicContact CG2-CG1 4.11Å; T358-A370 WeakPolarHBondContact CA-O 3.45Å
359	C	96.5	Very high	94.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	133.1	163.2	170.4	0	0	0	0	108.9	C310 W322 T369 A370	C310-C359 HydrophobicContact CB-CB 3.61Å; C310-C359 WeakPolarHBondContact CB-SG 3.38Å; C310-C359 WeakPolarHBondContact SG-CB 3.5Å; C310-C359 CovalentContact SG-SG 2.02Å; C310-C359 PolarHBondContact SG-SG 2.97Å; W322-C359 HydrophobicContact CE3-CB 4.31Å; W322-C359 HydrophobicContact CH2-CB 4.12Å; W322-C359 HydrophobicContact CZ2-CB 4.33Å; W322-C359 HydrophobicContact CZ3-CB 4.11Å; C359-T369 CarbonylContact O-C 3.6Å; C359-T369 VanDerWaalsContact O-CA 3.27Å; C359-T369 WeakPolarHBondContact O-CA 3.33Å; C359-A370 PolarHBondContact N-O 2.95Å; C359-A370 PolarHBondContact O-N 3.17Å
360	I	96.6	Very high	94.7	Very high	33 Å²	33	50.6 Å²	50.6	17%	0.169	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.6	174.9	-57.6	-173.2	0	0	0	107.8	V320 H321 V323 T358 E367 T369	V320-I360 WeakPolarHBondContact CA-O 3.14Å; H321-I360 HydrophobicContact CB-CB 4.48Å; H321-I360 PolarHBondContact N-O 2.94Å; H321-I360 PolarHBondContact O-N 3.1Å; V323-I360 HydrophobicContact CG2-CD1 3.61Å; V323-I360 HydrophobicContact CG2-CG1 4.27Å; T358-I360 HydrophobicContact CG2-CG1 4.11Å; I360-E367 HydrophobicContact CG2-CG 3.54Å; I360-E367 WeakPolarHBondContact CG2-OE1 3.34Å; I360-T369 HydrophobicContact CB-CG2 4.41Å; I360-T369 HydrophobicContact CG1-CG2 3.98Å; I360-T369 HydrophobicContact CG2-CG2 4.27Å
361	A	97.1	Very high	94.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.1	172.6	0	0	0	0	0	109.6	P289 I291 A312 P318 T319 V320 E367 S368	P289-A361 HydrophobicContact CB-CB 4.18Å; P289-A361 VanDerWaalsContact CG-O 3.24Å; P289-A361 WeakPolarHBondContact CG-O 3.32Å; I291-A361 HydrophobicContact CD1-CB 4.28Å; I291-A361 HydrophobicContact CG1-CB 3.97Å; A312-A361 HydrophobicContact CB-CB 3.4Å; P318-A361 HydrophobicContact CB-CB 4.44Å; T319-A361 CarbonylContact O-C 3.57Å; T319-A361 WeakPolarHBondContact O-CA 3.34Å; V320-A361 HydrophobicContact CG2-CB 4.4Å; A361-E367 CarbonylContact O-C 3.09Å; A361-E367 WeakPolarHBondContact O-CA 3.46Å; A361-S368 PolarHBondContact N-O 2.97Å; A361-S368 PolarHBondContact O-N 3.5Å
362	A	96.3	Very high	95.3	Very high	26 Å²	26	48.9 Å²	48.9	22%	0.215	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	142.3	-174	0	0	0	0	0	112.6	P318 T319 G366	P318-A362 CarbonylContact C-O 3.16Å; P318-A362 VanDerWaalsContact CA-O 3.3Å; P318-A362 WeakPolarHBondContact CA-O 3.33Å; P318-A362 WeakPolarHBondContact CB-O 3.38Å; T319-A362 PolarHBondContact N-O 2.89Å; T319-A362 PolarHBondContact O-N 2.88Å; T319-A362 PolarHBondContact OG1-O 2.87Å; A362-G366 WeakPolarHBondContact CA-O 3.08Å
363	N	96.5	Very high	95.8	Very high	26 Å²	26	43.1 Å²	43.1	14%	0.139	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	-177.7	171	82.9	1.2	0	0	0	111.9	E287 P289 P316 P318 A365 G366	E287-N363 PolarHBondContact O-ND2 3.39Å; P289-N363 WeakPolarHBondContact CD-OD1 3.49Å; P316-N363 HydrophobicContact CG-CB 4.13Å; P316-N363 WeakPolarHBondContact O-CB 3.38Å; P316-N363 PolarHBondContact O-ND2 3.29Å; P318-N363 HydrophobicContact CB-CB 4.11Å; N363-A365 PolarHBondContact O-N 2.73Å; N363-A365 VanDerWaalsContact O-N 3.09Å; N363-A365 WeakPolarHBondContact OD1-CA 3.29Å; N363-A365 WeakPolarHBondContact OD1-CB 3.15Å; N363-A365 PolarHBondContact OD1-N 3.11Å; N363-G366 PolarHBondContact N-O 2.75Å; N363-G366 PolarHBondContact O-N 3.11Å; N363-G366 VanDerWaalsContact O-N 3.1Å; N363-G366 PolarHBondContact OD1-N 3.03Å
364	A	94.6	Very high	96.1	Very high	59 Å²	59	42.6 Å²	42.6	49%	0.488	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.2	-177.8	0	0	0	0	0	115.5	E249 P316	E249-A364 HydrophobicContact CG-CB 4.04Å; P316-A364 HydrophobicContact CG-CB 4.15Å
365	A	95.8	Very high	96.1	Very high	44 Å²	44	36.4 Å²	36.4	36%	0.364	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-12.5	176.2	0	0	0	0	0	114.3	C286 P288 N363	C286-A365 HydrophobicContact CB-CB 3.71Å; P288-A365 HydrophobicContact CB-CB 4.19Å; N363-A365 PolarHBondContact O-N 2.73Å; N363-A365 VanDerWaalsContact O-N 3.09Å; N363-A365 WeakPolarHBondContact OD1-CA 3.29Å; N363-A365 WeakPolarHBondContact OD1-CB 3.15Å; N363-A365 PolarHBondContact OD1-N 3.11Å
366	G	95.8	Very high	96.1	Very high	31 Å²	31	37 Å²	37	32%	0.32	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	153.4	-158.8	175.6	0	0	0	0	0	115.2	P289 A362 N363	P289-G366 WeakPolarHBondContact CD-O 3.37Å; P289-G366 WeakPolarHBondContact CG-O 2.99Å; A362-G366 WeakPolarHBondContact CA-O 3.08Å; N363-G366 PolarHBondContact N-O 2.75Å; N363-G366 PolarHBondContact O-N 3.11Å; N363-G366 VanDerWaalsContact O-N 3.1Å; N363-G366 PolarHBondContact OD1-N 3.03Å
367	E	96.6	Very high	95.7	Very high	127 Å²	127	36 Å²	36	59%	0.593	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	147.6	-173.1	-168.2	-173.3	127.6	0	0	110.8	I360 A361 T369	I360-E367 HydrophobicContact CG2-CG 3.54Å; I360-E367 WeakPolarHBondContact CG2-OE1 3.34Å; A361-E367 CarbonylContact O-C 3.09Å; A361-E367 WeakPolarHBondContact O-CA 3.46Å; E367-T369 HydrophobicContact CG-CG2 4.27Å; E367-T369 VanDerWaalsContact OE1-CG2 3.23Å; E367-T369 WeakPolarHBondContact OE1-CG2 3.48Å
368	S	97.3	Very high	95.1	Very high	30 Å²	30	41.7 Å²	41.7	21%	0.21	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	136.9	173.3	-174.4	0	0	0	0	109	P289 I291 A361	P289-S368 WeakPolarHBondContact O-CB 3.39Å; I291-S368 WeakPolarHBondContact CD1-O 3.2Å; A361-S368 PolarHBondContact N-O 2.97Å; A361-S368 PolarHBondContact O-N 3.5Å
369	T	97.1	Very high	93.8	Very high	78 Å²	78	45.2 Å²	45.2	48%	0.479	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146.9	-172.8	60.9	0	0	0	0	112.1	C359 I360 E367	C359-T369 CarbonylContact O-C 3.6Å; C359-T369 VanDerWaalsContact O-CA 3.27Å; C359-T369 WeakPolarHBondContact O-CA 3.33Å; I360-T369 HydrophobicContact CB-CG2 4.41Å; I360-T369 HydrophobicContact CG1-CG2 3.98Å; I360-T369 HydrophobicContact CG2-CG2 4.27Å; E367-T369 HydrophobicContact CG-CG2 4.27Å; E367-T369 VanDerWaalsContact OE1-CG2 3.23Å; E367-T369 WeakPolarHBondContact OE1-CG2 3.48Å
370	A	96.3	Very high	92.1	Very high	8 Å²	8	50.6 Å²	50.6	7%	0.066	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	129.1	175.9	0	0	0	0	0	110.7	I291 H294 T358 C359	I291-A370 HydrophobicContact CD1-CB 3.59Å; I291-A370 HydrophobicContact CG2-CB 4.16Å; H294-A370 HydrophobicContact CB-CB 4.43Å; T358-A370 WeakPolarHBondContact CA-O 3.45Å; C359-A370 PolarHBondContact N-O 2.95Å; C359-A370 PolarHBondContact O-N 3.17Å
371	S	96.3	Very high	89.9	Confident	74 Å²	74	57.4 Å²	57.4	52%	0.517	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	138.4	-179.5	-60.4	0	0	0	0	111.4	F357	F357-S371 CarbonylContact O-C 3.24Å; F357-S371 WeakPolarHBondContact O-CA 3.38Å
372	I	96.3	Very high	87.7	Confident	0 Å²	0	65 Å²	65	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	120	-167.9	-53.7	-169.2	0	0	0	109.1	H294 T295 L308 W322 I356 F357	H294-I372 HydrophobicContact CB-CD1 4.16Å; T295-I372 HydrophobicContact CG2-CG2 4.15Å; T295-I372 VanDerWaalsContact O-CD1 3.24Å; T295-I372 WeakPolarHBondContact O-CD1 3.47Å; T295-I372 WeakPolarHBondContact O-CG1 3.23Å; T295-I372 WeakPolarHBondContact O-CG2 3.36Å; L308-I372 HydrophobicContact CD2-CG2 3.96Å; W322-I372 HydrophobicContact CH2-CD1 3.55Å; W322-I372 HydrophobicContact CZ3-CD1 3.71Å; I356-I372 CarbonylContact C-O 3.54Å; I356-I372 WeakPolarHBondContact CA-O 3.49Å; F357-I372 PolarHBondContact N-O 2.73Å; F357-I372 PolarHBondContact O-N 3.02Å
373	E	96.4	Very high	85.2	Confident	68 Å²	68	69.2 Å²	69.2	32%	0.318	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	113.3	-176.7	-170	-165.6	165.8	0	0	111.4	H296 K297 L298 S375	H296-E373 PolarHBondContact O-N 2.74Å; H296-E373 VanDerWaalsContact O-N 3.09Å; K297-E373 CarbonylContact C-O 3.6Å; K297-E373 WeakPolarHBondContact CA-O 3.27Å; K297-E373 HydrophobicContact CB-CB 4.45Å; K297-E373 WeakPolarHBondContact CD-OE2 3.36Å; K297-E373 WeakPolarHBondContact CE-OE2 3.28Å; K297-E373 HydrophobicContact CG-CB 4.2Å; K297-E373 IonicContact NZ-OE1 3.96Å; K297-E373 PolarHBondContact NZ-OE1 3.18Å; K297-E373 IonicContact NZ-OE2 3.48Å; K297-E373 PolarHBondContact NZ-OE2 2.89Å; L298-E373 PolarHBondContact N-O 2.83Å; E373-S375 PolarHBondContact OE1-OG 3.43Å
374	L	95.7	Very high	82.9	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	111.9	171	-176.1	57.4	0	0	0	110.3	L298 A306 I346 D353 G355 F357 I376	L298-L374 HydrophobicContact CB-CD1 3.97Å; L298-L374 HydrophobicContact CD2-CD1 4.03Å; L298-L374 HydrophobicContact CG-CD1 3.97Å; A306-L374 HydrophobicContact CB-CD1 4.13Å; A306-L374 HydrophobicContact CB-CD2 4.24Å; I346-L374 HydrophobicContact CD1-CD2 4.3Å; D353-L374 HydrophobicContact CB-CD2 4.27Å; G355-L374 PolarHBondContact N-O 3.18Å; G355-L374 VanDerWaalsContact N-O 3.11Å; G355-L374 PolarHBondContact O-N 2.89Å; F357-L374 HydrophobicContact CD2-CB 3.88Å; F357-L374 HydrophobicContact CD2-CD2 4.39Å; F357-L374 HydrophobicContact CE2-CB 3.75Å; F357-L374 HydrophobicContact CE2-CD2 3.62Å; F357-L374 HydrophobicContact CE2-CG 4.3Å; F357-L374 HydrophobicContact CZ-CD2 4.11Å; L374-I376 HydrophobicContact CD2-CD1 4.41Å; L374-I376 HydrophobicContact CG-CD1 4.41Å; L374-I376 HydrophobicContact CG-CG1 4.24Å
375	S	93.9	Very high	80.1	Confident	13 Å²	13	77.2 Å²	77.2	9%	0.091	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	139.2	173.6	-66.8	0	0	0	0	110.4	L298 L299 V300 E373	L298-S375 PolarHBondContact O-N 3.41Å; L299-S375 WeakPolarHBondContact CA-O 3.29Å; L299-S375 VanDerWaalsContact CD1-CB 3.44Å; V300-S375 PolarHBondContact N-O 3.43Å; E373-S375 PolarHBondContact OE1-OG 3.43Å
376	I	93.1	Very high	77.7	Confident	27 Å²	27	81 Å²	81	14%	0.138	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.1	-173.6	-60.7	178	0	0	0	110.4	V300 E302 T350 D353 L374	V300-I376 CarbonylContact O-C 3.31Å; V300-I376 WeakPolarHBondContact O-CA 3.19Å; E302-I376 HydrophobicContact CB-CG2 3.9Å; E302-I376 HydrophobicContact CG-CG2 4.49Å; T350-I376 WeakPolarHBondContact O-CD1 3.31Å; D353-I376 HydrophobicContact CB-CD1 3.74Å; L374-I376 HydrophobicContact CD2-CD1 4.41Å; L374-I376 HydrophobicContact CG-CD1 4.41Å; L374-I376 HydrophobicContact CG-CG1 4.24Å
377	I	88.3	Confident	74.9	Confident	78 Å²	78	86.9 Å²	86.9	40%	0.4	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	117.9	178.8	-56.1	175.5	0	0	0	108.9	L299 V300 L301 E302	L299-I377 HydrophobicContact CD1-CD1 3.89Å; L299-I377 HydrophobicContact CD1-CG1 3.67Å; L299-I377 HydrophobicContact CD2-CD1 4.02Å; L299-I377 HydrophobicContact CG-CD1 3.8Å; L299-I377 HydrophobicContact CG-CG1 4.12Å; V300-I377 PolarHBondContact O-N 3.31Å; L301-I377 CarbonylContact C-O 3.5Å; L301-I377 WeakPolarHBondContact CA-O 3.27Å; L301-I377 HydrophobicContact CD2-CB 3.75Å; L301-I377 HydrophobicContact CD2-CD1 4.45Å; L301-I377 HydrophobicContact CD2-CG2 3.65Å; E302-I377 PolarHBondContact N-O 3.32Å
378	Q	83.4	Confident	72	Confident	120 Å²	120	92.4 Å²	92.4	56%	0.561	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-79.3	133.8	170	-52.1	-164.5	-61.2	0	0	110	E302	E302-Q378 WeakPolarHBondContact OE2-CG 3.39Å; E302-Q378 PolarHBondContact OE2-NE2 3.43Å
379	L	70.6	Confident	69	Low	107 Å²	107	97.1 Å²	97.1	56%	0.56	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-71.7	137.3	170.7	-81.6	76.2	0	0	0	109.6	L301 H381	L301-L379 HydrophobicContact CB-CD1 3.94Å; L301-L379 HydrophobicContact CD2-CD1 3.63Å; L301-L379 HydrophobicContact CD2-CG 4.45Å; L301-L379 HydrophobicContact CG-CD1 4.27Å; L379-H381 PolarHBondContact O-N 2.91Å; L379-H381 VanDerWaalsContact O-N 3.1Å
380	P	61.2	Low	65.9	Low	114 Å²	114	99.5 Å²	99.5	74%	0.74	54%	0.539	S	S	*	.			trans	-68.4	111.6	177.2	27.4	-33.4	0	0	0	110.5	I382	P380-I382 PolarHBondContact O-N 3.47Å
381	H	49.9	Very low	63.1	Low	175 Å²	175	105.4 Å²	105.4	81%	0.81	57%	0.569	S	S	*	*			trans	-63.1	100.5	171.4	-76	-77.4	0	0	0	110.6	L379 T383	L379-H381 PolarHBondContact O-N 2.91Å; L379-H381 VanDerWaalsContact O-N 3.1Å; H381-T383 VanDerWaalsContact C-N 3.26Å; H381-T383 PolarHBondContact O-N 3.36Å
382	I	51	Low	60.4	Low	159 Å²	159	108 Å²	108	82%	0.815	58%	0.584	S	S	*	*			trans	-68.8	87.5	169.8	-56.9	179.4	0	0	0	108.1	P380 N384	P380-I382 PolarHBondContact O-N 3.47Å; I382-N384 PolarHBondContact O-N 3.24Å
383	T	43.3	Very low	57.4	Low	116 Å²	116	116.7 Å²	116.7	71%	0.712	62%	0.621	S	S	*	*			trans	-68.8	120.1	170.4	49.8	0	0	0	0	108.4	H381 S385	H381-T383 VanDerWaalsContact C-N 3.26Å; H381-T383 PolarHBondContact O-N 3.36Å; T383-S385 PolarHBondContact O-N 3.15Å
384	N	47	Very low	54.3	Low	154 Å²	154	119.6 Å²	119.6	82%	0.824	65%	0.649	S	S	*	*			trans	-80.1	65.3	-171.6	-153.5	-0.6	0	0	0	111	I382 T386	I382-N384 PolarHBondContact O-N 3.24Å; N384-T386 PolarHBondContact O-N 3.07Å
385	S	36.6	Very low	51.3	Low	98 Å²	98	122.2 Å²	122.2	69%	0.685	68%	0.676	S	S	*	*			trans	-85.5	92.3	-173.6	-171.3	0	0	0	0	111.4	T383 N387	T383-S385 PolarHBondContact O-N 3.15Å; S385-N387 PolarHBondContact O-N 3.33Å
386	T	46.7	Very low	48.6	Very low	123 Å²	123	129.5 Å²	129.5	76%	0.755	71%	0.713	S	S	*	*			trans	-72.9	90.5	168.5	51.1	0	0	0	0	110.9	N384	N384-T386 PolarHBondContact O-N 3.07Å
387	N	35.2	Very low	45.8	Very low	156 Å²	156	132.8 Å²	132.8	83%	0.834	74%	0.739	S	S	*	*			trans	-153.3	139.7	155.8	-98.2	-43.5	0	0	0	112.2	S385	S385-N387 PolarHBondContact O-N 3.33Å
388	R	37.4	Very low	43	Very low	242 Å²	242	135.7 Å²	135.7	91%	0.913	76%	0.755	S	S	*	*			trans	-101.5	124.7	-176	-70.8	173.4	168.1	176.5	-4.1	111.7
389	T	33.4	Very low	40.9	Very low	129 Å²	129	137.1 Å²	137.1	79%	0.791	77%	0.765	S	S	*	*			trans	-151.7	123.2	150.7	-9.9	0	0	0	0	114.1
390	T	32.8	Very low	39.2	Very low	129 Å²	129	137.4 Å²	137.4	79%	0.791	77%	0.772	S	S	*	*			trans	45.3	104.2	148.8	49.4	0	0	0	0	122
391	L	37.4	Very low	37.6	Very low	132 Å²	132	137.3 Å²	137.3	69%	0.691	77%	0.774	S	S	*	*			trans	-33.4	156.8	143.2	-151.3	65.1	0	0	0	115.6	K393	L391-K393 HydrophobicContact CD2-CD 4.35Å; L391-K393 HydrophobicContact CD2-CG 3.5Å; L391-K393 HydrophobicContact CG-CG 4.13Å
392	P	38.3	Very low	36.7	Very low	127 Å²	127	134 Å²	134	83%	0.825	77%	0.77	S	S	*	*				-127.7	164.5	108.5	15	3.9	0	0	0	114.2
393	K	33.6	Very low	35.8	Very low	183 Å²	183	132 Å²	132	80%	0.796	77%	0.765	S	S	*	*			trans	-98.4	144.1	-165.3	-64.6	173.4	177.9	177.9	0	113.9	L391	L391-K393 HydrophobicContact CD2-CD 4.35Å; L391-K393 HydrophobicContact CD2-CG 3.5Å; L391-K393 HydrophobicContact CG-CG 4.13Å
394	S	30.7	Very low	35.1	Very low	129 Å²	129	136 Å²	136	90%	0.902	77%	0.773	S	S	*	*			trans	-161.7	134.5	140.3	-168.8	0	0	0	0	108.7
395	G	33.9	Very low	34.7	Very low	55 Å²	55	136.9 Å²	136.9	57%	0.567	78%	0.776	S	S	*	*			cis	172	129.1	-6.1	0	0	0	0	0	110.9
396	L	35.8	Very low	34.4	Very low	166 Å²	166	135.7 Å²	135.7	87%	0.869	78%	0.779	S	S	*	*			trans	67.5	128.2	-172.7	-69.9	63.1	0	0	0	113.6
397	S	35.1	Very low	33.7	Very low	97 Å²	97	140.2 Å²	140.2	68%	0.678	79%	0.788	S	S	*	*			cis	77.7	142.5	30.8	-61.1	0	0	0	0	115
398	D	30.6	Very low	33.3	Very low	138 Å²	138	136.1 Å²	136.1	74%	0.738	78%	0.783	S	S	*	*			cis	-174.2	-168.3	-18.9	-104	-56.7	0	0	0	106.5
399	I	38.4	Very low	32.9	Very low	151 Å²	151	133.8 Å²	133.8	77%	0.774	78%	0.783	S	S	*	*			trans	98.2	122.2	155.3	-54.1	170.6	0	0	0	116.5
400	T	34.1	Very low	32.9	Very low	113 Å²	113	133.8 Å²	133.8	69%	0.693	79%	0.785	S	S	*	*			cis	-170.4	157.6	-29.4	37.6	0	0	0	0	108.8
401	S	28.2	Very low	32.7	Very low	112 Å²	112	136.9 Å²	136.9	78%	0.783	79%	0.787	S	S	*	*			trans	62.2	106.7	143.5	-63.8	0	0	0	0	121.8
402	S	32.1	Very low	32.6	Very low	104 Å²	104	135.8 Å²	135.8	73%	0.727	79%	0.788	S	S	*	*			trans	-19.2	143.7	132.6	176.1	0	0	0	0	116.5
403	T	32	Very low	32.5	Very low	117 Å²	117	135.2 Å²	135.2	72%	0.718	78%	0.784	S	S	*	*				164.6	121.3	96.9	-54	0	0	0	0	112.7
404	K	29	Very low	32.8	Very low	201 Å²	201	132.1 Å²	132.1	87%	0.874	78%	0.783	S	S	*	*				175.2	159.8	125.5	-99.2	177.5	-178.4	177.6	0	114
405	I	38.4	Very low	33.5	Very low	172 Å²	172	133.9 Å²	133.9	88%	0.882	78%	0.777	S	S	*	*			trans	-97	140.4	-176.4	-65	162.7	0	0	0	110.3
406	G	29.1	Very low	34.6	Very low	74 Å²	74	138.7 Å²	138.7	76%	0.763	78%	0.782	S	S	*	*			trans	-150.4	135.6	165.1	0	0	0	0	0	110.5
407	K	31.5	Very low	36.3	Very low	217 Å²	217	134.1 Å²	134.1	94%	0.943	76%	0.761	S	S	*	*			trans	-88	138.8	173.7	-70.6	-179.1	175	-178.4	0	109.8
408	G	27.5	Very low	38.5	Very low	71 Å²	71	129.9 Å²	129.9	73%	0.732	73%	0.731	S	S	*	*			trans	167.1	108.1	167.2	0	0	0	0	0	114.3
409	E	29.7	Very low	41	Very low	193 Å²	193	125.3 Å²	125.3	90%	0.902	71%	0.71	S	S	*	*			trans	57.3	144.2	160.6	-62.5	-174.7	118.4	0	0	120.8
410	P	33.8	Very low	43.2	Very low	128 Å²	128	119.7 Å²	119.7	83%	0.831	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-82.4	118.1	177	32.7	-32.2	0	0	0	111.5
411	K	28.5	Very low	45.5	Very low	194 Å²	194	115.8 Å²	115.8	84%	0.843	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-69.7	152.3	158.3	-89.4	-172.3	173.1	-177.6	0	110.3
412	P	33.9	Very low	48	Very low	110 Å²	110	116.6 Å²	116.6	71%	0.714	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-59.7	157.4	172	27.1	-35.3	0	0	0	111.3
413	P	35.9	Very low	50.5	Low	114 Å²	114	113.9 Å²	113.9	74%	0.74	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-59.2	152.3	176.6	26.9	-35.5	0	0	0	111.2	E415	P413-E415 PolarHBondContact O-N 2.82Å
414	P	40.8	Very low	53.1	Low	118 Å²	118	111 Å²	111	77%	0.766	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-60.8	135.7	178.6	26.2	-34.4	0	0	0	110.8	K416	P414-K416 PolarHBondContact O-N 3.33Å
415	E	45.3	Very low	55.6	Low	166 Å²	166	101.7 Å²	101.7	78%	0.776	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-54.6	122.7	171.4	-87.1	-176.8	113.4	0	0	109.9	P413 V417	P413-E415 PolarHBondContact O-N 2.82Å; E415-V417 PolarHBondContact O-N 3.07Å
416	K	56.9	Low	57.7	Low	157 Å²	157	98.1 Å²	98.1	68%	0.683	56%	0.555	S	S	*	*			trans	-70.9	111.7	169.4	-72.1	-170.7	174.5	-174.3	0	108.4	P414 V418	P414-K416 PolarHBondContact O-N 3.33Å; K416-V418 WeakPolarHBondContact CB-O 3.46Å; K416-V418 PolarHBondContact O-N 3.34Å; K416-V418 VanDerWaalsContact O-N 3.13Å
417	V	71.8	Confident	60.5	Low	69 Å²	69	95.8 Å²	95.8	42%	0.418	53%	0.527	S	S	.	.	S	Bend	trans	-56.5	-29.1	-178.3	-168.9	0	0	0	0	112.2	E415 W432 T433 V500	E415-V417 PolarHBondContact O-N 3.07Å; V417-W432 CarbonylContact O-C 3.57Å; V417-W432 VanDerWaalsContact O-CA 3.25Å; V417-W432 WeakPolarHBondContact O-CA 3.39Å; V417-W432 WeakPolarHBondContact O-CB 3.07Å; V417-T433 VanDerWaalsContact CG1-O 3.24Å; V417-T433 WeakPolarHBondContact CG1-O 3.5Å; V417-T433 PolarHBondContact O-N 3.12Å; V417-V500 HydrophobicContact CG1-CG1 3.81Å; V417-V500 WeakPolarHBondContact CG1-O 3.45Å
418	V	81.2	Confident	63.2	Low	8 Å²	8	85.5 Å²	85.5	5%	0.048	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.7	166.5	-175.7	0	0	0	0	108.9	K416 V430 W432 V483 V500 I503	K416-V418 WeakPolarHBondContact CB-O 3.46Å; K416-V418 PolarHBondContact O-N 3.34Å; K416-V418 VanDerWaalsContact O-N 3.13Å; V418-V430 HydrophobicContact CG1-CG1 3.98Å; V418-W432 HydrophobicContact CG2-CB 3.99Å; V418-V483 HydrophobicContact CG1-CG2 3.75Å; V418-V483 HydrophobicContact CG2-CB 4.01Å; V418-V483 HydrophobicContact CG2-CG2 3.98Å; V418-V500 HydrophobicContact CG2-CG1 4.09Å; V418-I503 HydrophobicContact CG1-CG2 3.88Å
419	S	83.6	Confident	66.1	Low	42 Å²	42	83.1 Å²	83.1	29%	0.294	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	152.7	-179.6	62.4	0	0	0	0	110.8	V430 K431	S419-V430 WeakPolarHBondContact O-CA 3.33Å; S419-K431 PolarHBondContact N-O 3.17Å; S419-K431 PolarHBondContact O-N 3Å; S419-K431 PolarHBondContact OG-O 2.84Å
420	V	85.3	Confident	68.9	Low	34 Å²	34	74 Å²	74	21%	0.206	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140	172.4	-172	0	0	0	0	108.3	V423 A428 V430 I503 F505	V420-V423 HydrophobicContact CG1-CG2 3.62Å; V420-A428 HydrophobicContact CG1-CB 3.88Å; V420-V430 HydrophobicContact CG2-CG2 4.36Å; V420-I503 HydrophobicContact CG2-CD1 4.17Å; V420-I503 HydrophobicContact CG2-CG1 4.35Å; V420-I503 HydrophobicContact CG2-CG2 3.63Å; V420-F505 HydrophobicContact CG1-CD1 4.42Å; V420-F505 HydrophobicContact CG1-CD2 4.44Å; V420-F505 HydrophobicContact CG1-CG 4.26Å; V420-F505 HydrophobicContact CG2-CD1 4.1Å
421	S	80.6	Confident	71.4	Confident	31 Å²	31	71.4 Å²	71.4	22%	0.217	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	165.4	-178.1	49.9	0	0	0	0	109.3	V423 L429 K431	S421-V423 PolarHBondContact O-N 2.9Å; S421-V423 VanDerWaalsContact O-N 3.17Å; S421-L429 PolarHBondContact N-O 3.06Å; S421-L429 WeakPolarHBondContact O-CA 3.31Å; S421-L429 WeakPolarHBondContact O-CB 3.4Å; S421-L429 PolarHBondContact O-N 2.67Å; S421-L429 PolarHBondContact OG-O 3.22Å; S421-L429 VanDerWaalsContact OG-O 3.05Å; S421-K431 PolarHBondContact OG-NZ 3.33Å
422	E	82	Confident	74.3	Confident	129 Å²	129	62.4 Å²	62.4	60%	0.603	35%	0.346	S	S	*	.	S	Bend	trans	53.1	42.8	171.4	-60.8	151.2	-122.8	0	0	112.8	L429 K431	E422-L429 HydrophobicContact CB-CB 4.17Å; E422-L429 WeakPolarHBondContact OE1-CD2 3.17Å; E422-L429 VanDerWaalsContact OE2-CD2 3.3Å; E422-L429 WeakPolarHBondContact OE2-CD2 3.36Å; E422-K431 IonicContact OE1-NZ 3.35Å; E422-K431 PolarHBondContact OE1-NZ 2.8Å
423	V	84.5	Confident	76.4	Confident	47 Å²	47	60.1 Å²	60.1	29%	0.285	33%	0.331	S	S	.	.			trans	-73.9	126.9	176.1	-175.8	0	0	0	0	109.4	V420 S421 A428 F505 V506	V420-V423 HydrophobicContact CG1-CG2 3.62Å; S421-V423 PolarHBondContact O-N 2.9Å; S421-V423 VanDerWaalsContact O-N 3.17Å; V423-A428 HydrophobicContact CG1-CB 4.5Å; V423-A428 HydrophobicContact CG2-CB 4.06Å; V423-F505 HydrophobicContact CG1-CD2 4.02Å; V423-F505 HydrophobicContact CG1-CE2 4.4Å; V423-F505 HydrophobicContact CG2-CD2 4.1Å; V423-V506 WeakPolarHBondContact CG1-O 3.42Å
424	T	85.3	Confident	78.1	Confident	55 Å²	55	57 Å²	57	34%	0.337	31%	0.309	S	S	.	.			trans	-117.4	-166.4	172.6	77.4	0	0	0	0	109.3	I426 S427 T507 T508	T424-I426 VanDerWaalsContact C-N 3.33Å; T424-I426 PolarHBondContact OG1-N 2.96Å; T424-I426 VanDerWaalsContact OG1-N 3.16Å; T424-S427 WeakPolarHBondContact CG2-OG 3.43Å; T424-S427 PolarHBondContact N-O 3.02Å; T424-S427 PolarHBondContact OG1-N 2.78Å; T424-S427 PolarHBondContact OG1-O 3.24Å; T424-S427 PolarHBondContact OG1-OG 2.92Å; T424-T507 WeakPolarHBondContact O-CA 3.11Å; T424-T507 WeakPolarHBondContact O-CB 3.41Å; T424-T508 PolarHBondContact O-N 3.11Å
425	A	82.4	Confident	79.1	Confident	6 Å²	6	54.6 Å²	54.6	5%	0.05	30%	0.295	C	S	.	.	S	Bend	trans	-73.6	-25.7	173.5	0	0	0	0	0	113.3	V474 P475 T508 D510	A425-V474 CarbonylContact O-C 3.16Å; A425-P475 HydrophobicContact CB-CB 3.94Å; A425-P475 HydrophobicContact CB-CG 3.99Å; A425-P475 WeakPolarHBondContact O-CA 3.42Å; A425-T508 VanDerWaalsContact CA-O 3.25Å; A425-T508 WeakPolarHBondContact CA-O 3.26Å; A425-T508 WeakPolarHBondContact CB-O 3.4Å; A425-T508 PolarHBondContact N-OG1 2.97Å; A425-D510 HydrophobicContact CB-CB 3.32Å
426	I	83.1	Confident	79.6	Confident	97 Å²	97	57.3 Å²	57.3	50%	0.497	30%	0.304	S	S	.	.	S	Bend	trans	-127.5	-1.3	-172	62.6	170.3	0	0	0	114.1	T424 T471 N472 L473 P475	T424-I426 VanDerWaalsContact C-N 3.33Å; T424-I426 PolarHBondContact OG1-N 2.96Å; T424-I426 VanDerWaalsContact OG1-N 3.16Å; I426-T471 CarbonylContact O-C 3.51Å; I426-T471 WeakPolarHBondContact O-CA 3.15Å; I426-N472 PolarHBondContact O-N 2.68Å; I426-L473 PolarHBondContact O-N 3.47Å; I426-P475 HydrophobicContact CG2-CG 4.47Å
427	S	87.9	Confident	79.5	Confident	26 Å²	26	54.9 Å²	54.9	18%	0.182	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	157.5	-177.4	68.7	0	0	0	0	113.7	T424 V470	T424-S427 WeakPolarHBondContact CG2-OG 3.43Å; T424-S427 PolarHBondContact N-O 3.02Å; T424-S427 PolarHBondContact OG1-N 2.78Å; T424-S427 PolarHBondContact OG1-O 3.24Å; T424-S427 PolarHBondContact OG1-OG 2.92Å; S427-V470 CarbonylContact C-O 3.52Å; S427-V470 WeakPolarHBondContact CA-O 3.47Å; S427-V470 VanDerWaalsContact CB-O 3.31Å; S427-V470 WeakPolarHBondContact CB-O 3.43Å
428	A	88.3	Confident	78.8	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	137.2	171.7	0	0	0	0	0	111.3	V420 V423 V470 L473 F505	V420-A428 HydrophobicContact CG1-CB 3.88Å; V423-A428 HydrophobicContact CG1-CB 4.5Å; V423-A428 HydrophobicContact CG2-CB 4.06Å; A428-V470 PolarHBondContact N-O 3.26Å; A428-V470 PolarHBondContact O-N 3.12Å; A428-L473 HydrophobicContact CB-CD1 3.92Å; A428-F505 HydrophobicContact CB-CD2 4.24Å; A428-F505 HydrophobicContact CB-CE2 3.52Å; A428-F505 HydrophobicContact CB-CZ 3.84Å
429	L	87.4	Confident	77.7	Confident	22 Å²	22	56.8 Å²	56.8	12%	0.115	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	107.3	178.4	175.9	55.8	0	0	0	111.1	S421 E422 K431 A467 V469	S421-L429 PolarHBondContact N-O 3.06Å; S421-L429 WeakPolarHBondContact O-CA 3.31Å; S421-L429 WeakPolarHBondContact O-CB 3.4Å; S421-L429 PolarHBondContact O-N 2.67Å; S421-L429 PolarHBondContact OG-O 3.22Å; S421-L429 VanDerWaalsContact OG-O 3.05Å; E422-L429 HydrophobicContact CB-CB 4.17Å; E422-L429 WeakPolarHBondContact OE1-CD2 3.17Å; E422-L429 VanDerWaalsContact OE2-CD2 3.3Å; E422-L429 WeakPolarHBondContact OE2-CD2 3.36Å; L429-K431 HydrophobicContact CG-CG 4.29Å; L429-A467 HydrophobicContact CD1-CB 4.21Å; L429-V469 HydrophobicContact CB-CG2 4.44Å; L429-V469 HydrophobicContact CD1-CG2 3.77Å
430	V	89.5	Confident	76.9	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	135.7	176.4	-169.4	0	0	0	0	109.4	V418 S419 V420 W432 L446 A467 F468 V470 L481 V483	V418-V430 HydrophobicContact CG1-CG1 3.98Å; S419-V430 WeakPolarHBondContact O-CA 3.33Å; V420-V430 HydrophobicContact CG2-CG2 4.36Å; V430-W432 HydrophobicContact CG1-CE3 4.16Å; V430-W432 HydrophobicContact CG1-CZ3 4.47Å; V430-L446 HydrophobicContact CG1-CD1 4.39Å; V430-A467 CarbonylContact O-C 3.6Å; V430-A467 WeakPolarHBondContact O-CA 3.36Å; V430-F468 PolarHBondContact N-O 3.21Å; V430-F468 PolarHBondContact O-N 2.88Å; V430-V470 HydrophobicContact CG2-CG2 3.98Å; V430-L481 HydrophobicContact CG1-CD2 3.91Å; V430-L481 HydrophobicContact CG2-CD1 3.72Å; V430-L481 HydrophobicContact CG2-CD2 4.23Å; V430-V483 HydrophobicContact CG1-CG2 4.27Å
431	K	85.6	Confident	76.3	Confident	74 Å²	74	63.8 Å²	63.8	32%	0.322	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	130.8	178.2	-64.3	170.2	178.7	143.4	0	109.3	S419 S421 E422 L429 R466 A467	S419-K431 PolarHBondContact N-O 3.17Å; S419-K431 PolarHBondContact O-N 3Å; S419-K431 PolarHBondContact OG-O 2.84Å; S421-K431 PolarHBondContact OG-NZ 3.33Å; E422-K431 IonicContact OE1-NZ 3.35Å; E422-K431 PolarHBondContact OE1-NZ 2.8Å; L429-K431 HydrophobicContact CG-CG 4.29Å; K431-R466 WeakPolarHBondContact CA-O 3.32Å; K431-A467 HydrophobicContact CG-CB 3.87Å
432	W	88.2	Confident	76	Confident	5 Å²	5	67 Å²	67	2%	0.019	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.8	-178.6	62.3	98.2	0	0	0	113.3	V417 V418 V430 F444 I461 H465 R466 F468 V483 V500	V417-W432 CarbonylContact O-C 3.57Å; V417-W432 VanDerWaalsContact O-CA 3.25Å; V417-W432 WeakPolarHBondContact O-CA 3.39Å; V417-W432 WeakPolarHBondContact O-CB 3.07Å; V418-W432 HydrophobicContact CG2-CB 3.99Å; V430-W432 HydrophobicContact CG1-CE3 4.16Å; V430-W432 HydrophobicContact CG1-CZ3 4.47Å; W432-F444 AromaticContact CD1-CE1 3.96Å; W432-F444 HydrophobicContact CZ2-CB 4.33Å; W432-F444 AromaticContact CZ2-CD2 3.87Å; W432-F444 HydrophobicContact CZ2-CD2 3.87Å; W432-F444 HydrophobicContact CZ2-CE2 4.41Å; W432-F444 HydrophobicContact CZ2-CG 4.11Å; W432-F444 AromaticContact NE1-CD1 3.52Å; W432-F444 AromaticContact NE1-CD2 3.58Å; W432-F444 AromaticContact NE1-CE1 3.46Å; W432-F444 AromaticContact NE1-CE2 3.52Å; W432-F444 AromaticContact NE1-CG 3.59Å; W432-F444 AromaticContact NE1-CZ 3.47Å; W432-I461 HydrophobicContact CH2-CD1 3.89Å; W432-I461 HydrophobicContact CH2-CG2 3.99Å; W432-I461 HydrophobicContact CZ2-CG2 4Å; W432-H465 WeakPolarHBondContact CZ2-O 3.41Å; W432-R466 PolarHBondContact N-O 2.99Å; W432-F468 HydrophobicContact CH2-CB 3.96Å; W432-F468 HydrophobicContact CZ3-CB 3.96Å; W432-V483 HydrophobicContact CD2-CG1 4.07Å; W432-V483 HydrophobicContact CD2-CG2 4.38Å; W432-V483 HydrophobicContact CE3-CG2 4.28Å; W432-V483 HydrophobicContact CG-CG1 3.98Å; W432-V483 HydrophobicContact CG-CG2 4.5Å; W432-V500 HydrophobicContact CB-CG1 4.44Å
433	T	78.8	Confident	76	Confident	63 Å²	63	64 Å²	64	39%	0.387	34%	0.342	S	S	.	.			trans	-113.2	148.8	174.6	59	0	0	0	0	110.3	V417	V417-T433 VanDerWaalsContact CG1-O 3.24Å; V417-T433 WeakPolarHBondContact CG1-O 3.5Å; V417-T433 PolarHBondContact O-N 3.12Å
434	V	71.5	Confident	76	Confident	47 Å²	47	62.1 Å²	62.1	29%	0.285	33%	0.33	S	S	.	.			trans	-125.9	130.5	178.6	-177	0	0	0	0	108.2	T438 F444	V434-T438 HydrophobicContact CG1-CG2 4.32Å; V434-T438 WeakPolarHBondContact CG1-OG1 3.29Å; V434-F444 HydrophobicContact CG2-CE1 3.67Å; V434-F444 HydrophobicContact CG2-CZ 3.74Å
435	S	62.3	Low	76	Confident	68 Å²	68	61.3 Å²	61.3	48%	0.476	32%	0.322	S	S	.	.			trans	-69	144.5	-177	57.1	0	0	0	0	111.4	S437 T438	S435-S437 PolarHBondContact O-N 2.86Å; S435-S437 PolarHBondContact OG-OG 3.42Å; S435-T438 PolarHBondContact O-N 3.24Å; S435-T438 PolarHBondContact O-OG1 3.14Å
436	K	56.1	Low	76.3	Confident	223 Å²	223	61 Å²	61	97%	0.97	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	4.5	-179.4	-66.3	-176.1	177.7	179.3	0	114.4
437	S	54.3	Low	76.6	Confident	107 Å²	107	58.6 Å²	58.6	75%	0.748	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-0.8	-178.2	55.8	0	0	0	0	114.4	S435	S435-S437 PolarHBondContact O-N 2.86Å; S435-S437 PolarHBondContact OG-OG 3.42Å
438	T	56.3	Low	76.5	Confident	51 Å²	51	57.8 Å²	57.8	31%	0.313	30%	0.299	S	S	.	.	S	Bend	trans	-84.3	151.7	174.5	55	0	0	0	0	112.3	V434 S435 W487	V434-T438 HydrophobicContact CG1-CG2 4.32Å; V434-T438 WeakPolarHBondContact CG1-OG1 3.29Å; S435-T438 PolarHBondContact O-N 3.24Å; S435-T438 PolarHBondContact O-OG1 3.14Å; T438-W487 HydrophobicContact CG2-CZ3 4.25Å
439	P	58.4	Low	76.5	Confident	65 Å²	65	60.3 Å²	60.3	42%	0.422	31%	0.313	S	S	.	.			trans	-62.6	169.5	171.5	29.5	-37.1	0	0	0	112.2	V441 W487	P439-V441 PolarHBondContact O-N 3.14Å; P439-W487 HydrophobicContact CG-CB 4.15Å; P439-W487 HydrophobicContact CG-CD2 3.5Å; P439-W487 VanDerWaalsContact CG-CD2 3.5Å; P439-W487 HydrophobicContact CG-CE3 3.9Å; P439-W487 HydrophobicContact CG-CG 3.62Å; P439-W487 HydrophobicContact CG-CZ2 4.28Å; P439-W487 HydrophobicContact CG-CZ3 4.43Å
440	K	67.1	Low	76.2	Confident	199 Å²	199	59.9 Å²	59.9	87%	0.865	31%	0.311	S	S	*	.			trans	-59.6	103.3	-175.3	-72.2	-177.3	177.1	178.9	0	111.7	K442	K440-K442 PolarHBondContact O-N 2.91Å
441	V	72.6	Confident	75.6	Confident	25 Å²	25	64.2 Å²	64.2	15%	0.152	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	130.5	174.1	-176.6	0	0	0	0	110	P439 M443 F444 A485	P439-V441 PolarHBondContact O-N 3.14Å; V441-M443 WeakPolarHBondContact CG1-O 3.33Å; V441-F444 HydrophobicContact CG1-CD1 4.2Å; V441-F444 HydrophobicContact CG1-CE1 3.84Å; V441-F444 HydrophobicContact CG1-CE2 4.4Å; V441-F444 HydrophobicContact CG1-CZ 3.95Å; V441-A485 HydrophobicContact CG1-CB 4.09Å; V441-A485 HydrophobicContact CG2-CB 4.09Å
442	K	75.1	Confident	74.6	Confident	97 Å²	97	67.6 Å²	67.6	42%	0.422	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-40.7	-176.6	-169.9	168.2	-174.5	160.1	0	111.6	K440 I486 D488	K440-K442 PolarHBondContact O-N 2.91Å; K442-I486 WeakPolarHBondContact CB-O 3.21Å; K442-I486 PolarHBondContact N-O 3.19Å; K442-D488 VanDerWaalsContact CD-OD1 3.3Å; K442-D488 WeakPolarHBondContact CD-OD1 3.41Å; K442-D488 WeakPolarHBondContact CD-OD2 3.04Å; K442-D488 IonicContact NZ-OD1 3.4Å; K442-D488 PolarHBondContact NZ-OD1 2.81Å; K442-D488 IonicContact NZ-OD2 2.94Å; K442-D488 PolarHBondContact NZ-OD2 3.38Å
443	M	81.2	Confident	73.2	Confident	67 Å²	67	71.9 Å²	71.9	33%	0.33	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	161	175.5	56.6	-160.1	174.4	0	0	109.7	V441 M460 I486	V441-M443 WeakPolarHBondContact CG1-O 3.33Å; M443-M460 HydrophobicContact CE-CE 3.87Å; M443-M460 HydrophobicContact CG-CE 3.97Å; M443-M460 HydrophobicContact SD-CE 3.69Å; M443-I486 HydrophobicContact CE-CB 4.49Å; M443-I486 HydrophobicContact CE-CD1 3.92Å; M443-I486 HydrophobicContact CE-CG2 4.19Å; M443-I486 HydrophobicContact CG-CB 4.04Å; M443-I486 HydrophobicContact CG-CD1 4.16Å; M443-I486 HydrophobicContact CG-CG1 4.33Å; M443-I486 PolarHBondContact O-N 3.05Å
444	F	84.4	Confident	72.4	Confident	8 Å²	8	78.2 Å²	78.2	4%	0.035	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	153.8	167	-60.8	-75.7	0	0	0	110	W432 V434 V441 I461 H465 V483 L484 A485	W432-F444 AromaticContact CD1-CE1 3.96Å; W432-F444 HydrophobicContact CZ2-CB 4.33Å; W432-F444 AromaticContact CZ2-CD2 3.87Å; W432-F444 HydrophobicContact CZ2-CD2 3.87Å; W432-F444 HydrophobicContact CZ2-CE2 4.41Å; W432-F444 HydrophobicContact CZ2-CG 4.11Å; W432-F444 AromaticContact NE1-CD1 3.52Å; W432-F444 AromaticContact NE1-CD2 3.58Å; W432-F444 AromaticContact NE1-CE1 3.46Å; W432-F444 AromaticContact NE1-CE2 3.52Å; W432-F444 AromaticContact NE1-CG 3.59Å; W432-F444 AromaticContact NE1-CZ 3.47Å; V434-F444 HydrophobicContact CG2-CE1 3.67Å; V434-F444 HydrophobicContact CG2-CZ 3.74Å; V441-F444 HydrophobicContact CG1-CD1 4.2Å; V441-F444 HydrophobicContact CG1-CE1 3.84Å; V441-F444 HydrophobicContact CG1-CE2 4.4Å; V441-F444 HydrophobicContact CG1-CZ 3.95Å; F444-I461 HydrophobicContact CB-CB 4.16Å; F444-I461 PolarHBondContact N-O 3.06Å; F444-I461 PolarHBondContact O-N 3.3Å; F444-H465 VanDerWaalsContact CE2-O 3.32Å; F444-H465 WeakPolarHBondContact CE2-O 3.47Å; F444-V483 HydrophobicContact CD1-CG1 4.36Å; F444-L484 CarbonylContact C-O 3.56Å; F444-L484 VanDerWaalsContact CA-O 3.28Å; F444-L484 WeakPolarHBondContact CA-O 3.41Å; F444-A485 HydrophobicContact CD1-CB 4.07Å; F444-A485 HydrophobicContact CE1-CB 4.03Å
445	Q	86.5	Confident	72.2	Confident	37 Å²	37	79 Å²	79	17%	0.173	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	116.3	171.9	176.9	174.8	-36.6	0	0	107.7	Q447 M460 L484 I486	Q445-Q447 HydrophobicContact CG-CG 4.19Å; Q445-M460 HydrophobicContact CB-CE 4.08Å; Q445-M460 HydrophobicContact CB-SD 4.03Å; Q445-M460 HydrophobicContact CG-CE 4.48Å; Q445-M460 HydrophobicContact CG-SD 3.86Å; Q445-L484 HydrophobicContact CB-CB 4.41Å; Q445-L484 PolarHBondContact N-O 2.93Å; Q445-L484 PolarHBondContact O-N 3.47Å; Q445-I486 HydrophobicContact CB-CD1 4.11Å
446	L	88	Confident	72.9	Confident	1 Å²	1	79.6 Å²	79.6	1%	0.005	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	135.2	170.7	-163.5	69.4	0	0	0	107.9	V430 Y448 Y458 R459 I461 F468 V470 L481 V483	V430-L446 HydrophobicContact CG1-CD1 4.39Å; L446-Y448 HydrophobicContact CD2-CD1 4.42Å; L446-Y448 HydrophobicContact CG-CD1 4.46Å; L446-Y458 CarbonylContact O-C 3.48Å; L446-Y458 WeakPolarHBondContact O-CA 3.28Å; L446-Y458 WeakPolarHBondContact O-CB 3.32Å; L446-R459 HydrophobicContact CB-CB 4.46Å; L446-R459 PolarHBondContact N-O 3.39Å; L446-R459 PolarHBondContact O-N 3.49Å; L446-I461 HydrophobicContact CB-CD1 3.83Å; L446-I461 HydrophobicContact CD2-CD1 4.25Å; L446-F468 HydrophobicContact CD2-CD1 3.78Å; L446-F468 HydrophobicContact CD2-CE1 4.23Å; L446-V470 HydrophobicContact CD2-CG2 3.64Å; L446-L481 HydrophobicContact CD1-CD1 4.07Å; L446-L481 HydrophobicContact CD1-CD2 3.87Å; L446-L481 HydrophobicContact CD1-CG 4.09Å; L446-L481 HydrophobicContact CD2-CD1 4.36Å; L446-L481 HydrophobicContact CG-CD1 4.27Å; L446-V483 HydrophobicContact CD1-CG2 3.72Å
447	Q	88.6	Confident	74	Confident	45 Å²	45	71.6 Å²	71.6	21%	0.21	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136.3	172.1	-64.6	-171.3	-60	0	0	109.4	Q445 L456 I457 L481 C482 L484	Q445-Q447 HydrophobicContact CG-CG 4.19Å; Q447-L456 HydrophobicContact CB-CD1 4.19Å; Q447-L456 HydrophobicContact CB-CG 4.43Å; Q447-I457 CarbonylContact C-O 3.56Å; Q447-I457 WeakPolarHBondContact CA-O 3.41Å; Q447-L481 CarbonylContact O-C 3.15Å; Q447-L481 WeakPolarHBondContact O-CA 3.29Å; Q447-C482 PolarHBondContact N-O 3.43Å; Q447-C482 PolarHBondContact O-N 2.92Å; Q447-L484 HydrophobicContact CB-CD1 4.43Å; Q447-L484 HydrophobicContact CG-CD1 3.9Å; Q447-L484 VanDerWaalsContact OE1-CD1 3.27Å
448	Y	87.3	Confident	75.4	Confident	9 Å²	9	69.3 Å²	69.3	4%	0.035	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	147	174.6	61.1	-81.7	0	0	0	112.3	L446 I457 V470 L473 Y479 D480	L446-Y448 HydrophobicContact CD2-CD1 4.42Å; L446-Y448 HydrophobicContact CG-CD1 4.46Å; Y448-I457 HydrophobicContact CD2-CB 4.42Å; Y448-I457 HydrophobicContact CE1-CB 4.2Å; Y448-I457 HydrophobicContact CE1-CG2 3.91Å; Y448-I457 HydrophobicContact CE2-CB 4.07Å; Y448-I457 HydrophobicContact CE2-CD1 3.93Å; Y448-I457 HydrophobicContact CE2-CG2 4.25Å; Y448-I457 PolarHBondContact N-O 2.88Å; Y448-I457 PolarHBondContact O-N 3.1Å; Y448-V470 HydrophobicContact CE1-CG1 3.9Å; Y448-V470 HydrophobicContact CE2-CG1 3.86Å; Y448-L473 HydrophobicContact CD2-CD2 4.42Å; Y448-L473 HydrophobicContact CE2-CD2 4.06Å; Y448-Y479 HydrophobicContact CD2-CD1 4.11Å; Y448-Y479 HydrophobicContact CD2-CE1 4.31Å; Y448-D480 VanDerWaalsContact CA-O 3.26Å; Y448-D480 WeakPolarHBondContact CA-O 3.29Å
449	N	87.2	Confident	76.6	Confident	53 Å²	53	67.9 Å²	67.9	28%	0.283	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	165.1	172.1	71.8	-60.9	0	0	0	110.6	L456 Y479 D480	N449-L456 HydrophobicContact CB-CD1 4.11Å; N449-Y479 WeakPolarHBondContact O-CA 3.09Å; N449-Y479 VanDerWaalsContact O-CD1 3.27Å; N449-Y479 WeakPolarHBondContact O-CD1 3.47Å; N449-D480 PolarHBondContact N-O 2.82Å; N449-D480 PolarHBondContact O-N 3.49Å
450	C	82.2	Confident	77.7	Confident	13 Å²	13	66.9 Å²	66.9	9%	0.088	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	152.2	177.4	-179.6	0	0	0	0	109.8	D452 D453 Y479	C450-D452 PolarHBondContact O-N 3Å; C450-D453 HydrophobicContact CB-CB 3.82Å; C450-D453 PolarHBondContact O-N 2.85Å; C450-D453 VanDerWaalsContact O-N 3.16Å; C450-D453 VanDerWaalsContact O-O 3.09Å; C450-Y479 HydrophobicContact CB-CD1 4.33Å; C450-Y479 HydrophobicContact CB-CE1 3.81Å
451	S	75.1	Confident	78.5	Confident	91 Å²	91	57.6 Å²	57.6	64%	0.636	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-17	179.5	-169.6	0	0	0	0	115.4	Q478	S451-Q478 PolarHBondContact N-O 2.78Å
452	D	65.2	Low	78.8	Confident	145 Å²	145	58.1 Å²	58.1	78%	0.775	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	-3.8	175.7	-96.6	-13.6	0	0	0	113.1	C450 M477	C450-D452 PolarHBondContact O-N 3Å; D452-M477 HydrophobicContact CB-CE 3.77Å; D452-M477 WeakPolarHBondContact OD2-CE 3.3Å
453	D	60.2	Low	78.8	Confident	96 Å²	96	61.9 Å²	61.9	51%	0.513	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	105.8	-167.2	-147.9	-8.3	0	0	0	110.1	C450 V455	C450-D453 HydrophobicContact CB-CB 3.82Å; C450-D453 PolarHBondContact O-N 2.85Å; C450-D453 VanDerWaalsContact O-N 3.16Å; C450-D453 VanDerWaalsContact O-O 3.09Å; D453-V455 PolarHBondContact O-N 3.28Å; D453-V455 VanDerWaalsContact O-N 3.08Å
454	E	60.1	Low	78.5	Confident	196 Å²	196	63 Å²	63	92%	0.916	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	-2.4	-174.7	-62.7	-170.5	147.4	0	0	113.8	L456	E454-L456 PolarHBondContact O-N 2.87Å
455	V	68.1	Low	78.2	Confident	64 Å²	64	65.2 Å²	65.2	39%	0.388	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	109.3	-179.6	-175.4	0	0	0	0	110.9	D453 I457	D453-V455 PolarHBondContact O-N 3.28Å; D453-V455 VanDerWaalsContact O-N 3.08Å; V455-I457 PolarHBondContact O-N 3.03Å
456	L	77.1	Confident	77.7	Confident	80 Å²	80	71.8 Å²	71.8	42%	0.419	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	98.2	176.5	-172.1	69.1	0	0	0	111.3	Q447 N449 E454	Q447-L456 HydrophobicContact CB-CD1 4.19Å; Q447-L456 HydrophobicContact CB-CG 4.43Å; N449-L456 HydrophobicContact CB-CD1 4.11Å; E454-L456 PolarHBondContact O-N 2.87Å
457	I	80	Confident	77.5	Confident	54 Å²	54	73.6 Å²	73.6	28%	0.277	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	132.9	176.6	-56	174.9	0	0	0	109.1	Q447 Y448 V455	Q447-I457 CarbonylContact C-O 3.56Å; Q447-I457 WeakPolarHBondContact CA-O 3.41Å; Y448-I457 HydrophobicContact CD2-CB 4.42Å; Y448-I457 HydrophobicContact CE1-CB 4.2Å; Y448-I457 HydrophobicContact CE1-CG2 3.91Å; Y448-I457 HydrophobicContact CE2-CB 4.07Å; Y448-I457 HydrophobicContact CE2-CD1 3.93Å; Y448-I457 HydrophobicContact CE2-CG2 4.25Å; Y448-I457 PolarHBondContact N-O 2.88Å; Y448-I457 PolarHBondContact O-N 3.1Å; V455-I457 PolarHBondContact O-N 3.03Å
458	Y	83.1	Confident	77.3	Confident	59 Å²	59	73.3 Å²	73.3	23%	0.231	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.9	173.2	64.2	-87.8	0	0	0	112.9	L446 M460 S786 V788	L446-Y458 CarbonylContact O-C 3.48Å; L446-Y458 WeakPolarHBondContact O-CA 3.28Å; L446-Y458 WeakPolarHBondContact O-CB 3.32Å; Y458-M460 HydrophobicContact CD2-SD 4.42Å; Y458-S786 VanDerWaalsContact CE1-O 3.31Å; Y458-S786 WeakPolarHBondContact CE1-O 3.41Å; Y458-S786 WeakPolarHBondContact OH-CB 3.25Å; Y458-S786 PolarHBondContact OH-OG 3.29Å; Y458-V788 HydrophobicContact CE1-CG2 3.8Å
459	R	81.4	Confident	77.3	Confident	22 Å²	22	76 Å²	76	8%	0.083	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.5	177.1	-73.1	-175.1	168.2	173.2	1.6	110.7	L446 E785	L446-R459 HydrophobicContact CB-CB 4.46Å; L446-R459 PolarHBondContact N-O 3.39Å; L446-R459 PolarHBondContact O-N 3.49Å; R459-E785 IonicContact CZ-OE1 2.72Å; R459-E785 IonicContact NE-OE1 3.27Å; R459-E785 PolarHBondContact NE-OE1 3.06Å; R459-E785 IonicContact NH2-OE1 2.66Å; R459-E785 PolarHBondContact NH2-OE1 3.39Å; R459-E785 IonicContact NH2-OE2 3.09Å
460	M	82.4	Confident	77.2	Confident	43 Å²	43	73.4 Å²	73.4	21%	0.212	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	124	177.5	-56.3	-50.7	-63	0	0	110	M443 Q445 Y458 I486	M443-M460 HydrophobicContact CE-CE 3.87Å; M443-M460 HydrophobicContact CG-CE 3.97Å; M443-M460 HydrophobicContact SD-CE 3.69Å; Q445-M460 HydrophobicContact CB-CE 4.08Å; Q445-M460 HydrophobicContact CB-SD 4.03Å; Q445-M460 HydrophobicContact CG-CE 4.48Å; Q445-M460 HydrophobicContact CG-SD 3.86Å; Y458-M460 HydrophobicContact CD2-SD 4.42Å; M460-I486 HydrophobicContact CE-CD1 3.83Å
461	I	83.1	Confident	77.3	Confident	5 Å²	5	74.9 Å²	74.9	3%	0.026	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.6	-173.2	-64.2	171	0	0	0	109.4	W432 F444 L446 H465 F468	W432-I461 HydrophobicContact CH2-CD1 3.89Å; W432-I461 HydrophobicContact CH2-CG2 3.99Å; W432-I461 HydrophobicContact CZ2-CG2 4Å; F444-I461 HydrophobicContact CB-CB 4.16Å; F444-I461 PolarHBondContact N-O 3.06Å; F444-I461 PolarHBondContact O-N 3.3Å; L446-I461 HydrophobicContact CB-CD1 3.83Å; L446-I461 HydrophobicContact CD2-CD1 4.25Å; I461-H465 HydrophobicContact CG2-CB 3.67Å; I461-F468 HydrophobicContact CD1-CB 3.73Å; I461-F468 HydrophobicContact CD1-CD1 4.11Å; I461-F468 HydrophobicContact CD1-CD2 3.91Å; I461-F468 HydrophobicContact CD1-CG 3.65Å; I461-F468 HydrophobicContact CG1-CD2 4.05Å; I461-F468 HydrophobicContact CG1-CE2 4.42Å; I461-F468 HydrophobicContact CG1-CG 4.3Å
462	P	79.8	Confident	77.5	Confident	35 Å²	35	77.3 Å²	77.3	23%	0.227	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	146.5	178.7	-27.1	37.2	0	0	0	113.7	T464 H465 E781	P462-T464 WeakPolarHBondContact CB-OG1 3.44Å; P462-T464 PolarHBondContact O-N 3.05Å; P462-H465 PolarHBondContact O-N 2.85Å; P462-E781 WeakPolarHBondContact CB-OE1 3.34Å; P462-E781 HydrophobicContact CG-CB 4.42Å; P462-E781 VanDerWaalsContact CG-CD 3.5Å; P462-E781 HydrophobicContact CG-CG 4.06Å; P462-E781 WeakPolarHBondContact CG-OE1 3.49Å
463	R	74.6	Confident	78.3	Confident	176 Å²	176	70.7 Å²	70.7	66%	0.664	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-18.7	-179.3	68.7	-178.7	-172.6	-137.4	-6.4	115.5	H465	R463-H465 VanDerWaalsContact C-N 3.34Å
464	T	74.4	Confident	79.4	Confident	92 Å²	92	69.7 Å²	69.7	56%	0.564	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-33	176.9	38.5	0	0	0	0	111.8	P462 E781	P462-T464 WeakPolarHBondContact CB-OG1 3.44Å; P462-T464 PolarHBondContact O-N 3.05Å; T464-E781 PolarHBondContact OG1-OE1 2.84Å; T464-E781 VanDerWaalsContact OG1-OE1 3.05Å
465	H	77.7	Confident	80.6	Confident	53 Å²	53	62.9 Å²	62.9	25%	0.245	32%	0.321	C	S	.	.			trans	-89	139.3	-173.8	-68.7	77.1	0	0	0	111.8	W432 F444 I461 P462 R463 E781	W432-H465 WeakPolarHBondContact CZ2-O 3.41Å; F444-H465 VanDerWaalsContact CE2-O 3.32Å; F444-H465 WeakPolarHBondContact CE2-O 3.47Å; I461-H465 HydrophobicContact CG2-CB 3.67Å; P462-H465 PolarHBondContact O-N 2.85Å; R463-H465 VanDerWaalsContact C-N 3.34Å; H465-E781 IonicContact CE1-OE2 3.35Å; H465-E781 PolarHBondContact CE1-OE2 3.27Å; H465-E781 VanDerWaalsContact CE1-OE2 3.27Å; H465-E781 IonicContact ND1-OE2 2.8Å
466	R	77.1	Confident	81.3	Confident	176 Å²	176	61.3 Å²	61.3	66%	0.664	32%	0.318	S	S	*	.	S	Bend	trans	-122.4	4.6	172.2	-63.5	-174.3	-175.2	170.9	4.3	113	K431 W432	K431-R466 WeakPolarHBondContact CA-O 3.32Å; W432-R466 PolarHBondContact N-O 2.99Å
467	A	82.1	Confident	81.6	Confident	39 Å²	39	59.5 Å²	59.5	32%	0.322	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	149.2	179.1	0	0	0	0	0	109	L429 V430 K431	L429-A467 HydrophobicContact CD1-CB 4.21Å; V430-A467 CarbonylContact O-C 3.6Å; V430-A467 WeakPolarHBondContact O-CA 3.36Å; K431-A467 HydrophobicContact CG-CB 3.87Å
468	F	85.5	Confident	82	Confident	38 Å²	38	60.7 Å²	60.7	17%	0.167	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	133.6	179.5	-175.1	-95.7	0	0	0	110.9	V430 W432 L446 I461 V470	V430-F468 PolarHBondContact N-O 3.21Å; V430-F468 PolarHBondContact O-N 2.88Å; W432-F468 HydrophobicContact CH2-CB 3.96Å; W432-F468 HydrophobicContact CZ3-CB 3.96Å; L446-F468 HydrophobicContact CD2-CD1 3.78Å; L446-F468 HydrophobicContact CD2-CE1 4.23Å; I461-F468 HydrophobicContact CD1-CB 3.73Å; I461-F468 HydrophobicContact CD1-CD1 4.11Å; I461-F468 HydrophobicContact CD1-CD2 3.91Å; I461-F468 HydrophobicContact CD1-CG 3.65Å; I461-F468 HydrophobicContact CG1-CD2 4.05Å; I461-F468 HydrophobicContact CG1-CE2 4.42Å; I461-F468 HydrophobicContact CG1-CG 4.3Å; F468-V470 HydrophobicContact CD1-CG2 4.15Å; F468-V470 HydrophobicContact CE1-CG2 4.39Å
469	V	86.5	Confident	82.2	Confident	65 Å²	65	58.4 Å²	58.4	39%	0.394	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	113	173.6	-174.4	0	0	0	0	108.7	L429 T471	L429-V469 HydrophobicContact CB-CG2 4.44Å; L429-V469 HydrophobicContact CD1-CG2 3.77Å; V469-T471 HydrophobicContact CG1-CG2 3.86Å
470	V	85.8	Confident	82.5	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	139.1	164.8	-168.6	0	0	0	0	108.1	S427 A428 V430 L446 Y448 F468 L473 L481	S427-V470 CarbonylContact C-O 3.52Å; S427-V470 WeakPolarHBondContact CA-O 3.47Å; S427-V470 VanDerWaalsContact CB-O 3.31Å; S427-V470 WeakPolarHBondContact CB-O 3.43Å; A428-V470 PolarHBondContact N-O 3.26Å; A428-V470 PolarHBondContact O-N 3.12Å; V430-V470 HydrophobicContact CG2-CG2 3.98Å; L446-V470 HydrophobicContact CD2-CG2 3.64Å; Y448-V470 HydrophobicContact CE1-CG1 3.9Å; Y448-V470 HydrophobicContact CE2-CG1 3.86Å; F468-V470 HydrophobicContact CD1-CG2 4.15Å; F468-V470 HydrophobicContact CE1-CG2 4.39Å; V470-L473 HydrophobicContact CG1-CD2 3.66Å; V470-L473 HydrophobicContact CG1-CG 4.16Å; V470-L481 HydrophobicContact CG2-CD1 4.27Å
471	T	83.9	Confident	82.8	Confident	44 Å²	44	58.4 Å²	58.4	27%	0.27	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	162.2	-175.3	53.4	0	0	0	0	110.1	I426 V469 L473	I426-T471 CarbonylContact O-C 3.51Å; I426-T471 WeakPolarHBondContact O-CA 3.15Å; V469-T471 HydrophobicContact CG1-CG2 3.86Å; T471-L473 VanDerWaalsContact C-N 3.31Å
472	N	79.4	Confident	83.1	Confident	141 Å²	141	59.9 Å²	59.9	75%	0.754	32%	0.316	S	S	*	.	S	Bend	trans	62.2	36.1	-173.9	-49.7	-24.8	0	0	0	112.8	I426	I426-N472 PolarHBondContact O-N 2.68Å
473	L	83	Confident	83.4	Confident	7 Å²	7	58.2 Å²	58.2	4%	0.037	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-72.6	158	167.8	-58.2	176.9	0	0	0	110.5	I426 A428 Y448 V470 T471 Y479 F505 T507	I426-L473 PolarHBondContact O-N 3.47Å; A428-L473 HydrophobicContact CB-CD1 3.92Å; Y448-L473 HydrophobicContact CD2-CD2 4.42Å; Y448-L473 HydrophobicContact CE2-CD2 4.06Å; V470-L473 HydrophobicContact CG1-CD2 3.66Å; V470-L473 HydrophobicContact CG1-CG 4.16Å; T471-L473 VanDerWaalsContact C-N 3.31Å; L473-Y479 HydrophobicContact CB-CE2 4.02Å; L473-Y479 HydrophobicContact CD2-CD1 4.2Å; L473-Y479 HydrophobicContact CD2-CD2 4.39Å; L473-Y479 HydrophobicContact CD2-CE1 3.84Å; L473-Y479 HydrophobicContact CD2-CE2 4.03Å; L473-Y479 HydrophobicContact CD2-CG 4.47Å; L473-Y479 HydrophobicContact CG-CE2 4.46Å; L473-F505 HydrophobicContact CD1-CE2 3.79Å; L473-F505 HydrophobicContact CD1-CZ 3.94Å; L473-T507 HydrophobicContact CB-CG2 3.79Å; L473-T507 HydrophobicContact CD1-CG2 3.76Å; L473-T507 HydrophobicContact CG-CG2 4.42Å
474	V	82.5	Confident	83.9	Confident	75 Å²	75	50.7 Å²	50.7	46%	0.455	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-88.3	133.6	175.7	-176.3	0	0	0	0	109.1	A425 M477 Y479 T507	A425-V474 CarbonylContact O-C 3.16Å; V474-M477 HydrophobicContact CB-CB 4.41Å; V474-M477 HydrophobicContact CB-CG 3.71Å; V474-M477 HydrophobicContact CG1-CG 3.54Å; V474-Y479 PolarHBondContact N-OH 2.94Å; V474-T507 WeakPolarHBondContact O-CB 3.45Å; V474-T507 PolarHBondContact O-OG1 2.79Å
475	P	84.8	Confident	84.3	Confident	52 Å²	52	46.4 Å²	46.4	34%	0.338	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	142.8	177.1	-24.3	34.5	0	0	0	113.6	A425 I426 M477 D510	A425-P475 HydrophobicContact CB-CB 3.94Å; A425-P475 HydrophobicContact CB-CG 3.99Å; A425-P475 WeakPolarHBondContact O-CA 3.42Å; I426-P475 HydrophobicContact CG2-CG 4.47Å; P475-M477 VanDerWaalsContact C-N 3.27Å; P475-M477 PolarHBondContact O-N 2.85Å; P475-D510 HydrophobicContact CB-CB 4.49Å
476	G	82.2	Confident	84.4	Confident	32 Å²	32	44.2 Å²	44.2	33%	0.33	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	8.4	175.2	0	0	0	0	0	116.4	T507 T508	G476-T507 PolarHBondContact N-OG1 3.28Å; G476-T508 PolarHBondContact N-O 2.78Å
477	M	84	Confident	84.4	Confident	42 Å²	42	37.9 Å²	37.9	21%	0.207	22%	0.218	C	C	.	.			trans	-102.3	146.4	-173.8	-57.9	-53.8	-76.2	0	0	112.7	D452 V474 P475 Y479 V506 T507	D452-M477 HydrophobicContact CB-CE 3.77Å; D452-M477 WeakPolarHBondContact OD2-CE 3.3Å; V474-M477 HydrophobicContact CB-CB 4.41Å; V474-M477 HydrophobicContact CB-CG 3.71Å; V474-M477 HydrophobicContact CG1-CG 3.54Å; P475-M477 VanDerWaalsContact C-N 3.27Å; P475-M477 PolarHBondContact O-N 2.85Å; M477-Y479 HydrophobicContact CB-CE2 3.98Å; M477-V506 WeakPolarHBondContact O-CA 3.17Å; M477-T507 PolarHBondContact N-OG1 3.04Å; M477-T507 PolarHBondContact O-N 3.44Å; M477-T507 PolarHBondContact O-OG1 3.02Å
478	Q	88.6	Confident	83.5	Confident	78 Å²	78	39.8 Å²	39.8	36%	0.364	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.6	169.2	-179.1	172.9	-31.9	0	0	110.9	S451 D480 V506	S451-Q478 PolarHBondContact N-O 2.78Å; Q478-D480 PolarHBondContact NE2-OD1 3.17Å; Q478-V506 HydrophobicContact CB-CG2 4.1Å; Q478-V506 HydrophobicContact CG-CG2 4.23Å
479	Y	87.3	Confident	82.4	Confident	12 Å²	12	40.3 Å²	40.3	5%	0.047	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.2	175.3	-75.5	-85.2	0	0	0	111.1	Y448 N449 C450 L473 V474 M477 Q504 F505 T507	Y448-Y479 HydrophobicContact CD2-CD1 4.11Å; Y448-Y479 HydrophobicContact CD2-CE1 4.31Å; N449-Y479 WeakPolarHBondContact O-CA 3.09Å; N449-Y479 VanDerWaalsContact O-CD1 3.27Å; N449-Y479 WeakPolarHBondContact O-CD1 3.47Å; C450-Y479 HydrophobicContact CB-CD1 4.33Å; C450-Y479 HydrophobicContact CB-CE1 3.81Å; L473-Y479 HydrophobicContact CB-CE2 4.02Å; L473-Y479 HydrophobicContact CD2-CD1 4.2Å; L473-Y479 HydrophobicContact CD2-CD2 4.39Å; L473-Y479 HydrophobicContact CD2-CE1 3.84Å; L473-Y479 HydrophobicContact CD2-CE2 4.03Å; L473-Y479 HydrophobicContact CD2-CG 4.47Å; L473-Y479 HydrophobicContact CG-CE2 4.46Å; V474-Y479 PolarHBondContact N-OH 2.94Å; M477-Y479 HydrophobicContact CB-CE2 3.98Å; Y479-Q504 WeakPolarHBondContact O-CA 3.44Å; Y479-F505 HydrophobicContact CD2-CE2 4.37Å; Y479-F505 HydrophobicContact CD2-CZ 4.42Å; Y479-F505 HydrophobicContact CG-CZ 4.18Å; Y479-F505 PolarHBondContact N-O 3.41Å; Y479-F505 PolarHBondContact O-N 3.22Å; Y479-T507 HydrophobicContact CD2-CG2 4.04Å; Y479-T507 HydrophobicContact CE2-CG2 3.9Å
480	D	88.3	Confident	81.1	Confident	63 Å²	63	44.3 Å²	44.3	34%	0.337	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.3	169.3	-79.2	20.4	0	0	0	108	Y448 N449 Q478 Q504	Y448-D480 VanDerWaalsContact CA-O 3.26Å; Y448-D480 WeakPolarHBondContact CA-O 3.29Å; N449-D480 PolarHBondContact N-O 2.82Å; N449-D480 PolarHBondContact O-N 3.49Å; Q478-D480 PolarHBondContact NE2-OD1 3.17Å; D480-Q504 VanDerWaalsContact OD1-CG 3.25Å; D480-Q504 WeakPolarHBondContact OD1-CG 3.32Å; D480-Q504 PolarHBondContact OD1-NE2 2.99Å; D480-Q504 PolarHBondContact OD2-NE2 3.01Å
481	L	89.3	Confident	79.7	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.8	-171.3	178.4	147.6	0	0	0	111.8	V430 L446 Q447 V470 V483 C502 I503 F505	V430-L481 HydrophobicContact CG1-CD2 3.91Å; V430-L481 HydrophobicContact CG2-CD1 3.72Å; V430-L481 HydrophobicContact CG2-CD2 4.23Å; L446-L481 HydrophobicContact CD1-CD1 4.07Å; L446-L481 HydrophobicContact CD1-CD2 3.87Å; L446-L481 HydrophobicContact CD1-CG 4.09Å; L446-L481 HydrophobicContact CD2-CD1 4.36Å; L446-L481 HydrophobicContact CG-CD1 4.27Å; Q447-L481 CarbonylContact O-C 3.15Å; Q447-L481 WeakPolarHBondContact O-CA 3.29Å; V470-L481 HydrophobicContact CG2-CD1 4.27Å; L481-V483 HydrophobicContact CD2-CG2 4.39Å; L481-C502 CarbonylContact O-C 3.55Å; L481-C502 WeakPolarHBondContact O-CA 3.45Å; L481-C502 WeakPolarHBondContact O-CB 3.47Å; L481-I503 HydrophobicContact CD2-CG2 3.93Å; L481-I503 PolarHBondContact N-O 3.28Å; L481-I503 PolarHBondContact O-N 2.8Å; L481-F505 HydrophobicContact CB-CE1 4.06Å; L481-F505 HydrophobicContact CD1-CE1 4.01Å
482	C	87.8	Confident	78.4	Confident	35 Å²	35	49.9 Å²	49.9	24%	0.236	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.7	175.7	-68.3	0	0	0	0	111.6	Q447 L484 C502	Q447-C482 PolarHBondContact N-O 3.43Å; Q447-C482 PolarHBondContact O-N 2.92Å; C482-L484 HydrophobicContact CB-CD1 4.29Å; C482-C502 HydrophobicContact CB-CB 4.09Å; C482-C502 WeakPolarHBondContact CB-SG 3.39Å; C482-C502 WeakPolarHBondContact SG-CB 3.37Å; C482-C502 CovalentContact SG-SG 2.04Å; C482-C502 PolarHBondContact SG-SG 2.88Å
483	V	86.1	Confident	77.3	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.2	167.6	-178.6	0	0	0	0	108.3	V418 V430 W432 F444 L446 L481 V500 G501	V418-V483 HydrophobicContact CG1-CG2 3.75Å; V418-V483 HydrophobicContact CG2-CB 4.01Å; V418-V483 HydrophobicContact CG2-CG2 3.98Å; V430-V483 HydrophobicContact CG1-CG2 4.27Å; W432-V483 HydrophobicContact CD2-CG1 4.07Å; W432-V483 HydrophobicContact CD2-CG2 4.38Å; W432-V483 HydrophobicContact CE3-CG2 4.28Å; W432-V483 HydrophobicContact CG-CG1 3.98Å; W432-V483 HydrophobicContact CG-CG2 4.5Å; F444-V483 HydrophobicContact CD1-CG1 4.36Å; L446-V483 HydrophobicContact CD1-CG2 3.72Å; L481-V483 HydrophobicContact CD2-CG2 4.39Å; V483-V500 HydrophobicContact CB-CB 4.2Å; V483-V500 HydrophobicContact CG1-CB 4.05Å; V483-V500 HydrophobicContact CG1-CG1 4.49Å; V483-V500 HydrophobicContact CG1-CG2 4.22Å; V483-V500 WeakPolarHBondContact O-CB 3.3Å; V483-V500 PolarHBondContact O-N 2.81Å; V483-G501 PolarHBondContact N-O 3.04Å; V483-G501 PolarHBondContact O-N 2.84Å
484	L	85.9	Confident	76	Confident	17 Å²	17	55.4 Å²	55.4	9%	0.089	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	143.2	172.8	-58.1	91.8	0	0	0	110.3	F444 Q445 Q447 C482 N498 I499	F444-L484 CarbonylContact C-O 3.56Å; F444-L484 VanDerWaalsContact CA-O 3.28Å; F444-L484 WeakPolarHBondContact CA-O 3.41Å; Q445-L484 HydrophobicContact CB-CB 4.41Å; Q445-L484 PolarHBondContact N-O 2.93Å; Q445-L484 PolarHBondContact O-N 3.47Å; Q447-L484 HydrophobicContact CB-CD1 4.43Å; Q447-L484 HydrophobicContact CG-CD1 3.9Å; Q447-L484 VanDerWaalsContact OE1-CD1 3.27Å; C482-L484 HydrophobicContact CB-CD1 4.29Å; L484-N498 CarbonylContact C-O 3.58Å; L484-N498 VanDerWaalsContact CA-O 3.29Å; L484-N498 WeakPolarHBondContact CA-O 3.45Å; L484-I499 HydrophobicContact CD2-CG1 3.98Å; L484-I499 HydrophobicContact CG-CG1 4.18Å
485	A	82.2	Confident	75.2	Confident	3 Å²	3	55.9 Å²	55.9	3%	0.025	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136.2	170.7	0	0	0	0	0	109.4	V441 F444 W487 T497 N498 V500	V441-A485 HydrophobicContact CG1-CB 4.09Å; V441-A485 HydrophobicContact CG2-CB 4.09Å; F444-A485 HydrophobicContact CD1-CB 4.07Å; F444-A485 HydrophobicContact CE1-CB 4.03Å; A485-W487 HydrophobicContact CB-CE3 4.36Å; A485-W487 HydrophobicContact CB-CZ3 4.39Å; A485-T497 WeakPolarHBondContact O-CA 3.26Å; A485-N498 PolarHBondContact N-O 3.47Å; A485-N498 PolarHBondContact O-N 3.38Å; A485-V500 HydrophobicContact CB-CG2 3.58Å
486	I	80.5	Confident	74.6	Confident	7 Å²	7	55.2 Å²	55.2	4%	0.036	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.3	178.5	-47.8	-168	0	0	0	108.7	K442 M443 Q445 M460 A496 T497	K442-I486 WeakPolarHBondContact CB-O 3.21Å; K442-I486 PolarHBondContact N-O 3.19Å; M443-I486 HydrophobicContact CE-CB 4.49Å; M443-I486 HydrophobicContact CE-CD1 3.92Å; M443-I486 HydrophobicContact CE-CG2 4.19Å; M443-I486 HydrophobicContact CG-CB 4.04Å; M443-I486 HydrophobicContact CG-CD1 4.16Å; M443-I486 HydrophobicContact CG-CG1 4.33Å; M443-I486 PolarHBondContact O-N 3.05Å; Q445-I486 HydrophobicContact CB-CD1 4.11Å; M460-I486 HydrophobicContact CE-CD1 3.83Å; I486-A496 WeakPolarHBondContact CA-O 3.11Å; I486-T497 HydrophobicContact CD1-CG2 4.01Å; I486-T497 HydrophobicContact CG1-CG2 3.93Å; I486-T497 HydrophobicContact CG2-CG2 4.26Å
487	W	76.5	Confident	74.3	Confident	42 Å²	42	57.8 Å²	57.8	16%	0.159	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.7	177.8	56.3	66.3	0	0	0	111.7	T438 P439 A485 A496 N498	T438-W487 HydrophobicContact CG2-CZ3 4.25Å; P439-W487 HydrophobicContact CG-CB 4.15Å; P439-W487 HydrophobicContact CG-CD2 3.5Å; P439-W487 VanDerWaalsContact CG-CD2 3.5Å; P439-W487 HydrophobicContact CG-CE3 3.9Å; P439-W487 HydrophobicContact CG-CG 3.62Å; P439-W487 HydrophobicContact CG-CZ2 4.28Å; P439-W487 HydrophobicContact CG-CZ3 4.43Å; A485-W487 HydrophobicContact CB-CE3 4.36Å; A485-W487 HydrophobicContact CB-CZ3 4.39Å; W487-A496 PolarHBondContact N-O 3.27Å; W487-A496 PolarHBondContact O-N 3.01Å; W487-N498 HydrophobicContact CH2-CB 3.53Å; W487-N498 HydrophobicContact CZ2-CB 3.91Å; W487-N498 HydrophobicContact CZ3-CB 4.08Å
488	D	64.4	Low	74	Confident	79 Å²	79	60 Å²	60	42%	0.422	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	119.4	170.7	-64.2	-30.9	0	0	0	108.4	K442 T490	K442-D488 VanDerWaalsContact CD-OD1 3.3Å; K442-D488 WeakPolarHBondContact CD-OD1 3.41Å; K442-D488 WeakPolarHBondContact CD-OD2 3.04Å; K442-D488 IonicContact NZ-OD1 3.4Å; K442-D488 PolarHBondContact NZ-OD1 2.81Å; K442-D488 IonicContact NZ-OD2 2.94Å; K442-D488 PolarHBondContact NZ-OD2 3.38Å; D488-T490 PolarHBondContact O-N 2.78Å
489	D	62.3	Low	73.6	Confident	49 Å²	49	61.1 Å²	61.1	26%	0.262	36%	0.361	S	S	.	.			trans	-76.7	120.2	173.8	172.6	30.7	0	0	0	110.8	A491 T492 T493 L494	D489-A491 PolarHBondContact O-N 2.92Å; D489-A491 PolarHBondContact OD1-N 3.25Å; D489-T492 PolarHBondContact O-N 3.36Å; D489-T492 WeakPolarHBondContact OD2-CB 3.04Å; D489-T492 VanDerWaalsContact OD2-CG2 3.29Å; D489-T492 WeakPolarHBondContact OD2-CG2 3.41Å; D489-T492 PolarHBondContact OD2-N 2.95Å; D489-T492 VanDerWaalsContact OD2-N 3.08Å; D489-T492 PolarHBondContact OD2-OG1 3.3Å; D489-T493 PolarHBondContact O-N 3.32Å; D489-L494 PolarHBondContact N-O 3.17Å
490	T	57.8	Low	73.3	Confident	150 Å²	150	61.9 Å²	61.9	92%	0.92	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.2	177.1	46.8	0	0	0	0	114.2	D488	D488-T490 PolarHBondContact O-N 2.78Å
491	A	56.3	Low	73	Confident	85 Å²	85	59.7 Å²	59.7	70%	0.702	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-28.8	178	0	0	0	0	0	114.4	D489	D489-A491 PolarHBondContact O-N 2.92Å; D489-A491 PolarHBondContact OD1-N 3.25Å
492	T	57.3	Low	72.9	Confident	76 Å²	76	63 Å²	63	47%	0.466	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-4.7	-168.8	61.2	0	0	0	0	116.5	D489 L494	D489-T492 PolarHBondContact O-N 3.36Å; D489-T492 WeakPolarHBondContact OD2-CB 3.04Å; D489-T492 VanDerWaalsContact OD2-CG2 3.29Å; D489-T492 WeakPolarHBondContact OD2-CG2 3.41Å; D489-T492 PolarHBondContact OD2-N 2.95Å; D489-T492 VanDerWaalsContact OD2-N 3.08Å; D489-T492 PolarHBondContact OD2-OG1 3.3Å; T492-L494 PolarHBondContact O-N 2.83Å
493	T	56.9	Low	72.8	Confident	140 Å²	140	62.7 Å²	62.7	86%	0.859	38%	0.378	S	S	*	.	S	Bend	trans	57	6.5	-174	68.7	0	0	0	0	116.3	D489	D489-T493 PolarHBondContact O-N 3.32Å
494	L	55.9	Low	72.9	Confident	123 Å²	123	68.6 Å²	68.6	64%	0.644	41%	0.405	S	S	*	.	S	Bend	trans	-90.4	148.6	172.5	-65.3	171.2	0	0	0	110.7	D489 T492 A496	D489-L494 PolarHBondContact N-O 3.17Å; T492-L494 PolarHBondContact O-N 2.83Å; L494-A496 PolarHBondContact O-N 2.85Å
495	T	65.8	Low	73	Confident	86 Å²	86	68.7 Å²	68.7	53%	0.528	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	112.6	172	49.1	0	0	0	0	109.7
496	A	70.8	Confident	73.2	Confident	38 Å²	38	72.6 Å²	72.6	31%	0.314	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	138.1	176	0	0	0	0	0	110.5	I486 W487 L494	I486-A496 WeakPolarHBondContact CA-O 3.11Å; W487-A496 PolarHBondContact N-O 3.27Å; W487-A496 PolarHBondContact O-N 3.01Å; L494-A496 PolarHBondContact O-N 2.85Å
497	T	75.9	Confident	73.5	Confident	86 Å²	86	72.5 Å²	72.5	53%	0.528	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.5	176.9	60.3	0	0	0	0	109.4	A485 I486	A485-T497 WeakPolarHBondContact O-CA 3.26Å; I486-T497 HydrophobicContact CD1-CG2 4.01Å; I486-T497 HydrophobicContact CG1-CG2 3.93Å; I486-T497 HydrophobicContact CG2-CG2 4.26Å
498	N	77.4	Confident	73.8	Confident	88 Å²	88	74.1 Å²	74.1	47%	0.471	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	145.1	174.3	-162.8	-2.1	0	0	0	110.7	L484 A485 W487 V500	L484-N498 CarbonylContact C-O 3.58Å; L484-N498 VanDerWaalsContact CA-O 3.29Å; L484-N498 WeakPolarHBondContact CA-O 3.45Å; A485-N498 PolarHBondContact N-O 3.47Å; A485-N498 PolarHBondContact O-N 3.38Å; W487-N498 HydrophobicContact CH2-CB 3.53Å; W487-N498 HydrophobicContact CZ2-CB 3.91Å; W487-N498 HydrophobicContact CZ3-CB 4.08Å; N498-V500 PolarHBondContact O-N 2.85Å
499	I	80.5	Confident	74.5	Confident	102 Å²	102	77.3 Å²	77.3	52%	0.523	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	120.7	-177.8	-60.2	170.8	0	0	0	108.6	L484	L484-I499 HydrophobicContact CD2-CG1 3.98Å; L484-I499 HydrophobicContact CG-CG1 4.18Å
500	V	81.1	Confident	74.5	Confident	28 Å²	28	79.9 Å²	79.9	17%	0.17	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	-37.5	173.3	177.8	0	0	0	0	109.9	V417 V418 W432 V483 A485 N498	V417-V500 HydrophobicContact CG1-CG1 3.81Å; V417-V500 WeakPolarHBondContact CG1-O 3.45Å; V418-V500 HydrophobicContact CG2-CG1 4.09Å; W432-V500 HydrophobicContact CB-CG1 4.44Å; V483-V500 HydrophobicContact CB-CB 4.2Å; V483-V500 HydrophobicContact CG1-CB 4.05Å; V483-V500 HydrophobicContact CG1-CG1 4.49Å; V483-V500 HydrophobicContact CG1-CG2 4.22Å; V483-V500 WeakPolarHBondContact O-CB 3.3Å; V483-V500 PolarHBondContact O-N 2.81Å; A485-V500 HydrophobicContact CB-CG2 3.58Å; N498-V500 PolarHBondContact O-N 2.85Å
501	G	82.8	Confident	74.2	Confident	17 Å²	17	81.5 Å²	81.5	18%	0.175	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.9	164.6	171.1	0	0	0	0	0	111.5	V483	V483-G501 PolarHBondContact N-O 3.04Å; V483-G501 PolarHBondContact O-N 2.84Å
502	C	85.9	Confident	73.9	Confident	72 Å²	72	82.4 Å²	82.4	49%	0.486	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153.3	173.6	-55	0	0	0	0	110.4	L481 C482	L481-C502 CarbonylContact O-C 3.55Å; L481-C502 WeakPolarHBondContact O-CA 3.45Å; L481-C502 WeakPolarHBondContact O-CB 3.47Å; C482-C502 HydrophobicContact CB-CB 4.09Å; C482-C502 WeakPolarHBondContact CB-SG 3.39Å; C482-C502 WeakPolarHBondContact SG-CB 3.37Å; C482-C502 CovalentContact SG-SG 2.04Å; C482-C502 PolarHBondContact SG-SG 2.88Å
503	I	86.6	Confident	73.1	Confident	28 Å²	28	86.7 Å²	86.7	14%	0.144	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	136.7	-176.2	-175	158.8	0	0	0	109.8	V418 V420 L481	V418-I503 HydrophobicContact CG1-CG2 3.88Å; V420-I503 HydrophobicContact CG2-CD1 4.17Å; V420-I503 HydrophobicContact CG2-CG1 4.35Å; V420-I503 HydrophobicContact CG2-CG2 3.63Å; L481-I503 HydrophobicContact CD2-CG2 3.93Å; L481-I503 PolarHBondContact N-O 3.28Å; L481-I503 PolarHBondContact O-N 2.8Å
504	Q	88.6	Confident	72.4	Confident	125 Å²	125	86.2 Å²	86.2	58%	0.584	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	141.1	174.8	-50.9	-177.7	-69.7	0	0	108.8	Y479 D480	Y479-Q504 WeakPolarHBondContact O-CA 3.44Å; D480-Q504 VanDerWaalsContact OD1-CG 3.25Å; D480-Q504 WeakPolarHBondContact OD1-CG 3.32Å; D480-Q504 PolarHBondContact OD1-NE2 2.99Å; D480-Q504 PolarHBondContact OD2-NE2 3.01Å
505	F	86.9	Confident	71.5	Confident	19 Å²	19	87.7 Å²	87.7	8%	0.083	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	162.6	174	71.4	-81.9	0	0	0	111	V420 V423 A428 L473 Y479 L481 T507	V420-F505 HydrophobicContact CG1-CD1 4.42Å; V420-F505 HydrophobicContact CG1-CD2 4.44Å; V420-F505 HydrophobicContact CG1-CG 4.26Å; V420-F505 HydrophobicContact CG2-CD1 4.1Å; V423-F505 HydrophobicContact CG1-CD2 4.02Å; V423-F505 HydrophobicContact CG1-CE2 4.4Å; V423-F505 HydrophobicContact CG2-CD2 4.1Å; A428-F505 HydrophobicContact CB-CD2 4.24Å; A428-F505 HydrophobicContact CB-CE2 3.52Å; A428-F505 HydrophobicContact CB-CZ 3.84Å; L473-F505 HydrophobicContact CD1-CE2 3.79Å; L473-F505 HydrophobicContact CD1-CZ 3.94Å; Y479-F505 HydrophobicContact CD2-CE2 4.37Å; Y479-F505 HydrophobicContact CD2-CZ 4.42Å; Y479-F505 HydrophobicContact CG-CZ 4.18Å; Y479-F505 PolarHBondContact N-O 3.41Å; Y479-F505 PolarHBondContact O-N 3.22Å; L481-F505 HydrophobicContact CB-CE1 4.06Å; L481-F505 HydrophobicContact CD1-CE1 4.01Å; F505-T507 HydrophobicContact CE2-CG2 4.36Å
506	V	87.3	Confident	70.1	Confident	85 Å²	85	88.6 Å²	88.6	52%	0.515	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.4	-179.7	-174.1	0	0	0	0	108.1	V423 M477 Q478	V423-V506 WeakPolarHBondContact CG1-O 3.42Å; M477-V506 WeakPolarHBondContact O-CA 3.17Å; Q478-V506 HydrophobicContact CB-CG2 4.1Å; Q478-V506 HydrophobicContact CG-CG2 4.23Å
507	T	86.8	Confident	68.3	Low	5 Å²	5	94.8 Å²	94.8	3%	0.031	51%	0.514	C	S	.	.			trans	-71.7	150.3	175	49.3	0	0	0	0	110.9	T424 L473 V474 G476 M477 Y479 F505	T424-T507 WeakPolarHBondContact O-CA 3.11Å; T424-T507 WeakPolarHBondContact O-CB 3.41Å; L473-T507 HydrophobicContact CB-CG2 3.79Å; L473-T507 HydrophobicContact CD1-CG2 3.76Å; L473-T507 HydrophobicContact CG-CG2 4.42Å; V474-T507 WeakPolarHBondContact O-CB 3.45Å; V474-T507 PolarHBondContact O-OG1 2.79Å; G476-T507 PolarHBondContact N-OG1 3.28Å; M477-T507 PolarHBondContact N-OG1 3.04Å; M477-T507 PolarHBondContact O-N 3.44Å; M477-T507 PolarHBondContact O-OG1 3.02Å; Y479-T507 HydrophobicContact CD2-CG2 4.04Å; Y479-T507 HydrophobicContact CE2-CG2 3.9Å; F505-T507 HydrophobicContact CE2-CG2 4.36Å
508	T	83.3	Confident	66.3	Low	75 Å²	75	99.1 Å²	99.1	46%	0.46	53%	0.528	S	S	.	.			trans	-68.8	143.5	176.3	58.2	0	0	0	0	110.4	T424 A425 G476 D510	T424-T508 PolarHBondContact O-N 3.11Å; A425-T508 VanDerWaalsContact CA-O 3.25Å; A425-T508 WeakPolarHBondContact CA-O 3.26Å; A425-T508 WeakPolarHBondContact CB-O 3.4Å; A425-T508 PolarHBondContact N-OG1 2.97Å; G476-T508 PolarHBondContact N-O 2.78Å; T508-D510 PolarHBondContact O-N 2.69Å
509	E	78.5	Confident	64.5	Low	147 Å²	147	99.2 Å²	99.2	69%	0.687	54%	0.535	S	S	*	.			trans	-65.6	114.6	168.2	-68.5	178.3	-153.2	0	0	110	Y511	E509-Y511 HydrophobicContact CB-CD2 4.27Å; E509-Y511 WeakPolarHBondContact OE2-CE2 3.29Å
510	D	62.7	Low	62.8	Low	102 Å²	102	97.5 Å²	97.5	55%	0.545	54%	0.543	S	S	.	.			trans	-106.6	75.6	162.5	-174.7	19.4	0	0	0	108.1	A425 P475 T508 P512	A425-D510 HydrophobicContact CB-CB 3.32Å; P475-D510 HydrophobicContact CB-CB 4.49Å; T508-D510 PolarHBondContact O-N 2.69Å; D510-P512 VanDerWaalsContact O-CD 3.24Å; D510-P512 WeakPolarHBondContact O-CD 3.49Å
511	Y	51.6	Low	61.2	Low	184 Å²	184	105.1 Å²	105.1	72%	0.722	57%	0.574	S	S	*	*			trans	-64.8	115.3	155.3	-83.7	-84.7	0	0	0	106.8	E509 Q513	E509-Y511 HydrophobicContact CB-CD2 4.27Å; E509-Y511 WeakPolarHBondContact OE2-CE2 3.29Å; Y511-Q513 PolarHBondContact O-N 3.24Å
512	P	49.3	Very low	59.7	Low	105 Å²	105	111.4 Å²	111.4	68%	0.682	60%	0.601	S	S	*	*			trans	-57.3	117	165.7	25.4	-32.6	0	0	0	106	D510 C514	D510-P512 VanDerWaalsContact O-CD 3.24Å; D510-P512 WeakPolarHBondContact O-CD 3.49Å; P512-C514 PolarHBondContact O-N 2.88Å
513	Q	41.7	Very low	57.9	Low	165 Å²	165	109.8 Å²	109.8	77%	0.771	60%	0.596	S	S	*	*			trans	-52.2	114	178.7	-83.6	-166.9	-11.4	0	0	107.2	Y511 Q515	Y511-Q513 PolarHBondContact O-N 3.24Å; Q513-Q515 HydrophobicContact CB-CG 4.49Å; Q513-Q515 PolarHBondContact O-N 3.39Å
514	C	41.9	Very low	56.4	Low	130 Å²	130	110.7 Å²	110.7	88%	0.878	61%	0.612	S	S	*	*			trans	-73.6	75.2	178.7	-164.1	0	0	0	0	107.3	P512 S516	P512-C514 PolarHBondContact O-N 2.88Å; C514-S516 PolarHBondContact O-N 2.03Å
515	Q	36.4	Very low	55	Low	154 Å²	154	107.8 Å²	107.8	72%	0.72	60%	0.603	S	S	*	*			trans	-61	98.1	168.8	-70.7	-169	1.2	0	0	105.7	Q513 L517	Q513-Q515 HydrophobicContact CB-CG 4.49Å; Q513-Q515 PolarHBondContact O-N 3.39Å; Q515-L517 PolarHBondContact O-N 2.83Å
516	S	35.6	Very low	53.5	Low	106 Å²	106	112 Å²	112	74%	0.741	63%	0.625	S	S	*	*			trans	-31.5	114.8	159	175.4	0	0	0	0	107.9	C514 H518	C514-S516 PolarHBondContact O-N 2.03Å; S516-H518 VanDerWaalsContact C-N 3.28Å; S516-H518 PolarHBondContact O-N 2.9Å
517	L	33	Very low	52.5	Low	167 Å²	167	114 Å²	114	87%	0.874	63%	0.631	S	S	*	*			trans	-57.8	96.9	-177.9	-97	166.1	0	0	0	107.6	Q515 S519	Q515-L517 PolarHBondContact O-N 2.83Å; L517-S519 WeakPolarHBondContact O-CA 3.46Å; L517-S519 PolarHBondContact O-N 3.17Å
518	H	34.5	Very low	51.7	Low	178 Å²	178	120.1 Å²	120.1	82%	0.824	66%	0.663	S	S	*	*			trans	-56.6	113.8	-177	-176.5	86.5	0	0	0	106.8	S516 G520	S516-H518 VanDerWaalsContact C-N 3.28Å; S516-H518 PolarHBondContact O-N 2.9Å; H518-G520 PolarHBondContact O-N 3.15Å
519	S	40.1	Very low	51.2	Low	90 Å²	90	120.2 Å²	120.2	63%	0.629	66%	0.663	S	S	*	*			trans	-61.4	113.7	-153.8	43.6	0	0	0	0	110.3	L517 F521	L517-S519 WeakPolarHBondContact O-CA 3.46Å; L517-S519 PolarHBondContact O-N 3.17Å; S519-F521 VanDerWaalsContact C-N 3.34Å; S519-F521 PolarHBondContact O-N 3.29Å
520	G	45.4	Very low	51.2	Low	66 Å²	66	117.8 Å²	117.8	68%	0.68	65%	0.654	S	S	*	*			trans	-60.2	95.5	-179.8	0	0	0	0	0	110.1	H518 M522 G523	H518-G520 PolarHBondContact O-N 3.15Å; G520-M522 PolarHBondContact O-N 2.82Å; G520-G523 PolarHBondContact O-N 2.83Å
521	F	46.5	Very low	52	Low	187 Å²	187	114.5 Å²	114.5	82%	0.82	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	50.2	-170	-165.9	-99.3	0	0	0	112.2	S519	S519-F521 VanDerWaalsContact C-N 3.34Å; S519-F521 PolarHBondContact O-N 3.29Å
522	M	50.8	Low	53.6	Low	150 Å²	150	107.6 Å²	107.6	74%	0.739	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.9	-29	-179	-75	-95.9	-155.2	0	0	110.7	G520 T525 M526	G520-M522 PolarHBondContact O-N 2.82Å; M522-T525 PolarHBondContact O-OG1 2.97Å; M522-T525 VanDerWaalsContact O-OG1 3.08Å; M522-M526 WeakPolarHBondContact O-CG 3.48Å; M522-M526 PolarHBondContact O-N 3.42Å
523	G	48.2	Very low	55.5	Low	38 Å²	38	107.2 Å²	107.2	39%	0.392	62%	0.62	S	S	.	*	H	α-helix	trans	-67.1	-46.5	177.8	0	0	0	0	0	112.8	G520 T525 M526 I527	G520-G523 PolarHBondContact O-N 2.83Å; G523-T525 PolarHBondContact O-N 3.11Å; G523-M526 PolarHBondContact O-N 2.9Å; G523-I527 WeakPolarHBondContact O-CG1 3.26Å; G523-I527 PolarHBondContact O-N 2.84Å
524	G	56.3	Low	57.7	Low	46 Å²	46	103.7 Å²	103.7	47%	0.474	61%	0.605	S	S	.	*	H	α-helix	trans	-64.5	-37.6	-179.1	0	0	0	0	0	113.6	I527 L528	G524-I527 PolarHBondContact O-N 2.59Å; G524-L528 WeakPolarHBondContact O-CB 3.34Å; G524-L528 WeakPolarHBondContact O-CG 3.01Å; G524-L528 PolarHBondContact O-N 3.34Å
525	T	57.5	Low	59.9	Low	65 Å²	65	101.5 Å²	101.5	40%	0.399	59%	0.588	S	S	.	*	H	α-helix	trans	-70.7	-40	176	45.3	0	0	0	0	111.8	M522 G523 L528 V529	M522-T525 PolarHBondContact O-OG1 2.97Å; M522-T525 VanDerWaalsContact O-OG1 3.08Å; G523-T525 PolarHBondContact O-N 3.11Å; T525-L528 PolarHBondContact O-N 3.47Å; T525-V529 WeakPolarHBondContact O-CB 3.42Å; T525-V529 VanDerWaalsContact O-CG2 3.25Å; T525-V529 WeakPolarHBondContact O-CG2 3.13Å; T525-V529 PolarHBondContact O-N 3.13Å
526	M	55.3	Low	62.3	Low	108 Å²	108	96.6 Å²	96.6	53%	0.532	57%	0.573	S	S	.	*	H	α-helix	trans	-60.9	-44.9	171.7	-74.8	-69.4	105.2	0	0	112.2	M522 G523 V529 I530	M522-M526 WeakPolarHBondContact O-CG 3.48Å; M522-M526 PolarHBondContact O-N 3.42Å; G523-M526 PolarHBondContact O-N 2.9Å; M526-V529 PolarHBondContact O-N 3.32Å; M526-I530 WeakPolarHBondContact O-CB 3.31Å; M526-I530 VanDerWaalsContact O-CG1 3.25Å; M526-I530 WeakPolarHBondContact O-CG1 3.36Å; M526-I530 PolarHBondContact O-N 2.91Å
527	I	67.3	Low	64.9	Low	125 Å²	125	95.5 Å²	95.5	64%	0.641	56%	0.562	S	S	*	*	H	α-helix	trans	-64.3	-42.4	178.3	-68.8	166.3	0	0	0	111.3	G523 G524 G531	G523-I527 WeakPolarHBondContact O-CG1 3.26Å; G523-I527 PolarHBondContact O-N 2.84Å; G524-I527 PolarHBondContact O-N 2.59Å; I527-G531 PolarHBondContact O-N 3.46Å
528	L	70.3	Confident	67.5	Low	135 Å²	135	92 Å²	92	71%	0.707	54%	0.544	S	S	*	.	H	α-helix	trans	-67.4	-37.3	176.3	-75.3	170.3	0	0	0	113	G524 T525 G532	G524-L528 WeakPolarHBondContact O-CB 3.34Å; G524-L528 WeakPolarHBondContact O-CG 3.01Å; G524-L528 PolarHBondContact O-N 3.34Å; T525-L528 PolarHBondContact O-N 3.47Å; L528-G532 WeakPolarHBondContact O-CA 3.26Å; L528-G532 PolarHBondContact O-N 2.99Å
529	V	73.6	Confident	70	Confident	77 Å²	77	88.2 Å²	88.2	47%	0.467	53%	0.529	S	S	.	.	H	α-helix	trans	-69.7	-47.2	176.4	168	0	0	0	0	111.1	T525 M526 G532 I533	T525-V529 WeakPolarHBondContact O-CB 3.42Å; T525-V529 VanDerWaalsContact O-CG2 3.25Å; T525-V529 WeakPolarHBondContact O-CG2 3.13Å; T525-V529 PolarHBondContact O-N 3.13Å; M526-V529 PolarHBondContact O-N 3.32Å; V529-G532 PolarHBondContact O-N 3.21Å; V529-I533 HydrophobicContact CG1-CD1 3.79Å; V529-I533 WeakPolarHBondContact O-CB 3.26Å; V529-I533 WeakPolarHBondContact O-CD1 3.4Å; V529-I533 VanDerWaalsContact O-CG1 3.24Å; V529-I533 WeakPolarHBondContact O-CG1 3.39Å; V529-I533 PolarHBondContact O-N 3.18Å
530	I	78.4	Confident	72.4	Confident	96 Å²	96	88 Å²	88	49%	0.492	52%	0.524	S	S	.	.	H	α-helix	trans	-64.9	-46.6	178.9	-66.9	166.2	0	0	0	110.4	M526 G532 I533 I534	M526-I530 WeakPolarHBondContact O-CB 3.31Å; M526-I530 VanDerWaalsContact O-CG1 3.25Å; M526-I530 WeakPolarHBondContact O-CG1 3.36Å; M526-I530 PolarHBondContact O-N 2.91Å; I530-G532 PolarHBondContact O-N 2.79Å; I530-I533 PolarHBondContact O-N 3.47Å; I530-I534 HydrophobicContact CG2-CD1 3.91Å; I530-I534 VanDerWaalsContact O-CG1 3.31Å; I530-I534 WeakPolarHBondContact O-CG1 3.4Å; I530-I534 PolarHBondContact O-N 2.98Å
531	G	79.2	Confident	74.4	Confident	32 Å²	32	90.9 Å²	90.9	33%	0.33	52%	0.518	S	S	.	.	H	α-helix	trans	-60.7	-42.2	174.5	0	0	0	0	0	112.7	I527 I534 V535	I527-G531 PolarHBondContact O-N 3.46Å; G531-I534 PolarHBondContact O-N 3.5Å; G531-V535 WeakPolarHBondContact O-CG2 3.3Å; G531-V535 PolarHBondContact O-N 2.99Å
532	G	84.2	Confident	76.3	Confident	40 Å²	40	86.1 Å²	86.1	41%	0.412	50%	0.5	S	S	.	.	H	α-helix	trans	-62.3	-41.3	175.5	0	0	0	0	0	113.2	L528 V529 I530 V535 A536	L528-G532 WeakPolarHBondContact O-CA 3.26Å; L528-G532 PolarHBondContact O-N 2.99Å; V529-G532 PolarHBondContact O-N 3.21Å; I530-G532 PolarHBondContact O-N 2.79Å; G532-V535 PolarHBondContact O-N 3.42Å; G532-A536 WeakPolarHBondContact O-CB 3.46Å; G532-A536 PolarHBondContact O-N 3.03Å
533	I	88.9	Confident	78.1	Confident	97 Å²	97	83.8 Å²	83.8	50%	0.497	49%	0.49	S	S	.	.	H	α-helix	trans	-64.3	-43.5	174.7	-70.4	163.5	0	0	0	110.9	V529 I530 A536 T537	V529-I533 HydrophobicContact CG1-CD1 3.79Å; V529-I533 WeakPolarHBondContact O-CB 3.26Å; V529-I533 WeakPolarHBondContact O-CD1 3.4Å; V529-I533 VanDerWaalsContact O-CG1 3.24Å; V529-I533 WeakPolarHBondContact O-CG1 3.39Å; V529-I533 PolarHBondContact O-N 3.18Å; I530-I533 PolarHBondContact O-N 3.47Å; I533-A536 PolarHBondContact O-N 3.2Å; I533-T537 HydrophobicContact CG2-CG2 4.4Å; I533-T537 WeakPolarHBondContact O-CB 3.43Å; I533-T537 WeakPolarHBondContact O-CG2 3.47Å; I533-T537 PolarHBondContact O-N 2.86Å; I533-T537 PolarHBondContact O-OG1 2.89Å
534	I	87.8	Confident	79.8	Confident	90 Å²	90	86.2 Å²	86.2	46%	0.462	49%	0.493	S	S	.	.	H	α-helix	trans	-62	-47.3	176.7	-68	164.8	0	0	0	111	I530 G531 T537 L538	I530-I534 HydrophobicContact CG2-CD1 3.91Å; I530-I534 VanDerWaalsContact O-CG1 3.31Å; I530-I534 WeakPolarHBondContact O-CG1 3.4Å; I530-I534 PolarHBondContact O-N 2.98Å; G531-I534 PolarHBondContact O-N 3.5Å; I534-T537 PolarHBondContact O-OG1 2.99Å; I534-T537 VanDerWaalsContact O-OG1 3.06Å; I534-L538 HydrophobicContact CG2-CD1 3.94Å; I534-L538 WeakPolarHBondContact O-CB 3.3Å; I534-L538 VanDerWaalsContact O-CG 3.28Å; I534-L538 WeakPolarHBondContact O-CG 3.5Å; I534-L538 PolarHBondContact O-N 3.39Å
535	V	89.5	Confident	80.9	Confident	85 Å²	85	88.3 Å²	88.3	52%	0.515	49%	0.493	S	S	.	.	H	α-helix	trans	-65.6	-41.8	178	172.9	0	0	0	0	111.7	G531 G532 L538 L539	G531-V535 WeakPolarHBondContact O-CG2 3.3Å; G531-V535 PolarHBondContact O-N 2.99Å; G532-V535 PolarHBondContact O-N 3.42Å; V535-L538 PolarHBondContact O-N 3.36Å; V535-L539 HydrophobicContact CG1-CD1 3.99Å; V535-L539 WeakPolarHBondContact O-CB 3.39Å; V535-L539 WeakPolarHBondContact O-CG 3.39Å; V535-L539 PolarHBondContact O-N 3.43Å
536	A	87.1	Confident	81.7	Confident	50 Å²	50	91.6 Å²	91.6	41%	0.413	51%	0.505	S	S	.	.	H	α-helix	trans	-65.4	-43.5	178.1	0	0	0	0	0	112.2	G532 I533 L539 V540	G532-A536 WeakPolarHBondContact O-CB 3.46Å; G532-A536 PolarHBondContact O-N 3.03Å; I533-A536 PolarHBondContact O-N 3.2Å; A536-L539 PolarHBondContact O-N 2.84Å; A536-V540 WeakPolarHBondContact O-CG2 3.33Å; A536-V540 PolarHBondContact O-N 2.64Å
537	T	88.2	Confident	82.8	Confident	83 Å²	83	90.4 Å²	90.4	51%	0.509	50%	0.504	S	S	.	.	H	α-helix	trans	-66.7	-39.2	177.1	48.7	0	0	0	0	112.3	I533 I534 V540 F541	I533-T537 HydrophobicContact CG2-CG2 4.4Å; I533-T537 WeakPolarHBondContact O-CB 3.43Å; I533-T537 WeakPolarHBondContact O-CG2 3.47Å; I533-T537 PolarHBondContact O-N 2.86Å; I533-T537 PolarHBondContact O-OG1 2.89Å; I534-T537 PolarHBondContact O-OG1 2.99Å; I534-T537 VanDerWaalsContact O-OG1 3.06Å; T537-V540 PolarHBondContact O-N 2.04Å; T537-F541 WeakPolarHBondContact O-CB 3.33Å; T537-F541 PolarHBondContact O-N 3.04Å
538	L	87.9	Confident	83	Confident	95 Å²	95	93.4 Å²	93.4	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-62.1	-44.9	171.8	-75.4	169.1	0	0	0	112.1	I534 V535 F541 I542	I534-L538 HydrophobicContact CG2-CD1 3.94Å; I534-L538 WeakPolarHBondContact O-CB 3.3Å; I534-L538 VanDerWaalsContact O-CG 3.28Å; I534-L538 WeakPolarHBondContact O-CG 3.5Å; I534-L538 PolarHBondContact O-N 3.39Å; V535-L538 PolarHBondContact O-N 3.36Å; L538-F541 PolarHBondContact O-N 3.34Å; L538-I542 WeakPolarHBondContact O-CB 3.47Å; L538-I542 VanDerWaalsContact O-CG1 3.27Å; L538-I542 WeakPolarHBondContact O-CG1 2.98Å; L538-I542 PolarHBondContact O-N 3.36Å
539	L	87.5	Confident	82.8	Confident	97 Å²	97	95.3 Å²	95.3	51%	0.508	51%	0.506	S	S	.	.	H	α-helix	trans	-62.8	-43	176.6	-77.8	169.4	0	0	0	112.2	V535 A536 F541 I542 I543	V535-L539 HydrophobicContact CG1-CD1 3.99Å; V535-L539 WeakPolarHBondContact O-CB 3.39Å; V535-L539 WeakPolarHBondContact O-CG 3.39Å; V535-L539 PolarHBondContact O-N 3.43Å; A536-L539 PolarHBondContact O-N 2.84Å; L539-F541 VanDerWaalsContact C-N 3.35Å; L539-F541 PolarHBondContact O-N 3.05Å; L539-I542 PolarHBondContact O-N 2.71Å; L539-I543 WeakPolarHBondContact O-CB 3.39Å; L539-I543 VanDerWaalsContact O-CG1 3.25Å; L539-I543 WeakPolarHBondContact O-CG1 3.26Å; L539-I543 PolarHBondContact O-N 3.33Å
540	V	91.1	Very high	82.2	Confident	86 Å²	86	99.6 Å²	99.6	52%	0.521	52%	0.518	S	S	.	.	H	α-helix	trans	-62.6	-41.6	174.6	169.1	0	0	0	0	111.1	A536 T537 I543 I544	A536-V540 WeakPolarHBondContact O-CG2 3.33Å; A536-V540 PolarHBondContact O-N 2.64Å; T537-V540 PolarHBondContact O-N 2.04Å; V540-I543 PolarHBondContact O-N 3.07Å; V540-I544 HydrophobicContact CG1-CD1 3.76Å; V540-I544 HydrophobicContact CG1-CG1 4.44Å; V540-I544 WeakPolarHBondContact O-CB 3.38Å; V540-I544 VanDerWaalsContact O-CG1 3.26Å; V540-I544 WeakPolarHBondContact O-CG1 3.35Å; V540-I544 PolarHBondContact O-N 2.83Å
541	F	86.7	Confident	81.3	Confident	126 Å²	126	99.5 Å²	99.5	55%	0.553	52%	0.522	S	S	*	.	H	α-helix	trans	-63.6	-44	176.2	-174	-107.9	0	0	0	112.3	T537 L538 L539 I543 I544 L545	T537-F541 WeakPolarHBondContact O-CB 3.33Å; T537-F541 PolarHBondContact O-N 3.04Å; L538-F541 PolarHBondContact O-N 3.34Å; L539-F541 VanDerWaalsContact C-N 3.35Å; L539-F541 PolarHBondContact O-N 3.05Å; F541-I543 PolarHBondContact O-N 3.13Å; F541-I544 PolarHBondContact O-N 2.93Å; F541-L545 HydrophobicContact CD1-CD1 3.89Å; F541-L545 HydrophobicContact CE1-CD1 3.54Å; F541-L545 HydrophobicContact CE1-CG 4.3Å; F541-L545 HydrophobicContact CZ-CD1 4.06Å; F541-L545 HydrophobicContact CZ-CG 4.44Å; F541-L545 WeakPolarHBondContact O-CG 3.43Å; F541-L545 PolarHBondContact O-N 3.35Å
542	I	87.6	Confident	80.1	Confident	87 Å²	87	103.2 Å²	103.2	45%	0.446	54%	0.539	S	S	.	.	H	α-helix	trans	-61.6	-43.4	174.5	-69.1	163.9	0	0	0	110.8	L538 L539 L545 M546	L538-I542 WeakPolarHBondContact O-CB 3.47Å; L538-I542 VanDerWaalsContact O-CG1 3.27Å; L538-I542 WeakPolarHBondContact O-CG1 2.98Å; L538-I542 PolarHBondContact O-N 3.36Å; L539-I542 PolarHBondContact O-N 2.71Å; I542-L545 PolarHBondContact O-N 3.49Å; I542-M546 HydrophobicContact CG2-CG 4.49Å; I542-M546 WeakPolarHBondContact O-CG 3.38Å; I542-M546 PolarHBondContact O-N 3.13Å
543	I	87.1	Confident	78.5	Confident	101 Å²	101	105 Å²	105	52%	0.518	55%	0.545	S	S	.	.	H	α-helix	trans	-64.2	-41.8	176.5	-70	165.6	0	0	0	110.9	L539 V540 F541 L545 M546 V547	L539-I543 WeakPolarHBondContact O-CB 3.39Å; L539-I543 VanDerWaalsContact O-CG1 3.25Å; L539-I543 WeakPolarHBondContact O-CG1 3.26Å; L539-I543 PolarHBondContact O-N 3.33Å; V540-I543 PolarHBondContact O-N 3.07Å; F541-I543 PolarHBondContact O-N 3.13Å; I543-L545 VanDerWaalsContact C-N 3.34Å; I543-L545 PolarHBondContact O-N 2.86Å; I543-M546 PolarHBondContact O-N 3.08Å; I543-V547 HydrophobicContact CG2-CG2 4.29Å; I543-V547 WeakPolarHBondContact O-CB 3.36Å; I543-V547 VanDerWaalsContact O-CG2 3.27Å; I543-V547 WeakPolarHBondContact O-CG2 3.39Å; I543-V547 PolarHBondContact O-N 3.33Å
544	I	84.4	Confident	76.5	Confident	89 Å²	89	103.3 Å²	103.3	46%	0.456	55%	0.551	S	S	.	*	H	α-helix	trans	-62.2	-41.1	175.3	-71.7	166.3	0	0	0	111.1	V540 F541 V547 R548	V540-I544 HydrophobicContact CG1-CD1 3.76Å; V540-I544 HydrophobicContact CG1-CG1 4.44Å; V540-I544 WeakPolarHBondContact O-CB 3.38Å; V540-I544 VanDerWaalsContact O-CG1 3.26Å; V540-I544 WeakPolarHBondContact O-CG1 3.35Å; V540-I544 PolarHBondContact O-N 2.83Å; F541-I544 PolarHBondContact O-N 2.93Å; I544-V547 PolarHBondContact O-N 3.25Å; I544-R548 WeakPolarHBondContact O-CB 3.33Å; I544-R548 PolarHBondContact O-N 3.2Å
545	L	79	Confident	74.7	Confident	91 Å²	91	105.9 Å²	105.9	48%	0.476	57%	0.565	S	S	.	*	H	α-helix	trans	-64.6	-46.4	174.3	-73.9	175.3	0	0	0	111.8	F541 I542 I543 V547 R548 Y549	F541-L545 HydrophobicContact CD1-CD1 3.89Å; F541-L545 HydrophobicContact CE1-CD1 3.54Å; F541-L545 HydrophobicContact CE1-CG 4.3Å; F541-L545 HydrophobicContact CZ-CD1 4.06Å; F541-L545 HydrophobicContact CZ-CG 4.44Å; F541-L545 WeakPolarHBondContact O-CG 3.43Å; F541-L545 PolarHBondContact O-N 3.35Å; I542-L545 PolarHBondContact O-N 3.49Å; I543-L545 VanDerWaalsContact C-N 3.34Å; I543-L545 PolarHBondContact O-N 2.86Å; L545-V547 VanDerWaalsContact C-N 3.35Å; L545-V547 PolarHBondContact O-N 3.05Å; L545-R548 PolarHBondContact O-N 2.9Å; L545-Y549 VanDerWaalsContact O-CB 3.25Å; L545-Y549 WeakPolarHBondContact O-CB 3.48Å; L545-Y549 PolarHBondContact O-N 2.83Å
546	M	75.3	Confident	72.3	Confident	133 Å²	133	110.7 Å²	110.7	66%	0.655	58%	0.581	S	S	*	*	H	α-helix	trans	-64	-37.4	176.7	-71.6	-162.9	80.7	0	0	112.6	I542 I543 K550	I542-M546 HydrophobicContact CG2-CG 4.49Å; I542-M546 WeakPolarHBondContact O-CG 3.38Å; I542-M546 PolarHBondContact O-N 3.13Å; I543-M546 PolarHBondContact O-N 3.08Å; M546-K550 WeakPolarHBondContact O-CB 3.38Å; M546-K550 PolarHBondContact O-N 2.75Å
547	V	78.6	Confident	70.1	Confident	83 Å²	83	114.5 Å²	114.5	50%	0.503	60%	0.6	S	S	.	*	H	α-helix	trans	-67.4	-45.8	174.6	168.9	0	0	0	0	110.6	I543 I544 L545 K550 V551	I543-V547 HydrophobicContact CG2-CG2 4.29Å; I543-V547 WeakPolarHBondContact O-CB 3.36Å; I543-V547 VanDerWaalsContact O-CG2 3.27Å; I543-V547 WeakPolarHBondContact O-CG2 3.39Å; I543-V547 PolarHBondContact O-N 3.33Å; I544-V547 PolarHBondContact O-N 3.25Å; L545-V547 VanDerWaalsContact C-N 3.35Å; L545-V547 PolarHBondContact O-N 3.05Å; V547-K550 PolarHBondContact O-N 3.38Å; V547-V551 HydrophobicContact CG1-CG2 4.45Å; V547-V551 WeakPolarHBondContact O-CB 3.36Å; V547-V551 VanDerWaalsContact O-CG2 3.28Å; V547-V551 WeakPolarHBondContact O-CG2 3.43Å; V547-V551 PolarHBondContact O-N 3.26Å
548	R	70	Confident	67.6	Low	189 Å²	189	117.3 Å²	117.3	71%	0.713	61%	0.612	S	S	*	*	H	α-helix	trans	-62.1	-44.5	175.8	-81	-167.5	166	-149	-4.5	112.1	I544 L545 K550 V551 T552	I544-R548 WeakPolarHBondContact O-CB 3.33Å; I544-R548 PolarHBondContact O-N 3.2Å; L545-R548 PolarHBondContact O-N 2.9Å; R548-K550 PolarHBondContact O-N 2.88Å; R548-V551 PolarHBondContact O-N 3.47Å; R548-T552 PolarHBondContact O-N 3.29Å; R548-T552 PolarHBondContact O-OG1 3.47Å; R548-T552 VanDerWaalsContact O-OG1 3.14Å
549	Y	66.4	Low	65	Low	174 Å²	174	121.9 Å²	121.9	68%	0.682	63%	0.627	S	S	*	*	H	α-helix	trans	-59.8	-45	175.3	-169.7	-95	0	0	0	111.4	L545 V551 T552 S553	L545-Y549 VanDerWaalsContact O-CB 3.25Å; L545-Y549 WeakPolarHBondContact O-CB 3.48Å; L545-Y549 PolarHBondContact O-N 2.83Å; Y549-V551 VanDerWaalsContact C-N 3.32Å; Y549-V551 PolarHBondContact O-N 3.41Å; Y549-T552 PolarHBondContact O-N 2.93Å; Y549-T552 PolarHBondContact O-OG1 2.97Å; Y549-T552 VanDerWaalsContact O-OG1 3.11Å; Y549-S553 WeakPolarHBondContact O-CB 3.3Å; Y549-S553 PolarHBondContact O-N 3.31Å; Y549-S553 PolarHBondContact O-OG 2.86Å
550	K	62.1	Low	62.7	Low	167 Å²	167	124.7 Å²	124.7	73%	0.726	64%	0.642	S	S	*	*	H	α-helix	trans	-67.4	-29.6	177	-168.5	170	-176.2	175.6	0	113.2	M546 V547 R548 G554	M546-K550 WeakPolarHBondContact O-CB 3.38Å; M546-K550 PolarHBondContact O-N 2.75Å; V547-K550 PolarHBondContact O-N 3.38Å; R548-K550 PolarHBondContact O-N 2.88Å; K550-G554 PolarHBondContact O-N 2.85Å
551	V	58.1	Low	60.3	Low	95 Å²	95	126.1 Å²	126.1	58%	0.576	65%	0.653	S	S	*	*	H	α-helix	trans	-73	-41.5	173.8	167.6	0	0	0	0	111.5	V547 R548 Y549 G554	V547-V551 HydrophobicContact CG1-CG2 4.45Å; V547-V551 WeakPolarHBondContact O-CB 3.36Å; V547-V551 VanDerWaalsContact O-CG2 3.28Å; V547-V551 WeakPolarHBondContact O-CG2 3.43Å; V547-V551 PolarHBondContact O-N 3.26Å; R548-V551 PolarHBondContact O-N 3.47Å; Y549-V551 VanDerWaalsContact C-N 3.32Å; Y549-V551 PolarHBondContact O-N 3.41Å; V551-G554 PolarHBondContact O-N 2.9Å
552	T	53.9	Low	57.6	Low	109 Å²	109	125.6 Å²	125.6	67%	0.669	66%	0.66	S	S	*	*	H	α-helix	trans	-71.8	-34.4	173.7	44.8	0	0	0	0	112.9	R548 Y549 G554	R548-T552 PolarHBondContact O-N 3.29Å; R548-T552 PolarHBondContact O-OG1 3.47Å; R548-T552 VanDerWaalsContact O-OG1 3.14Å; Y549-T552 PolarHBondContact O-N 2.93Å; Y549-T552 PolarHBondContact O-OG1 2.97Å; Y549-T552 VanDerWaalsContact O-OG1 3.11Å; T552-G554 PolarHBondContact O-N 3.28Å
553	S	50.7	Low	55.2	Low	78 Å²	78	127.8 Å²	127.8	55%	0.545	68%	0.677	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.4	-12.2	170.7	-59.6	0	0	0	0	114	Y549	Y549-S553 WeakPolarHBondContact O-CB 3.3Å; Y549-S553 PolarHBondContact O-N 3.31Å; Y549-S553 PolarHBondContact O-OG 2.86Å
554	G	48.4	Very low	52.5	Low	61 Å²	61	127.7 Å²	127.7	63%	0.629	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-10.5	-176.4	0	0	0	0	0	115.6	K550 V551 T552	K550-G554 PolarHBondContact O-N 2.85Å; V551-G554 PolarHBondContact O-N 2.9Å; T552-G554 PolarHBondContact O-N 3.28Å
555	I	49.6	Very low	50.1	Low	145 Å²	145	130.6 Å²	130.6	74%	0.744	70%	0.702	S	S	*	*	S	Bend	trans	-128.6	50.4	-169.6	-38.9	-178.1	0	0	0	112.3
556	Q	39.2	Very low	47.8	Very low	186 Å²	186	131.4 Å²	131.4	87%	0.869	71%	0.711	S	S	*	*			trans	-143.3	82.1	159.4	-80.5	-152.8	-4.8	0	0	113.4
557	T	40.4	Very low	45.6	Very low	130 Å²	130	135.9 Å²	135.9	80%	0.798	72%	0.723	S	S	*	*			trans	-140.9	95.6	147.6	44.8	0	0	0	0	110.1
558	N	35.9	Very low	43.4	Very low	142 Å²	142	136.3 Å²	136.3	76%	0.759	73%	0.729	S	S	*	*			trans	164.7	128	132.6	-91.5	-63.9	0	0	0	113.8
559	K	32.6	Very low	41.6	Very low	190 Å²	190	135.5 Å²	135.5	83%	0.826	73%	0.733	S	S	*	*			trans	68.2	123.4	150.1	-60.9	176.5	-178.5	179.8	0	120.8
560	L	38.7	Very low	40	Very low	157 Å²	157	132.4 Å²	132.4	82%	0.822	73%	0.733	S	S	*	*			trans	-60.4	150.1	147.6	-101.8	68.9	0	0	0	110.3
561	P	41.3	Very low	38.6	Very low	116 Å²	116	132.2 Å²	132.2	75%	0.753	74%	0.74	S	S	*	*				-127.1	152.1	76.9	5.8	18.3	0	0	0	113.6
562	T	31.2	Very low	37.2	Very low	114 Å²	114	131.7 Å²	131.7	70%	0.699	75%	0.753	S	S	*	*				78.9	95	67.3	-45.6	0	0	0	0	115.3
563	V	36.8	Very low	36	Very low	133 Å²	133	130 Å²	130	81%	0.806	76%	0.757	S	S	*	*			trans	40.2	119	144.2	-173.3	0	0	0	0	120.2
564	S	30.1	Very low	35.2	Very low	100 Å²	100	132.8 Å²	132.8	70%	0.699	77%	0.771	S	S	*	*				-176.6	138.9	120.9	52.9	0	0	0	0	114.1
565	N	33	Very low	34.4	Very low	149 Å²	149	136.2 Å²	136.2	80%	0.797	78%	0.775	S	S	*	*			trans	48.7	153.8	131.2	-61.3	2.6	0	0	0	122.5
566	T	31.2	Very low	33.6	Very low	108 Å²	108	138.4 Å²	138.4	66%	0.663	77%	0.774	S	S	*	*			cis	-172.8	137	-16.6	-93.9	0	0	0	0	110
567	Y	29.8	Very low	33.3	Very low	228 Å²	228	136.4 Å²	136.4	89%	0.894	76%	0.762	S	S	*	*			trans	71.1	176.8	158.8	-93.1	-127.9	0	0	0	121.7
568	S	31.3	Very low	32.8	Very low	91 Å²	91	137 Å²	137	64%	0.636	76%	0.761	S	S	*	*			trans	-145.7	177.4	-162.8	58.8	0	0	0	0	111.7
569	Q	32.8	Very low	32.5	Very low	172 Å²	172	134.2 Å²	134.2	80%	0.804	77%	0.766	S	S	*	*			trans	72.9	148.4	175.3	-54.6	-167.5	19.3	0	0	115.5
570	T	32.3	Very low	32.4	Very low	110 Å²	110	130 Å²	130	68%	0.675	77%	0.766	S	S	*	*			cis	-159.4	156.6	-6.7	10.5	0	0	0	0	111.8
571	N	32.8	Very low	32.4	Very low	163 Å²	163	128.3 Å²	128.3	87%	0.872	76%	0.764	S	S	*	*			trans	40.4	126.9	150.5	-68	-6.9	0	0	0	122.9
572	G	28.4	Very low	32.3	Very low	83 Å²	83	128.2 Å²	128.2	86%	0.856	76%	0.764	S	S	*	*			trans	173.9	141.9	156.3	0	0	0	0	0	112.1
573	G	30.1	Very low	32.1	Very low	73 Å²	73	130.3 Å²	130.3	75%	0.753	77%	0.766	S	S	*	*			trans	-179.5	172.5	176.9	0	0	0	0	0	113.6
574	V	32.8	Very low	31.6	Very low	138 Å²	138	131.1 Å²	131.1	84%	0.836	77%	0.771	S	S	*	*			trans	176	142.8	161.2	140	0	0	0	0	111.3
575	N	32.1	Very low	31.4	Very low	132 Å²	132	135.4 Å²	135.4	71%	0.706	78%	0.776	S	S	*	*			trans	5.8	152	155.9	-61	-36.9	0	0	0	121.3
576	R	32.3	Very low	30.9	Very low	192 Å²	192	133.9 Å²	133.9	73%	0.725	78%	0.777	S	S	*	*			cis	-167	-167.4	16.7	-123.7	166.6	-176.7	178.1	0.6	108.5
577	F	32.9	Very low	30.6	Very low	143 Å²	143	135.3 Å²	135.3	63%	0.627	79%	0.787	S	S	*	*			cis	-161.9	169.7	5.6	-132.3	-22.6	0	0	0	112
578	N	31	Very low	30.3	Very low	143 Å²	143	130.3 Å²	130.3	77%	0.765	78%	0.779	S	S	*	*			trans	37.2	121.8	151.7	-67.4	-4.4	0	0	0	125.1
579	G	29.8	Very low	30	Very low	84 Å²	84	131.9 Å²	131.9	87%	0.866	79%	0.785	S	S	*	*			trans	159.3	121.5	156.3	0	0	0	0	0	112.8
580	A	29.4	Very low	29.4	Very low	100 Å²	100	129.9 Å²	129.9	83%	0.826	78%	0.784	S	S	*	*			trans	-156	155	-176.4	0	0	0	0	0	111.3
581	P	38.4	Very low	29	Very low	122 Å²	122	132 Å²	132	79%	0.792	79%	0.788	S	S	*	*				-147.7	-163.4	73.2	38.8	-17.6	0	0	0	113.9
582	P	40	Very low	28.5	Very low	114 Å²	114	133.2 Å²	133.2	74%	0.74	78%	0.781	S	S	*	*				-125.9	156.2	-55.2	35.1	-20.6	0	0	0	115.2
583	Q	26.1	Very low	28.2	Very low	159 Å²	159	135.5 Å²	135.5	74%	0.743	77%	0.769	S	S	*	*			trans	48.1	94	146.3	-63.1	-70.1	15.8	0	0	121.9
584	V	26.5	Very low	27.9	Very low	150 Å²	150	139.3 Å²	139.3	91%	0.909	77%	0.767	S	S	*	*				-138.5	135.2	115.5	-178.2	0	0	0	0	107.5
585	K	26.2	Very low	27.4	Very low	189 Å²	189	140.1 Å²	140.1	82%	0.822	76%	0.763	S	S	*	*			trans	-147.5	138.3	175.9	-77.3	-169.2	173.9	-174	0	112.4
586	S	23.5	Very low	27	Very low	117 Å²	117	139.6 Å²	139.6	82%	0.818	77%	0.765	S	S	*	*			trans	-152.8	111.9	158.7	-174.1	0	0	0	0	110.6
587	T	24.3	Very low	26.4	Very low	139 Å²	139	137.8 Å²	137.8	85%	0.853	77%	0.765	S	S	*	*			trans	163.1	148.8	167.3	25.1	0	0	0	0	106.6
588	V	23.9	Very low	25.8	Very low	122 Å²	122	137.5 Å²	137.5	74%	0.739	76%	0.764	S	S	*	*			cis	-147.1	149.9	11.1	90	0	0	0	0	111.1
589	V	24	Very low	25.3	Very low	124 Å²	124	139.3 Å²	139.3	75%	0.752	77%	0.765	S	S	*	*			trans	17.5	138.1	146.8	176.9	0	0	0	0	120.6
590	V	21.6	Very low	24.9	Very low	130 Å²	130	141 Å²	141	79%	0.788	76%	0.762	S	S	*	*				-169.5	126.9	125.9	140.6	0	0	0	0	113.8
591	M	22.6	Very low	24.6	Very low	155 Å²	155	139.8 Å²	139.8	76%	0.764	76%	0.759	S	S	*	*			trans	47.7	118.7	150	-71.3	-166.7	166.9	0	0	124.9
592	R	21.9	Very low	23.9	Very low	189 Å²	189	139.2 Å²	139.2	71%	0.713	76%	0.757	S	S	*	*				87.1	153.6	104.7	-166.7	178	164.4	142.9	11.2	121.4
593	E	23.7	Very low	23.2	Very low	131 Å²	131	140.3 Å²	140.3	61%	0.612	76%	0.757	S	S	*	*			trans	89.2	127.5	159.2	-118.2	97	-118.1	0	0	120.6
594	E	22.3	Very low	23.2	Very low	153 Å²	153	141 Å²	141	72%	0.715	76%	0.76	S	S	*	*			trans	44.6	132.2	145.5	-73.3	-175.8	163.8	0	0	127.3
595	M	22.3	Very low	23	Very low	154 Å²	154	138.3 Å²	138.3	76%	0.759	75%	0.747	S	S	*	*			trans	61.7	119.7	131.9	-64.8	-152.6	-157.2	0	0	124.8
596	V	24.1	Very low	23	Very low	121 Å²	121	134.2 Å²	134.2	73%	0.733	74%	0.743	S	S	*	*				89	114.1	122.9	172.1	0	0	0	0	122
597	E	20.1	Very low	23.1	Very low	154 Å²	154	136.8 Å²	136.8	72%	0.72	75%	0.746	S	S	*	*			trans	86.4	140.4	142.6	-90.5	-172.2	160	0	0	127.5
598	F	21.1	Very low	23.2	Very low	138 Å²	138	136.3 Å²	136.3	61%	0.605	75%	0.749	S	S	*	*			trans	71.4	110.3	149.2	-81.9	-54.1	0	0	0	125.3
599	K	20.1	Very low	23.3	Very low	181 Å²	181	135.8 Å²	135.8	79%	0.787	75%	0.75	S	S	*	*			trans	56.7	148.9	132.5	-84.8	173	-173.5	169.5	0	119.6
600	C	20.5	Very low	23.5	Very low	120 Å²	120	135 Å²	135	81%	0.811	75%	0.75	S	S	*	*			cis	-158.6	146	20.5	-158.1	0	0	0	0	113.4
601	G	22.7	Very low	23.8	Very low	74 Å²	74	134.2 Å²	134.2	76%	0.763	75%	0.751	S	S	*	*			trans	71.7	171.4	160.5	0	0	0	0	0	117.2
602	S	23.9	Very low	24.2	Very low	109 Å²	109	131.3 Å²	131.3	76%	0.762	75%	0.746	S	S	*	*			cis	-163.9	157.6	-15.8	-161.3	0	0	0	0	110.8
603	L	24.9	Very low	24.6	Very low	138 Å²	138	127.4 Å²	127.4	72%	0.723	75%	0.748	S	S	*	*			trans	62.8	125.7	163.8	-70	160.6	0	0	0	120.3
604	Q	26.4	Very low	24.9	Very low	173 Å²	173	125.4 Å²	125.4	81%	0.808	75%	0.748	S	S	*	*			trans	63.7	151.1	139.9	-68.3	173.4	-29.3	0	0	119.7
605	S	23.9	Very low	25.1	Very low	93 Å²	93	125.1 Å²	125.1	65%	0.65	75%	0.751	S	S	*	*			cis	-172.2	164.2	-22.7	51.3	0	0	0	0	108.9
606	S	25.5	Very low	25.5	Very low	104 Å²	104	122.3 Å²	122.3	73%	0.727	75%	0.747	S	S	*	*			trans	72.3	119.5	173.5	-50.4	0	0	0	0	114.4
607	L	24.9	Very low	25.7	Very low	170 Å²	170	123.4 Å²	123.4	89%	0.89	75%	0.748	S	S	*	*				64.7	92.6	65.9	-66.1	170	0	0	0	113.7
608	S	27	Very low	26	Very low	129 Å²	129	122.7 Å²	122.7	90%	0.902	75%	0.749	S	S	*	*				-169	154.4	115.6	37.2	0	0	0	0	111.3
609	S	25.2	Very low	26.3	Very low	111 Å²	111	120.5 Å²	120.5	78%	0.776	75%	0.751	S	S	*	*			trans	-123.2	127.5	-171.3	53.4	0	0	0	0	112
610	S	29.2	Very low	26.6	Very low	107 Å²	107	120.1 Å²	120.1	75%	0.748	75%	0.752	S	S	*	*			trans	-165	123.8	158.8	-24.5	0	0	0	0	105.4
611	S	28.6	Very low	27.1	Very low	115 Å²	115	121.8 Å²	121.8	80%	0.804	76%	0.758	S	S	*	*				58.3	141.7	72.1	86.5	0	0	0	0	112.7
612	S	29.4	Very low	27.4	Very low	94 Å²	94	121.8 Å²	121.8	66%	0.657	76%	0.758	S	S	*	*			cis	-161.7	169.6	17.1	52.6	0	0	0	0	112.1
613	S	30.2	Very low	27.6	Very low	107 Å²	107	128.9 Å²	128.9	75%	0.748	77%	0.768	S	S	*	*			trans	61	151.7	149.6	51.3	0	0	0	0	120.2
614	S	30.2	Very low	27.7	Very low	88 Å²	88	126 Å²	126	62%	0.615	77%	0.772	S	S	*	*			cis	-171.9	-178.1	-20.5	59.4	0	0	0	0	109
615	N	27.2	Very low	27.8	Very low	147 Å²	147	123 Å²	123	79%	0.786	78%	0.777	S	S	*	*			trans	75	147.6	162.2	-55.8	-4.4	0	0	0	117.1
616	S	29.5	Very low	27.9	Very low	95 Å²	95	121.6 Å²	121.6	66%	0.664	78%	0.777	S	S	*	*			cis	-173.9	156.3	-14.9	50.6	0	0	0	0	113.3
617	L	28.6	Very low	27.9	Very low	144 Å²	144	127 Å²	127	75%	0.754	78%	0.783	S	S	*	*			trans	76.3	142	150.4	-101.4	70.7	0	0	0	121.7
618	D	27.2	Very low	27.9	Very low	139 Å²	139	125.6 Å²	125.6	74%	0.743	78%	0.777	S	S	*	*			trans	65.4	144.2	145.4	-67.6	-5.6	0	0	0	122.4
619	S	27.8	Very low	27.9	Very low	92 Å²	92	123.3 Å²	123.3	64%	0.643	77%	0.766	S	S	*	*			cis	-165.4	161.4	-16.2	56.5	0	0	0	0	112.9
620	Q	26.6	Very low	27.9	Very low	174 Å²	174	126.8 Å²	126.8	81%	0.813	77%	0.77	S	S	*	*			trans	39.3	117.4	151	-64.1	177.9	23.2	0	0	121.6
621	T	30.3	Very low	27.7	Very low	154 Å²	154	126.8 Å²	126.8	95%	0.945	77%	0.77	S	S	*	*				170.6	142.1	119.1	30.8	0	0	0	0	109.7
622	G	28.6	Very low	27.6	Very low	74 Å²	74	127.4 Å²	127.4	76%	0.763	77%	0.774	S	S	*	*			cis	-171.1	162.9	-7.8	0	0	0	0	0	111.3
623	R	28.4	Very low	27.3	Very low	258 Å²	258	131.9 Å²	131.9	97%	0.974	78%	0.784	S	S	*	*			trans	-74.6	151.9	167.4	-60.5	174	178.5	174.5	-2.4	109
624	G	27.1	Very low	27	Very low	77 Å²	77	132.3 Å²	132.3	79%	0.794	79%	0.786	S	S	*	*			cis	124.9	98	3.9	0	0	0	0	0	111.8
625	A	27.8	Very low	26.8	Very low	110 Å²	110	132.3 Å²	132.3	91%	0.909	79%	0.786	S	S	*	*			trans	-169.5	156.2	173.8	0	0	0	0	0	112.4
626	G	26.1	Very low	26.7	Very low	64 Å²	64	132.9 Å²	132.9	66%	0.66	79%	0.789	S	S	*	*			trans	124.6	59.8	142.8	0	0	0	0	0	122.3
627	Y	26.1	Very low	26.6	Very low	217 Å²	217	135 Å²	135	85%	0.851	79%	0.792	S	S	*	*			trans	49.1	134.4	138.1	-65.6	-73.7	0	0	0	125
628	N	25.6	Very low	26.9	Very low	142 Å²	142	134 Å²	134	76%	0.759	79%	0.794	S	S	*	*			trans	79.5	103.9	133.7	-68.9	-0.5	0	0	0	123.7
629	A	26.7	Very low	26.9	Very low	81 Å²	81	131.2 Å²	131.2	67%	0.669	79%	0.786	S	S	*	*				88	149.6	106.3	0	0	0	0	0	122.6
630	Q	25.7	Very low	27	Very low	184 Å²	184	132.6 Å²	132.6	86%	0.86	79%	0.79	S	S	*	*			trans	61.9	112.1	160.6	-69.2	168.1	-25.3	0	0	117.3
631	S	23.9	Very low	27.1	Very low	107 Å²	107	132.5 Å²	132.5	75%	0.748	79%	0.788	S	S	*	*				80.9	107.2	52.3	78.3	0	0	0	0	115.5
632	S	26.6	Very low	26.9	Very low	128 Å²	128	132.4 Å²	132.4	90%	0.895	77%	0.774	S	S	*	*			trans	-169.9	155.8	149.1	47	0	0	0	0	111.4
633	E	24.1	Very low	26.8	Very low	187 Å²	187	138.5 Å²	138.5	87%	0.874	77%	0.774	S	S	*	*			trans	-105.2	153	-172.8	-55.4	161.1	103.5	0	0	113
634	C	22.6	Very low	26.7	Very low	116 Å²	116	134.7 Å²	134.7	78%	0.784	76%	0.76	S	S	*	*			trans	167.2	115.9	135.3	-88	0	0	0	0	108.6
635	S	25.8	Very low	26.6	Very low	89 Å²	89	137.7 Å²	137.7	62%	0.622	75%	0.753	S	S	*	*				73.8	106.4	62.9	87.6	0	0	0	0	114.1
636	N	26	Very low	26.5	Very low	158 Å²	158	137 Å²	137	85%	0.845	74%	0.737	S	S	*	*				-174.8	159.2	105.3	-98.4	-70.5	0	0	0	114.4
637	L	26.3	Very low	26.4	Very low	140 Å²	140	142.2 Å²	142.2	73%	0.733	74%	0.744	S	S	*	*			trans	-89.5	169	175.8	-119.1	66.6	0	0	0	110.4
638	P	35.6	Very low	26.4	Very low	123 Å²	123	135 Å²	135	80%	0.799	74%	0.735	S	S	*	*				-140.9	164.6	52.7	37.9	-18.1	0	0	0	115.7
639	S	27.4	Very low	26.5	Very low	81 Å²	81	134.1 Å²	134.1	57%	0.566	74%	0.735	S	S	*	*			cis	82.6	84.2	21.5	-167.1	0	0	0	0	117.6
640	T	30.2	Very low	26.5	Very low	120 Å²	120	139.6 Å²	139.6	74%	0.736	74%	0.744	S	S	*	*			trans	-153.9	148.4	147.8	49.7	0	0	0	0	110
641	K	28.6	Very low	26.5	Very low	173 Å²	173	135.3 Å²	135.3	75%	0.752	74%	0.74	S	S	*	*			cis	-157.4	132.1	-18.4	-106.2	159.6	-175	168.6	0	105.7
642	F	25.7	Very low	26.7	Very low	152 Å²	152	140.3 Å²	140.3	67%	0.667	74%	0.743	S	S	*	*				58.3	137.1	91.6	-85.6	-63.2	0	0	0	115.1
643	R	27	Very low	26.8	Very low	202 Å²	202	140.6 Å²	140.6	76%	0.762	73%	0.73	S	S	*	*			cis	-143.4	148.8	16.4	-99.7	167.7	-173.8	170.2	-1.5	110.4
644	R	24.8	Very low	27.1	Very low	178 Å²	178	137.5 Å²	137.5	67%	0.672	72%	0.72	S	S	*	*				47.4	132.4	86.6	-52.5	-176	-179.9	175.6	-3.2	114.1
645	H	25.4	Very low	27.3	Very low	139 Å²	139	138.4 Å²	138.4	64%	0.644	72%	0.716	S	S	*	*				-177.8	165.9	68.6	-89.5	-86.8	0	0	0	109.9
646	V	25.9	Very low	27.4	Very low	96 Å²	96	141.4 Å²	141.4	58%	0.582	73%	0.725	S	S	*	*			cis	-175.1	157.2	-23	70.9	0	0	0	0	111.6
647	H	25.5	Very low	27.6	Very low	174 Å²	174	141.6 Å²	141.6	81%	0.806	72%	0.721	S	S	*	*			trans	70.7	147.1	163.4	-62.6	-45.1	0	0	0	121.8
648	G	25.6	Very low	27.7	Very low	65 Å²	65	142.6 Å²	142.6	67%	0.67	73%	0.726	S	S	*	*			trans	-175.5	-47	177.9	0	0	0	0	0	118
649	T	26.8	Very low	27.4	Very low	123 Å²	123	145.7 Å²	145.7	76%	0.755	74%	0.735	S	S	*	*			trans	61.3	146.9	163.2	64.4	0	0	0	0	122.8
650	K	26.8	Very low	27.4	Very low	196 Å²	196	145 Å²	145	85%	0.852	74%	0.74	S	S	*	*			trans	78.4	121.3	175.1	-53.5	178.2	-177.6	178.3	0	114.5
651	A	27	Very low	27.2	Very low	95 Å²	95	143.5 Å²	143.5	79%	0.785	74%	0.74	S	S	*	*			cis	79.1	138.7	42.2	0	0	0	0	0	113.1
652	R	27.8	Very low	27	Very low	212 Å²	212	145.2 Å²	145.2	80%	0.8	75%	0.748	S	S	*	*			cis	-161.5	156.6	22.1	-149.4	-177.2	166.2	164.1	-4	111.9
653	Q	28.9	Very low	27.2	Very low	133 Å²	133	144 Å²	144	62%	0.621	75%	0.753	S	S	*	*			trans	18.7	155.4	140.6	-63.8	-177.6	-55.8	0	0	121.3
654	N	29.3	Very low	27.3	Very low	123 Å²	123	139.8 Å²	139.8	66%	0.658	75%	0.754	S	S	*	*			cis	-168.4	165.5	3.7	-115	16.8	0	0	0	109.4
655	L	27.7	Very low	27.3	Very low	135 Å²	135	139.3 Å²	139.3	71%	0.707	76%	0.764	S	S	*	*				174.8	115.3	109.4	-173.7	66.9	0	0	0	112.6	Q657	L655-Q657 HydrophobicContact CD2-CB 4.29Å; L655-Q657 HydrophobicContact CG-CB 4.23Å
656	D	27.9	Very low	27.3	Very low	152 Å²	152	141.1 Å²	141.1	81%	0.813	77%	0.773	S	S	*	*			trans	-81.4	114.7	155.4	-61.3	-72.4	0	0	0	109.2
657	Q	29	Very low	27.3	Very low	162 Å²	162	144.3 Å²	144.3	76%	0.757	79%	0.786	S	S	*	*			trans	-170.3	87.9	160	-117.9	174.8	-1.2	0	0	112.4	L655	L655-Q657 HydrophobicContact CD2-CB 4.29Å; L655-Q657 HydrophobicContact CG-CB 4.23Å
658	L	28.6	Very low	27.3	Very low	160 Å²	160	147.5 Å²	147.5	84%	0.838	79%	0.791	S	S	*	*			trans	179.2	91.7	146.6	-104.1	162.3	0	0	0	110.5
659	L	29.6	Very low	27.3	Very low	189 Å²	189	147.7 Å²	147.7	99%	0.99	79%	0.792	S	S	*	*			trans	-168.2	74.8	151.7	-108.9	171.3	0	0	0	108.3
660	G	26.6	Very low	27.4	Very low	65 Å²	65	146.8 Å²	146.8	67%	0.67	80%	0.797	S	S	*	*			trans	-168.8	136.8	178.8	0	0	0	0	0	109.6
661	A	26.4	Very low	27.5	Very low	89 Å²	89	142.3 Å²	142.3	74%	0.736	80%	0.797	S	S	*	*			trans	62.3	93.6	-174.1	0	0	0	0	0	116.4
662	F	25.8	Very low	27.5	Very low	210 Å²	210	147.6 Å²	147.6	92%	0.921	80%	0.802	S	S	*	*			trans	-134.3	84.4	140.6	-83.3	-62.5	0	0	0	109.7
663	T	29.4	Very low	27.5	Very low	127 Å²	127	144.7 Å²	144.7	78%	0.779	80%	0.803	S	S	*	*			trans	-136.1	162.5	164.7	50.5	0	0	0	0	108.6
664	S	27.9	Very low	27.4	Very low	113 Å²	113	147.8 Å²	147.8	79%	0.79	82%	0.817	S	S	*	*			trans	61.1	96.6	-175.7	66	0	0	0	0	116
665	L	25.4	Very low	27.2	Very low	167 Å²	167	151.4 Å²	151.4	87%	0.874	83%	0.83	S	S	*	*			trans	-112.1	69.8	155.1	-133.9	173.7	0	0	0	108	L667	L665-L667 PolarHBondContact O-N 3.45Å
666	E	25.4	Very low	27.1	Very low	178 Å²	178	148.9 Å²	148.9	83%	0.832	84%	0.836	S	S	*	*			trans	-80.8	108.5	-173.3	-168.4	177.5	-140.5	0	0	110.9	R668	E666-R668 PolarHBondContact O-N 3.26Å
667	L	25.9	Very low	27	Very low	162 Å²	162	148 Å²	148	85%	0.848	84%	0.836	S	S	*	*			trans	-81.3	80.3	-168.6	-117	167	0	0	0	112.2	L665 G669	L665-L667 PolarHBondContact O-N 3.45Å; L667-G669 VanDerWaalsContact C-N 3.31Å; L667-G669 PolarHBondContact O-N 2.9Å
668	R	25.1	Very low	26.8	Very low	242 Å²	242	145.1 Å²	145.1	91%	0.913	83%	0.834	S	S	*	*			trans	-73.1	76.2	-179.3	-162.7	175.5	-169.1	172	5.7	113.1	E666	E666-R668 PolarHBondContact O-N 3.26Å
669	G	27	Very low	26.8	Very low	68 Å²	68	144 Å²	144	70%	0.701	83%	0.834	S	S	*	*			trans	-62.7	133.5	172	0	0	0	0	0	112.5	L667	L667-G669 VanDerWaalsContact C-N 3.31Å; L667-G669 PolarHBondContact O-N 2.9Å
670	A	28.3	Very low	26.7	Very low	104 Å²	104	139.5 Å²	139.5	86%	0.86	82%	0.818	S	S	*	*			trans	-87	112.4	-179.4	0	0	0	0	0	111.7
671	A	28.5	Very low	26.9	Very low	102 Å²	102	141.4 Å²	141.4	84%	0.843	82%	0.821	S	S	*	*			trans	-79.8	141.7	169.5	0	0	0	0	0	111.2
672	K	27.7	Very low	27.1	Very low	207 Å²	207	142.2 Å²	142.2	90%	0.9	82%	0.821	S	S	*	*			trans	-151	104.6	174.7	-164.6	179.3	-173.1	-177.8	0	109.3
673	D	26.4	Very low	27.4	Very low	151 Å²	151	137.3 Å²	137.3	81%	0.807	81%	0.813	S	S	*	*			trans	-68.7	142.3	-173.6	-70.4	-56.5	0	0	0	113.9
674	H	26.7	Very low	27.4	Very low	198 Å²	198	135.8 Å²	135.8	92%	0.917	81%	0.813	S	S	*	*			trans	-149.8	150.5	142.7	-107.3	35	0	0	0	110.5
675	Q	26.1	Very low	27.6	Very low	199 Å²	199	137 Å²	137	93%	0.93	82%	0.816	S	S	*	*			trans	-86.3	155	-161.5	-68.3	169.4	-46.4	0	0	114.7
676	G	25.2	Very low	27.9	Very low	81 Å²	81	133.6 Å²	133.6	84%	0.835	81%	0.812	S	S	*	*			trans	-156.3	90.4	174.2	0	0	0	0	0	113.5
677	T	25.3	Very low	28.3	Very low	134 Å²	134	132.7 Å²	132.7	82%	0.822	81%	0.812	S	S	*	*			trans	-72.5	162.7	172.4	39.7	0	0	0	0	113
678	S	26.6	Very low	29.6	Very low	101 Å²	101	129.5 Å²	129.5	71%	0.706	80%	0.802	S	S	*	*			cis	-174.3	-169.2	3.5	39.6	0	0	0	0	111.1
679	V	26.9	Very low	29.8	Very low	138 Å²	138	125.8 Å²	125.8	84%	0.836	80%	0.796	S	S	*	*			trans	85.7	134	163.2	-177.9	0	0	0	0	114.3
680	S	29.1	Very low	29.9	Very low	94 Å²	94	127.3 Å²	127.3	66%	0.657	79%	0.792	S	S	*	*			cis	-145.2	155	24.3	50.7	0	0	0	0	116.5
681	S	30.1	Very low	30	Very low	104 Å²	104	128 Å²	128	73%	0.727	79%	0.786	S	S	*	*			trans	54.1	140.5	145.5	58.5	0	0	0	0	120.7
682	S	30.9	Very low	30.1	Very low	107 Å²	107	129.4 Å²	129.4	75%	0.748	78%	0.784	S	S	*	*			cis	177.6	159.3	3.7	41.9	0	0	0	0	108.6
683	S	30.8	Very low	30.2	Very low	106 Å²	106	123.7 Å²	123.7	74%	0.741	78%	0.775	S	S	*	*			cis	-178.2	168.9	-12.5	52.8	0	0	0	0	109.9
684	A	31.4	Very low	30.3	Very low	95 Å²	95	123.6 Å²	123.6	79%	0.785	78%	0.78	S	S	*	*			trans	76.2	145.3	163.1	0	0	0	0	0	117.7
685	V	31.6	Very low	30.4	Very low	140 Å²	140	118.3 Å²	118.3	85%	0.848	77%	0.771	S	S	*	*			cis	-157.4	143.6	-9.3	118.1	0	0	0	0	110.3
686	A	31.5	Very low	32	Very low	95 Å²	95	114.4 Å²	114.4	79%	0.785	76%	0.762	S	S	*	*			trans	158.6	152.2	146.6	0	0	0	0	0	111.6
687	N	32.7	Very low	32.9	Very low	158 Å²	158	116 Å²	116	85%	0.845	76%	0.758	S	S	*	*			trans	-148.7	176.9	-170.1	-123	-8.1	0	0	0	108.6
688	P	53.1	Low	33.2	Very low	96 Å²	96	114.3 Å²	114.3	62%	0.623	75%	0.752	S	S	*	*			cis	-124.2	-179	-14.4	35.6	-16	0	0	0	112.1
689	M	29.7	Very low	33.3	Very low	163 Å²	163	114.9 Å²	114.9	80%	0.803	75%	0.747	S	S	*	*				144.6	158.7	87.7	-127	172	174.2	0	0	107.2
690	T	30.3	Very low	33.3	Very low	100 Å²	100	115.4 Å²	115.4	61%	0.613	74%	0.738	S	S	*	*			cis	-155.7	121.9	-1.6	-20.1	0	0	0	0	111.6
691	T	29.6	Very low	33.1	Very low	120 Å²	120	118.8 Å²	118.8	74%	0.736	74%	0.743	S	S	*	*			trans	49.9	149.4	141.1	64.3	0	0	0	0	126.2
692	V	30.3	Very low	34	Very low	131 Å²	131	118.8 Å²	118.8	79%	0.794	74%	0.74	S	S	*	*			trans	82.7	87.7	157.7	-160.4	0	0	0	0	117.6
693	A	29.5	Very low	33.8	Very low	87 Å²	87	120.8 Å²	120.8	72%	0.719	74%	0.742	S	S	*	*				88.8	151.6	63.2	0	0	0	0	0	117.2
694	V	29.9	Very low	33.7	Very low	148 Å²	148	123.6 Å²	123.6	90%	0.897	75%	0.748	S	S	*	*			trans	80.9	145.6	171.4	-165.7	0	0	0	0	116.7
695	A	27.2	Very low	33.4	Very low	88 Å²	88	122.6 Å²	122.6	73%	0.727	75%	0.747	S	S	*	*			trans	-130.6	-149	-168.2	0	0	0	0	0	112.9
696	P	59.8	Low	33	Very low	116 Å²	116	127.1 Å²	127.1	75%	0.753	75%	0.749	S	S	*	*				-104.5	-169.4	-127.5	40.6	-24.3	0	0	0	113.9
697	P	46	Very low	32.8	Very low	116 Å²	116	126.2 Å²	126.2	75%	0.753	74%	0.741	S	S	*	*				-146.1	163.1	95	43	-25.5	0	0	0	113.4
698	S	30	Very low	32.5	Very low	98 Å²	98	126.7 Å²	126.7	69%	0.685	74%	0.738	S	S	*	*				59.8	139.3	91.6	-138.4	0	0	0	0	114.9
699	D	28.4	Very low	31.5	Very low	113 Å²	113	126.9 Å²	126.9	60%	0.604	74%	0.742	S	S	*	*			cis	-167.3	173.4	2.6	-135.7	-11.9	0	0	0	112.9
700	K	27.5	Very low	31.5	Very low	148 Å²	148	124.7 Å²	124.7	64%	0.643	74%	0.737	S	S	*	*			trans	58.4	117.5	145.4	-74.2	178.7	-178.8	81.9	0	123.8
701	E	25.7	Very low	31.6	Very low	166 Å²	166	125.4 Å²	125.4	78%	0.776	74%	0.742	S	S	*	*				57.4	170.2	113.7	-66.7	-173.4	125.2	0	0	122.1
702	P	48.8	Very low	31.7	Very low	103 Å²	103	127.1 Å²	127.1	67%	0.669	74%	0.744	S	S	*	*			cis	-136	-161.8	-49.6	36.7	-17.7	0	0	0	113.2
703	L	25.3	Very low	31.9	Very low	150 Å²	150	127.3 Å²	127.3	79%	0.785	74%	0.739	S	S	*	*			trans	88.9	109.1	157.8	-64.1	165.1	0	0	0	121.9
704	L	29.2	Very low	31.9	Very low	165 Å²	165	126.4 Å²	126.4	86%	0.864	74%	0.738	S	S	*	*			trans	14	128	142.7	-69.1	91.5	0	0	0	121.4
705	G	24.9	Very low	32	Very low	73 Å²	73	129.8 Å²	129.8	75%	0.753	74%	0.735	S	S	*	*				128.4	100.9	104.6	0	0	0	0	0	119.8
706	R	24.4	Very low	32.2	Very low	236 Å²	236	131.8 Å²	131.8	89%	0.891	73%	0.733	S	S	*	*			trans	-169.6	138.4	146	-108.3	177.7	161.8	115.8	-3	108.3
707	A	26.1	Very low	30.9	Very low	76 Å²	76	133.3 Å²	133.3	63%	0.628	73%	0.734	S	S	*	*				62.8	142.6	89	0	0	0	0	0	113.1
708	E	27.8	Very low	30	Very low	168 Å²	168	131 Å²	131	79%	0.785	73%	0.732	S	S	*	*			cis	-165	164.5	14	-141.4	161.1	-116.6	0	0	110.2
709	S	30.7	Very low	29.8	Very low	99 Å²	99	134.7 Å²	134.7	69%	0.692	74%	0.735	S	S	*	*			trans	66.7	152.2	155	-61.7	0	0	0	0	118.5
710	T	30.9	Very low	29.7	Very low	117 Å²	117	136 Å²	136	72%	0.718	74%	0.738	S	S	*	*			cis	-156.6	146.5	-4	2.7	0	0	0	0	111.9
711	T	31.6	Very low	29.8	Very low	115 Å²	115	135.4 Å²	135.4	71%	0.706	74%	0.737	S	S	*	*			trans	14.1	145.5	139.8	57.5	0	0	0	0	121.4
712	M	32.5	Very low	29.8	Very low	157 Å²	157	135 Å²	135	77%	0.773	74%	0.735	S	S	*	*			cis	-144.1	147.2	20.1	-89.7	-142.6	179.1	0	0	110.8
713	L	32.9	Very low	28.8	Very low	135 Å²	135	137.1 Å²	137.1	71%	0.707	74%	0.741	S	S	*	*			cis	85.7	116.3	49.2	-166.8	169.2	0	0	0	112.4
714	G	31.1	Very low	28.8	Very low	67 Å²	67	138.8 Å²	138.8	69%	0.691	74%	0.742	S	S	*	*			cis	152	-163.4	-9.2	0	0	0	0	0	114.5
715	R	32	Very low	29.6	Very low	219 Å²	219	136 Å²	136	83%	0.826	73%	0.733	S	S	*	*			trans	77.1	149.6	156.5	-91.5	-179	174.9	-173.8	-1.4	119
716	L	29.6	Very low	29.6	Very low	130 Å²	130	141.6 Å²	141.6	68%	0.681	74%	0.737	S	S	*	*			cis	-141	142.4	11.1	-79	100.6	0	0	0	114.6
717	L	33.3	Very low	29.7	Very low	148 Å²	148	141.4 Å²	141.4	78%	0.775	74%	0.736	S	S	*	*			trans	52.7	157.3	140.2	-53.1	175.4	0	0	0	120.9	F719	L717-F719 HydrophobicContact CD2-CE2 4.24Å
718	G	26.7	Very low	29.6	Very low	69 Å²	69	142.1 Å²	142.1	71%	0.711	74%	0.736	S	S	*	*			cis	164.9	169.7	0.3	0	0	0	0	0	109.3
719	F	25.6	Very low	29.5	Very low	175 Å²	175	142.9 Å²	142.9	77%	0.768	74%	0.74	S	S	*	*			cis	-152.4	-117.6	-1.8	-129.6	-67	0	0	0	113.3	L717	L717-F719 HydrophobicContact CD2-CE2 4.24Å
720	Q	26.1	Very low	29.1	Very low	141 Å²	141	142.5 Å²	142.5	66%	0.659	74%	0.737	S	S	*	*			trans	-152	171.8	-162.8	-71.7	-179	-89.5	0	0	112.3
721	H	29.5	Very low	28.6	Very low	135 Å²	135	145.9 Å²	145.9	63%	0.625	74%	0.742	S	S	*	*			cis	-163.6	165	1.5	-131.1	-140.4	0	0	0	115.4
722	E	27.3	Very low	28.2	Very low	158 Å²	158	146.6 Å²	146.6	74%	0.738	74%	0.742	S	S	*	*			trans	58.6	144.5	140.5	-100	166.9	171.2	0	0	129.6
723	D	26.3	Very low	27.8	Very low	147 Å²	147	147.2 Å²	147.2	79%	0.786	75%	0.745	S	S	*	*			trans	100.7	156.4	135.5	-114.2	-26	0	0	0	127.5
724	K	26.1	Very low	27.3	Very low	185 Å²	185	144.2 Å²	144.2	80%	0.804	75%	0.746	S	S	*	*			trans	-123.5	-155.5	-166.1	-51.9	178.8	-179.9	174.1	0	112.1
725	P	46.1	Very low	27.1	Very low	105 Å²	105	149.6 Å²	149.6	68%	0.682	75%	0.753	S	S	*	*			cis	-143.2	-170.7	-14.5	44.5	-25.2	0	0	0	118.2
726	K	25.5	Very low	26.7	Very low	192 Å²	192	145.6 Å²	145.6	84%	0.835	75%	0.753	S	S	*	*			trans	93.5	106.9	146.6	-77.7	171.8	-175.8	170.5	0	125.2
727	R	25.4	Very low	26.5	Very low	232 Å²	232	142.4 Å²	142.4	88%	0.875	75%	0.751	S	S	*	*				78.5	123.7	113.3	-133.9	-166.5	-170.3	171.7	3.6	124.7
728	S	25.1	Very low	26.1	Very low	90 Å²	90	140.3 Å²	140.3	63%	0.629	76%	0.755	S	S	*	*				117.5	132.9	123.2	79.7	0	0	0	0	122.4
729	H	24.8	Very low	26.1	Very low	185 Å²	185	144.6 Å²	144.6	86%	0.856	77%	0.767	S	S	*	*			trans	60.2	158.3	152	-66.5	-54.1	0	0	0	120.2
730	S	22.5	Very low	26.1	Very low	91 Å²	91	142.7 Å²	142.7	64%	0.636	76%	0.76	S	S	*	*			cis	-172.7	144.9	-13.1	168.8	0	0	0	0	112.7
731	F	21.5	Very low	25.9	Very low	188 Å²	188	142.2 Å²	142.2	83%	0.825	77%	0.771	S	S	*	*			trans	60.3	118.3	152.2	-87.4	-118.7	0	0	0	124.4
732	D	23.1	Very low	25.7	Very low	130 Å²	130	146 Å²	146	70%	0.695	78%	0.78	S	S	*	*				91.2	151	109.2	-156	33.3	0	0	0	124.9
733	M	23.1	Very low	25.7	Very low	170 Å²	170	143.7 Å²	143.7	84%	0.837	78%	0.781	S	S	*	*			trans	60.4	123.6	161	-85.8	-76	175.3	0	0	122.7
734	G	23.7	Very low	25.7	Very low	71 Å²	71	141.3 Å²	141.3	73%	0.732	78%	0.776	S	S	*	*			trans	-173	145.1	165.9	0	0	0	0	0	113.1
735	H	25.4	Very low	25.8	Very low	181 Å²	181	141.5 Å²	141.5	84%	0.838	78%	0.78	S	S	*	*			trans	-162.5	174.2	-175	-156.2	62.5	0	0	0	114.7
736	V	24.6	Very low	25.5	Very low	135 Å²	135	141.8 Å²	141.8	82%	0.818	78%	0.782	S	S	*	*			trans	74	138.1	173.4	-167.7	0	0	0	0	115.1
737	G	25.5	Very low	25.5	Very low	63 Å²	63	145 Å²	145	65%	0.649	79%	0.789	S	S	*	*			cis	-167.2	151.6	-4.7	0	0	0	0	0	109.5
738	A	24.9	Very low	25.5	Very low	103 Å²	103	145.1 Å²	145.1	85%	0.851	79%	0.789	S	S	*	*				93.1	102.6	54.1	0	0	0	0	0	113.9
739	V	25.8	Very low	25.6	Very low	159 Å²	159	148 Å²	148	96%	0.964	80%	0.796	S	S	*	*			trans	-137.3	149.4	159.4	179.2	0	0	0	0	108
740	Q	25.8	Very low	25.6	Very low	135 Å²	135	143.9 Å²	143.9	63%	0.631	79%	0.788	S	S	*	*			trans	-153.3	147.4	-159.7	173.7	179.6	65.2	0	0	112.6	R742	Q740-R742 HydrophobicContact CG-CG 4.31Å
741	C	22	Very low	25.7	Very low	132 Å²	132	146.4 Å²	146.4	89%	0.892	80%	0.795	S	S	*	*			trans	-135.8	151.5	154.5	-81.5	0	0	0	0	111.2
742	R	25.4	Very low	26.2	Very low	214 Å²	214	144 Å²	144	81%	0.808	79%	0.789	S	S	*	*			trans	-133.4	177.9	-178.2	-69.8	174.8	158.3	179.2	-5.7	108.3	Q740	Q740-R742 HydrophobicContact CG-CG 4.31Å
743	S	27.2	Very low	26.3	Very low	109 Å²	109	148.7 Å²	148.7	76%	0.762	80%	0.797	S	S	*	*			cis	-140.9	-151	9.3	51.7	0	0	0	0	108.9
744	S	26.1	Very low	26.4	Very low	98 Å²	98	147.2 Å²	147.2	69%	0.685	80%	0.798	S	S	*	*			cis	-169.9	157.1	-3	33.3	0	0	0	0	106.8
745	Q	28.7	Very low	26.6	Very low	188 Å²	188	153.4 Å²	153.4	88%	0.879	81%	0.805	S	S	*	*			cis	-157.4	172.1	-9	-111.8	-173.5	-5.1	0	0	108.4
746	P	38.9	Very low	26.7	Very low	112 Å²	112	156.7 Å²	156.7	73%	0.727	81%	0.81	S	S	*	*			trans	-108.4	169.2	-154.7	40.9	-38.1	0	0	0	117.4
747	R	25.3	Very low	26.9	Very low	260 Å²	260	156.1 Å²	156.1	98%	0.981	81%	0.812	S	S	*	*			trans	-139.8	174.3	150.8	-76.1	-160.4	172.2	-170	-2.1	111.1
748	R	26	Very low	27.1	Very low	233 Å²	233	160.9 Å²	160.9	88%	0.879	82%	0.821	S	S	*	*			trans	-143.1	161.8	-163.4	-165.6	-172	-167.4	-167.2	5.6	110.5
749	I	26.9	Very low	27.2	Very low	151 Å²	151	162 Å²	162	77%	0.774	82%	0.823	S	S	*	*			trans	113.1	140.7	158.8	-60.1	162.8	0	0	0	117
750	S	25.9	Very low	27.5	Very low	99 Å²	99	159.7 Å²	159.7	69%	0.692	81%	0.809	S	S	*	*			trans	64.6	99.1	158.8	62.7	0	0	0	0	123.7
751	N	24.7	Very low	27.7	Very low	144 Å²	144	161.5 Å²	161.5	77%	0.77	82%	0.823	S	S	*	*				49.7	124.5	100.5	-78	28.2	0	0	0	124.3
752	I	30.4	Very low	28.2	Very low	137 Å²	137	158.2 Å²	158.2	70%	0.703	81%	0.811	S	S	*	*			trans	73.5	132.3	143.5	-46	152.3	0	0	0	118.4
753	W	25.6	Very low	28.6	Very low	228 Å²	228	156.6 Å²	156.6	86%	0.864	82%	0.815	S	S	*	*				158.3	102.9	124.1	-93.6	82.5	0	0	0	111.7
754	T	25.6	Very low	28.8	Very low	139 Å²	139	158 Å²	158	85%	0.853	81%	0.814	S	S	*	*			trans	-101.3	141.3	159.5	42	0	0	0	0	109.5
755	K	28.5	Very low	28.9	Very low	202 Å²	202	161.6 Å²	161.6	88%	0.878	82%	0.824	S	S	*	*			trans	-83.9	138.2	-172.7	-63.4	-179.8	179.4	179.3	0	112.2
756	R	27.4	Very low	28.9	Very low	250 Å²	250	160.5 Å²	160.5	94%	0.943	82%	0.819	S	S	*	*			trans	-116.9	150.2	145	-79.1	-168.3	174.3	-155	0.3	108.8
757	S	29.1	Very low	28.4	Very low	123 Å²	123	165.4 Å²	165.4	86%	0.86	82%	0.824	S	S	*	*			trans	-89.3	128	-179	47.7	0	0	0	0	111.6
758	L	29.6	Very low	28.5	Very low	163 Å²	163	159 Å²	159	85%	0.853	81%	0.81	S	S	*	*			trans	-89.3	153.1	166.3	-79.2	158.7	0	0	0	110.5	V760	L758-V760 HydrophobicContact CD2-CG2 4.11Å
759	S	26.2	Very low	28.6	Very low	125 Å²	125	154.7 Å²	154.7	87%	0.874	80%	0.804	S	S	*	*			trans	-139.2	114	153.5	-173.1	0	0	0	0	107.5
760	V	31.6	Very low	28.8	Very low	112 Å²	112	153 Å²	153	68%	0.679	81%	0.806	S	S	*	*			trans	-144.4	134.1	-177.1	175.4	0	0	0	0	107.5	L758	L758-V760 HydrophobicContact CD2-CG2 4.11Å
761	N	31.1	Very low	29.1	Very low	173 Å²	173	157.2 Å²	157.2	93%	0.925	81%	0.814	S	S	*	*			trans	-157.7	126.2	159.3	-96.3	-34.4	0	0	0	108.8
762	G	32.1	Very low	29.5	Very low	63 Å²	63	157.6 Å²	157.6	65%	0.649	82%	0.817	S	S	*	*			trans	-136.4	130.6	168.3	0	0	0	0	0	108
763	M	33.1	Very low	29.5	Very low	179 Å²	179	160 Å²	160	88%	0.882	83%	0.825	S	S	*	*			trans	-93.5	132.6	-177.2	-69.9	-175.8	-70.7	0	0	111
764	L	31.4	Very low	29.7	Very low	140 Å²	140	158.4 Å²	158.4	73%	0.733	82%	0.824	S	S	*	*			trans	-79.4	135.6	161.5	-72.8	162.4	0	0	0	108.5
765	L	29	Very low	30.6	Very low	172 Å²	172	156.8 Å²	156.8	90%	0.901	82%	0.816	S	S	*	*			trans	-113	129.9	166.7	-79.3	172.5	0	0	0	109
766	Q	29.1	Very low	30.5	Very low	165 Å²	165	154 Å²	154	77%	0.771	82%	0.816	S	S	*	*			trans	-92.6	134.8	177.6	-175.3	173.3	-26.4	0	0	109	D768	Q766-D768 PolarHBondContact NE2-OD1 3.39Å
767	Y	27.3	Very low	30.5	Very low	215 Å²	215	152 Å²	152	84%	0.843	81%	0.814	S	S	*	*			trans	-114.8	104.6	176.5	-169.9	-78	0	0	0	107.7
768	D	28.9	Very low	30.4	Very low	126 Å²	126	155.3 Å²	155.3	67%	0.674	82%	0.816	S	S	*	*			trans	-79.9	151.5	179.6	-70.3	-31.9	0	0	0	111.5	Q766	Q766-D768 PolarHBondContact NE2-OD1 3.39Å
769	D	27.4	Very low	30.3	Very low	142 Å²	142	153 Å²	153	76%	0.759	81%	0.814	S	S	*	*			trans	-144.4	102.4	173.5	-159.6	10.5	0	0	0	110
770	S	29.9	Very low	30.5	Very low	117 Å²	117	151.7 Å²	151.7	82%	0.818	81%	0.805	S	S	*	*	S	Bend	trans	67	153.5	176.1	64.5	0	0	0	0	119.8
771	E	33.2	Very low	30.6	Very low	186 Å²	186	151.7 Å²	151.7	87%	0.869	80%	0.797	S	S	*	*			trans	-66.7	138.3	-178.1	-56.7	163.3	137.8	0	0	110.4
772	D	33	Very low	30.7	Very low	153 Å²	153	154.6 Å²	154.6	82%	0.818	80%	0.796	S	S	*	*				-175.5	172.6	69.7	-140.5	-28	0	0	0	112.9
773	E	30.3	Very low	31	Very low	188 Å²	188	155.5 Å²	155.5	88%	0.879	79%	0.788	S	S	*	*			trans	63.9	157.8	170.2	-63.9	-154.1	137.5	0	0	121.9
774	K	29.9	Very low	31.2	Very low	193 Å²	193	154 Å²	154	84%	0.839	78%	0.781	S	S	*	*			trans	-129.3	171.4	-178	-100.1	-171.8	179.3	175.8	0	108.7
775	P	45.6	Very low	31.3	Very low	105 Å²	105	153.2 Å²	153.2	68%	0.682	77%	0.773	S	S	*	*			cis	-139.6	164.2	-34	38.4	-22.7	0	0	0	113.5
776	T	25.5	Very low	31.6	Very low	144 Å²	144	147.8 Å²	147.8	88%	0.883	75%	0.75	S	S	*	*			trans	-151.7	140.7	152.3	16.1	0	0	0	0	112
777	F	27.8	Very low	31.8	Very low	207 Å²	207	145.2 Å²	145.2	91%	0.908	75%	0.745	S	S	*	*			trans	-98.6	123.2	165.4	-98.3	-97.4	0	0	0	108.9
778	E	25.6	Very low	32	Very low	194 Å²	194	142.8 Å²	142.8	91%	0.907	75%	0.753	S	S	*	*			trans	-124.7	132.9	154.4	-84.5	-165	140.7	0	0	108.5
779	S	29.4	Very low	32.2	Very low	114 Å²	114	143.6 Å²	143.6	80%	0.797	76%	0.757	S	S	*	*			trans	-120.1	97.1	-171.5	61.4	0	0	0	0	112.3
780	S	30.3	Very low	32.4	Very low	98 Å²	98	143.7 Å²	143.7	69%	0.685	76%	0.756	S	S	*	*			trans	-177.3	98.7	147.7	56	0	0	0	0	112
781	E	33.4	Very low	32.6	Very low	111 Å²	111	145.2 Å²	145.2	52%	0.519	75%	0.753	S	S	.	*			trans	-114.2	106.5	156.3	-72.5	-169.5	159.9	0	0	108.1	P462 T464 H465	P462-E781 WeakPolarHBondContact CB-OE1 3.34Å; P462-E781 HydrophobicContact CG-CB 4.42Å; P462-E781 VanDerWaalsContact CG-CD 3.5Å; P462-E781 HydrophobicContact CG-CG 4.06Å; P462-E781 WeakPolarHBondContact CG-OE1 3.49Å; T464-E781 PolarHBondContact OG1-OE1 2.84Å; T464-E781 VanDerWaalsContact OG1-OE1 3.05Å; H465-E781 IonicContact CE1-OE2 3.35Å; H465-E781 PolarHBondContact CE1-OE2 3.27Å; H465-E781 VanDerWaalsContact CE1-OE2 3.27Å; H465-E781 IonicContact ND1-OE2 2.8Å
782	W	33.3	Very low	32.5	Very low	235 Å²	235	142.8 Å²	142.8	89%	0.89	75%	0.746	S	S	*	*			trans	-101	110.7	171.5	-71.3	95.3	0	0	0	108.5	M784	W782-M784 PolarHBondContact O-N 3.35Å
783	V	38.7	Very low	32.5	Very low	82 Å²	82	142.1 Å²	142.1	50%	0.497	74%	0.742	S	S	.	*			trans	-78	116	167.6	-179.7	0	0	0	0	107.7
784	M	37.3	Very low	32.6	Very low	148 Å²	148	139.1 Å²	139.1	73%	0.729	73%	0.732	S	S	*	*			trans	-87	126.9	165.8	-72.3	-163.4	-64.7	0	0	109.3	W782	W782-M784 PolarHBondContact O-N 3.35Å
785	E	32.7	Very low	32.8	Very low	122 Å²	122	135.2 Å²	135.2	57%	0.57	73%	0.725	S	S	*	*	B	Isolated β-bridge	trans	-109.7	130.5	172	-177.1	157.5	-116.5	0	0	108.1	R459	R459-E785 IonicContact CZ-OE1 2.72Å; R459-E785 IonicContact NE-OE1 3.27Å; R459-E785 PolarHBondContact NE-OE1 3.06Å; R459-E785 IonicContact NH2-OE1 2.66Å; R459-E785 PolarHBondContact NH2-OE1 3.39Å; R459-E785 IonicContact NH2-OE2 3.09Å
786	S	34.7	Very low	31.9	Very low	58 Å²	58	137.5 Å²	137.5	41%	0.406	73%	0.728	S	S	.	*			trans	-148.5	113.7	-176.2	-176.6	0	0	0	0	108.9	Y458	Y458-S786 VanDerWaalsContact CE1-O 3.31Å; Y458-S786 WeakPolarHBondContact CE1-O 3.41Å; Y458-S786 WeakPolarHBondContact OH-CB 3.25Å; Y458-S786 PolarHBondContact OH-OG 3.29Å
787	T	32.7	Very low	32.4	Very low	111 Å²	111	137 Å²	137	68%	0.681	72%	0.715	S	S	*	*			trans	-76.7	138.8	163.2	49.5	0	0	0	0	108.9
788	V	32.8	Very low	32.8	Very low	164 Å²	164	130.6 Å²	130.6	99%	0.994	70%	0.698	S	S	*	*			trans	-110.5	0	171.4	170.5	0	0	0	0	108.3	Y458	Y458-V788 HydrophobicContact CE1-CG2 3.8Å

Retrieved 788 of 788 residues in 1040 ms (Link to these results)

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